#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n ASN 9 N 0.00 3.14 0.00 6.15 3.02 -1.26 -5.15 115.26 121.16 3i9b n ASN 9 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3i9b n ASN 9 Cb 0.00 0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3i9b n ASN 9 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3i9b n LEU 10 N -2.33 -0.76 -2.08 3.41 -0.00 -1.26 -4.75 117.00 109.22 3i9b n LEU 10 Ca -0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.81 3i9b n LEU 10 Cb 0.74 0.91 -0.11 0.00 -0.00 0.00 0.00 43.42 44.97 3i9b n LEU 10 CO 0.15 0.00 1.23 -1.20 -0.00 0.00 0.00 177.39 177.58 3i9b n SER 11 N -0.99 3.77 -0.94 1.96 7.64 -1.26 -3.63 113.62 120.17 3i9b n SER 11 Ca 0.00 -2.18 0.09 0.00 1.01 0.00 0.00 58.87 57.79 3i9b n SER 11 Cb 0.00 -0.99 0.21 0.00 -1.01 0.00 0.00 64.21 62.41 3i9b n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i9b n ALA 12 N 2.52 2.31 0.07 -0.43 0.00 -1.26 -4.08 120.51 119.65 3i9b n ALA 12 Ca 0.27 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.50 3i9b n ALA 12 Cb 0.62 -0.66 -0.00 0.00 0.00 0.00 0.00 19.45 19.41 3i9b n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i9b h LEU 13 N 3.21 0.38 -1.25 0.00 3.38 -1.92 -2.70 115.31 116.41 3i9b h LEU 13 Ca 0.00 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3i9b h LEU 13 Cb 0.83 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3i9b h LEU 13 CO 0.00 1.06 -0.30 0.07 0.09 0.00 0.00 178.44 179.37 3i9b h LYS 14 N 0.18 0.12 -0.88 1.13 2.10 -1.90 0.79 116.57 118.12 3i9b h LYS 14 Ca -0.05 -0.04 0.06 0.00 -2.00 0.00 0.00 60.65 58.62 3i9b h LYS 14 Cb 1.45 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 32.71 3i9b h LYS 14 CO 0.14 0.41 0.55 0.00 -2.00 0.00 0.00 179.45 178.55 3i9b h ARG 15 N 0.11 0.97 0.39 0.07 2.47 -1.72 0.12 114.38 116.78 3i9b h ARG 15 Ca 0.02 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3i9b h ARG 15 Cb 0.59 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3i9b h ARG 15 CO 0.04 0.64 -0.19 1.25 0.56 0.00 0.00 179.97 182.28 3i9b h HIS 16 N 1.00 -0.48 -0.82 3.04 2.76 -1.12 -1.96 115.15 117.57 3i9b h HIS 16 Ca 0.39 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.74 3i9b h HIS 16 Cb 0.18 0.16 -0.12 0.00 1.55 0.00 0.00 27.41 29.18 3i9b h HIS 16 CO -0.03 -0.15 0.23 0.00 -1.30 0.00 0.00 177.93 176.68 3i9b h ARG 17 N -0.87 0.26 -0.13 5.26 3.08 -0.43 -0.31 114.38 121.24 3i9b h ARG 17 Ca -0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3i9b h ARG 17 Cb 0.54 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3i9b h ARG 17 CO 0.09 0.17 0.07 1.96 -1.07 0.00 0.00 179.97 181.19 3i9b h GLN 18 N 0.27 0.18 -1.01 0.04 4.20 -0.71 -2.73 115.11 115.34 3i9b h GLN 18 Ca 0.49 -0.02 0.24 0.00 0.06 0.00 0.00 58.65 59.42 3i9b h GLN 18 Cb 0.91 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.54 3i9b h GLN 18 CO -0.57 0.21 0.62 0.66 -0.67 0.00 0.00 178.83 179.08 3i9b h SER 19 N 0.11 0.62 -0.16 1.46 4.64 -0.27 0.43 113.55 120.38 3i9b h SER 19 Ca 0.05 0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 61.30 3i9b h SER 19 Cb 0.08 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3i9b h SER 19 CO -0.01 0.13 -0.53 -0.07 -0.87 0.00 0.00 176.83 175.49 3i9b h LEU 20 N 0.55 0.83 -2.01 5.97 3.38 -1.12 0.75 115.31 123.66 3i9b h LEU 20 Ca 0.61 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3i9b h LEU 20 Cb 1.25 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3i9b h LEU 20 CO -0.39 1.19 -0.07 0.11 0.09 0.00 0.00 178.44 179.37 3i9b h LYS 21 N 0.58 0.00 0.00 1.13 1.57 -0.73 -1.56 116.57 117.57 3i9b h LYS 21 Ca 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3i9b h LYS 21 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3i9b h LYS 21 CO 0.11 0.07 -0.00 0.00 -0.57 0.00 0.00 179.45 179.06 3i9b h ARG 22 N 0.00 -0.00 -0.99 3.15 2.47 -0.76 -2.77 114.38 115.47 3i9b h ARG 22 Ca -0.00 0.00 0.30 0.00 -1.26 0.00 0.00 59.98 59.02 3i9b h ARG 22 Cb 0.32 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.45 3i9b h ARG 22 CO 0.01 -0.00 0.11 -0.09 0.56 0.00 0.00 179.97 180.56 3i9b h ARG 23 N -0.43 0.01 0.47 0.04 2.43 -0.77 0.56 114.38 116.69 3i9b h ARG 23 Ca -0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3i9b h ARG 23 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i9b h ARG 23 CO 0.00 0.00 -0.23 1.25 -1.51 0.00 0.00 179.97 179.49 3i9b h LEU 24 N 0.01 -0.54 0.15 3.80 7.12 -1.43 -2.06 115.31 122.35 3i9b h LEU 24 Ca 0.64 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.62 3i9b h LEU 24 Cb 1.41 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.67 3i9b h LEU 24 CO -0.90 -0.32 -0.09 -0.09 -0.13 0.00 0.00 178.44 176.91 3i9b h ARG 25 N -0.72 -0.21 0.00 1.25 2.43 0.25 -2.95 114.38 114.43 3i9b h ARG 25 Ca -0.06 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3i9b h ARG 25 Cb 0.53 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3i9b h ARG 25 CO 0.11 -0.14 -0.02 -2.95 -1.51 0.00 0.00 179.97 175.45 3i9b h ASN 26 N -0.22 0.00 -0.39 -3.80 -0.00 -0.76 -1.64 115.58 108.77 3i9b h ASN 26 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.19 3i9b h ASN 26 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.49 3i9b h ASN 26 CO 0.02 0.02 -0.11 0.50 -0.00 0.00 0.00 177.43 177.86 3i9b h LYS 27 N 0.00 0.76 -0.47 4.14 3.11 -1.38 -0.25 116.57 122.48 3i9b h LYS 27 Ca -0.00 -0.30 0.09 0.00 -2.81 0.00 0.00 60.65 57.63 3i9b h LYS 27 Cb 0.20 -0.04 -0.09 0.00 -1.00 0.00 0.00 32.23 31.30 3i9b h LYS 27 CO 0.00 0.91 -0.10 0.00 -2.81 0.00 0.00 179.45 177.45 3i9b h ALA 28 N 0.83 0.34 -0.32 5.00 0.00 -1.11 -1.22 119.26 122.78 3i9b h ALA 28 Ca 0.10 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3i9b h ALA 28 Cb 0.64 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3i9b h ALA 28 CO 0.04 -0.44 -0.26 1.57 0.00 0.00 0.00 179.25 180.16 3i9b h LYS 29 N 0.02 0.74 -0.74 0.00 2.10 -1.52 -0.97 116.57 116.20 3i9b h LYS 29 Ca 0.23 -0.37 0.11 0.00 -2.00 0.00 0.00 60.65 58.62 3i9b h LYS 29 Cb 0.35 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.56 3i9b h LYS 29 CO -0.47 0.99 -0.41 0.87 -2.00 0.00 0.00 179.45 178.43 3i9b h LYS 30 N 0.51 -0.12 0.00 0.07 1.79 0.07 0.10 116.57 118.99 3i9b h LYS 30 Ca 0.06 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3i9b h LYS 30 Cb 0.83 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 3i9b h LYS 30 CO 0.07 -0.08 -0.10 0.66 -1.08 0.00 0.00 179.45 178.92 3i9b h SER 31 N -0.12 0.00 0.50 0.86 4.64 -1.28 -3.10 113.55 115.04 3i9b h SER 31 Ca 0.24 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 3i9b h SER 31 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3i9b h SER 31 CO -0.80 0.01 -0.47 0.00 -0.87 0.00 0.00 176.83 174.70 3i9b h ALA 32 N 2.27 1.20 -0.08 5.18 0.00 0.40 -2.53 119.26 125.70 3i9b h ALA 32 Ca 0.00 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 3i9b h ALA 32 Cb 0.87 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i9b h ALA 32 CO 0.00 0.58 -0.29 0.82 0.00 0.00 0.00 179.25 180.36 3i9b h ILE 33 N 0.00 1.41 0.96 0.00 1.08 -1.15 -3.19 117.51 116.63 3i9b h ILE 33 Ca -0.00 -1.66 -0.05 0.00 -0.39 0.00 0.00 64.86 62.76 3i9b h ILE 33 Cb 0.84 2.25 0.01 0.00 -3.07 0.00 0.00 36.82 36.85 3i9b h ILE 33 CO 0.06 0.48 -0.46 0.11 -0.69 0.00 0.00 178.15 177.65 3i9b h LYS 34 N -0.12 -1.25 0.00 2.37 1.57 -1.50 0.58 116.57 118.22 3i9b h LYS 34 Ca -0.01 0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3i9b h LYS 34 Cb 0.93 0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3i9b h LYS 34 CO 0.06 -0.83 0.00 0.25 -0.57 0.00 0.00 179.45 178.36 3i9b n THR 35 N -5.63 1.23 -0.05 -0.16 -2.24 -0.97 0.40 114.28 106.86 3i9b n THR 35 Ca -0.16 0.58 -0.15 0.00 -2.27 0.00 0.00 64.05 62.04 3i9b n THR 35 Cb 0.51 -1.55 -0.14 0.00 -2.10 0.00 0.00 70.33 67.05 3i9b n THR 35 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i9b n LEU 36 N -2.03 1.78 -0.10 3.22 -0.00 -1.07 -3.09 117.00 115.71 3i9b n LEU 36 Ca -0.00 0.13 -0.13 0.00 -0.00 0.00 0.00 56.01 56.01 3i9b n LEU 36 Cb 0.06 -0.44 -0.04 0.00 -0.00 0.00 0.00 43.42 43.00 3i9b n LEU 36 CO 0.09 0.69 0.55 0.28 -0.00 0.00 0.00 177.39 179.00 3i9b h SER 37 N 0.02 0.82 0.31 1.96 0.02 0.25 -2.39 113.55 114.54 3i9b h SER 37 Ca -0.45 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.00 3i9b h SER 37 Cb 2.04 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.35 3i9b h SER 37 CO 0.03 1.13 -0.15 0.11 -1.14 0.00 0.00 176.83 176.82 3i9b h LYS 38 N 0.52 -0.40 -1.12 3.45 1.57 -0.23 -2.53 116.57 117.83 3i9b h LYS 38 Ca 0.04 0.03 0.42 0.00 -1.87 0.00 0.00 60.65 59.27 3i9b h LYS 38 Cb 0.91 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.17 3i9b h LYS 38 CO 0.08 -0.27 0.68 1.17 -0.57 0.00 0.00 179.45 180.55 3i9b n LYS 39 N -3.39 -0.04 0.00 3.15 4.81 -1.18 -1.24 118.16 120.27 3i9b n LYS 39 Ca -0.05 1.20 0.00 0.00 -0.87 0.00 0.00 58.31 58.59 3i9b n LYS 39 Cb 0.16 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 32.93 3i9b n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i9b n ALA 40 N -2.44 -0.13 0.29 3.14 0.00 -0.90 -3.35 120.51 117.12 3i9b n ALA 40 Ca 0.36 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.85 3i9b n ALA 40 Cb 1.34 0.00 0.24 0.00 0.00 0.00 0.00 19.45 21.03 3i9b n ALA 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3i9b h ILE 41 N 0.00 0.00 0.21 0.00 3.07 -0.89 0.68 117.51 120.59 3i9b h ILE 41 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 3i9b h ILE 41 Cb 0.00 0.19 0.00 0.00 -0.27 0.00 0.00 36.82 36.75 3i9b h ILE 41 CO 0.00 0.00 -0.10 -0.61 -1.05 0.00 0.00 178.15 176.39 3i9b h GLN 42 N 0.00 -0.28 0.00 0.16 5.75 -1.23 -3.08 115.11 116.44 3i9b h GLN 42 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3i9b h GLN 42 Cb 1.46 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.08 3i9b h GLN 42 CO 0.00 0.05 0.36 -0.07 -2.65 0.00 0.00 178.83 176.52 3i9b h LEU 43 N -0.97 0.00 -0.17 -2.39 3.38 -0.86 0.37 115.31 114.67 3i9b h LEU 43 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 3i9b h LEU 43 Cb 0.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 3i9b h LEU 43 CO 0.05 0.00 -0.67 0.00 0.09 0.00 0.00 178.44 177.90 3i9b h ALA 44 N 1.26 0.31 0.00 1.53 0.00 -1.44 0.10 119.26 121.03 3i9b h ALA 44 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i9b h ALA 44 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3i9b h ALA 44 CO 0.00 0.61 0.00 0.94 0.00 0.00 0.00 179.25 180.80 3i9b n GLN 45 N -4.02 0.03 -0.09 0.00 7.27 0.13 -2.55 117.38 118.15 3i9b n GLN 45 Ca -0.07 0.24 -0.12 0.00 0.07 0.00 0.00 57.00 57.12 3i9b n GLN 45 Cb 0.69 -1.56 -0.15 0.00 2.41 0.00 0.00 30.24 31.64 3i9b n GLN 45 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 3i9b n GLU 46 N -1.61 0.68 -0.65 3.69 2.13 -1.05 -5.07 120.64 118.76 3i9b n GLU 46 Ca 0.04 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3i9b n GLU 46 Cb 0.21 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3i9b n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i9b n GLY 47 N 1.82 -0.99 2.71 8.31 0.00 -0.00 -5.04 105.19 111.99 3i9b n GLY 47 Ca -0.34 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 3i9b n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9b n LYS 48 N -0.05 1.30 0.00 1.61 4.76 -1.14 -4.96 118.16 119.68 3i9b n LYS 48 Ca 0.00 -2.53 0.00 0.00 -2.87 0.00 0.00 58.31 52.91 3i9b n LYS 48 Cb 0.00 -0.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 3i9b n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i9b n ALA 49 N -0.57 0.00 -1.00 7.82 0.00 -1.26 -0.42 120.51 125.08 3i9b n ALA 49 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3i9b n ALA 49 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 3i9b n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i9b n GLU 50 N -3.05 0.00 0.00 0.00 4.07 -1.26 -1.67 120.64 118.73 3i9b n GLU 50 Ca 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.13 3i9b n GLU 50 Cb 0.00 -0.75 0.14 0.00 -0.06 0.00 0.00 31.44 30.77 3i9b n GLU 50 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 3i9b n GLU 51 N -0.26 0.10 0.00 5.31 0.28 -0.98 -0.28 120.64 124.81 3i9b n GLU 51 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 3i9b n GLU 51 Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 3i9b n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i9b n ALA 52 N -1.20 -0.05 -0.22 -1.84 0.00 0.44 -3.63 120.51 114.01 3i9b n ALA 52 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 3i9b n ALA 52 Cb 0.04 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.61 3i9b n ALA 52 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i9b h LEU 53 N 0.00 0.27 -1.67 0.00 3.38 -0.89 -1.50 115.31 114.91 3i9b h LEU 53 Ca 0.00 0.08 0.49 0.00 0.09 0.00 0.00 57.88 58.54 3i9b h LEU 53 Cb 0.00 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.69 3i9b h LEU 53 CO 0.00 0.16 1.08 0.50 0.09 0.00 0.00 178.44 180.26 3i9b h LYS 54 N 0.45 0.03 0.00 1.13 3.64 -0.81 0.45 116.57 121.47 3i9b h LYS 54 Ca 0.32 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 3i9b h LYS 54 Cb 0.40 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3i9b h LYS 54 CO -0.31 0.02 -0.56 0.82 -2.27 0.00 0.00 179.45 177.15 3i9b h ILE 55 N 0.03 1.35 -1.25 2.00 1.08 -1.34 -3.25 117.51 116.13 3i9b h ILE 55 Ca 0.86 -2.23 0.36 0.00 -0.39 0.00 0.00 64.86 63.47 3i9b h ILE 55 Cb 3.06 2.76 -0.05 0.00 -3.07 0.00 0.00 36.82 39.52 3i9b h ILE 55 CO -0.25 0.46 0.90 -0.03 -0.69 0.00 0.00 178.15 178.54 3i9b h MET 56 N -1.00 0.00 0.00 2.37 1.85 0.02 0.16 114.93 118.33 3i9b h MET 56 Ca -0.15 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.94 3i9b h MET 56 Cb 1.11 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.14 3i9b h MET 56 CO -0.09 0.00 0.00 0.54 -0.40 0.00 0.00 176.91 176.96 3i9b n ARG 57 N -4.16 0.00 0.00 0.39 1.74 0.53 -0.97 116.66 114.19 3i9b n ARG 57 Ca 0.27 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 3i9b n ARG 57 Cb 1.31 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 3i9b n ARG 57 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3i9b n LYS 58 N -1.77 0.00 -0.09 5.56 0.00 -0.24 -1.14 118.16 120.48 3i9b n LYS 58 Ca 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 58.31 58.59 3i9b n LYS 58 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.41 3i9b n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9b h ALA 59 N 2.00 0.13 -0.38 3.14 0.00 -0.65 -3.17 119.26 120.33 3i9b h ALA 59 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 54.91 54.16 3i9b h ALA 59 Cb 0.00 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3i9b h ALA 59 CO 0.00 0.35 -0.14 1.49 0.00 0.00 0.00 179.25 180.96 3i9b h GLU 60 N -1.00 -0.06 -0.04 0.00 4.81 0.51 -1.25 114.58 117.55 3i9b h GLU 60 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3i9b h GLU 60 Cb 1.10 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3i9b h GLU 60 CO -0.10 -0.04 -0.04 1.03 -0.73 0.00 0.00 179.01 179.13 3i9b h SER 61 N -0.06 -0.13 -1.19 1.04 0.87 -1.43 0.28 113.55 112.94 3i9b h SER 61 Ca 0.19 0.02 0.34 0.00 -1.23 0.00 0.00 61.79 61.11 3i9b h SER 61 Cb 0.34 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 3i9b h SER 61 CO -0.42 -0.02 0.88 -0.07 -0.53 0.00 0.00 176.83 176.66 3i9b h LEU 62 N -0.02 0.00 0.21 2.23 3.38 -1.36 0.72 115.31 120.47 3i9b h LEU 62 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3i9b h LEU 62 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3i9b h LEU 62 CO -0.05 0.00 -0.10 0.40 0.09 0.00 0.00 178.44 178.78 3i9b h ILE 63 N 0.00 0.00 -0.08 1.22 2.04 0.19 -2.10 117.51 118.78 3i9b h ILE 63 Ca 0.56 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 66.35 3i9b h ILE 63 Cb 2.31 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3i9b h ILE 63 CO -0.01 0.00 0.36 0.44 0.00 0.00 0.00 178.15 178.94 3i9b h ASP 64 N -0.37 0.00 1.91 1.72 5.19 -0.54 0.72 116.42 125.05 3i9b h ASP 64 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3i9b h ASP 64 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3i9b h ASP 64 CO 0.05 0.00 -0.04 0.11 -3.12 0.00 0.00 179.24 176.24 3i9b h LYS 65 N 0.00 0.00 0.19 3.56 1.57 -0.74 -2.92 116.57 118.23 3i9b h LYS 65 Ca 0.04 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.50 3i9b h LYS 65 Cb 0.76 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.08 3i9b h LYS 65 CO -0.00 0.00 -1.46 0.00 -0.57 0.00 0.00 179.45 177.42 3i9b h ALA 66 N 2.06 0.02 0.36 3.86 0.00 0.12 -3.36 119.26 122.31 3i9b h ALA 66 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 54.91 53.94 3i9b h ALA 66 Cb 0.97 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i9b h ALA 66 CO 0.00 0.89 -0.17 0.00 0.00 0.00 0.00 179.25 179.97 3i9b h ALA 67 N 0.33 -0.48 0.00 0.00 0.00 -1.51 -2.64 119.26 114.95 3i9b h ALA 67 Ca -0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3i9b h ALA 67 Cb 2.08 0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.06 3i9b h ALA 67 CO 0.22 -0.66 0.39 0.36 0.00 0.00 0.00 179.25 179.57 3i9b n LYS 68 N -5.21 0.03 0.00 0.00 -0.00 -1.10 -3.74 118.16 108.14 3i9b n LYS 68 Ca -0.10 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 3i9b n LYS 68 Cb 0.26 -2.00 0.00 0.00 -0.00 0.00 0.00 35.03 33.30 3i9b n LYS 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9b n GLY 69 N -1.23 0.55 0.49 2.58 0.00 -1.00 -5.02 105.19 101.56 3i9b n GLY 69 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9b n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i9b n SER 70 N 0.00 0.00 0.00 1.61 3.41 -1.24 -4.89 113.62 112.51 3i9b n SER 70 Ca 0.00 -1.15 -0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3i9b n SER 70 Cb 0.00 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3i9b n SER 70 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i9b h THR 71 N 5.25 0.00 0.00 6.66 2.02 -1.81 -3.45 112.91 121.57 3i9b h THR 71 Ca 0.00 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 3i9b h THR 71 Cb 1.06 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3i9b h THR 71 CO 0.00 0.00 -1.38 -0.11 0.37 0.00 0.00 175.52 174.40 3i9b n LEU 72 N -2.09 1.90 0.00 2.58 0.00 -1.18 -5.02 117.00 113.20 3i9b n LEU 72 Ca -0.00 0.32 0.00 0.00 0.00 0.00 0.00 56.01 56.33 3i9b n LEU 72 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 43.42 42.68 3i9b n LEU 72 CO 0.00 -0.06 0.00 1.41 0.00 0.00 0.00 177.39 178.74 3i9b n HIS 73 N -4.36 -0.88 -1.10 1.96 8.25 -1.25 -4.84 115.22 113.00 3i9b n HIS 73 Ca -0.24 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.36 3i9b n HIS 73 Cb 0.60 0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.77 3i9b n HIS 73 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i9b n LYS 74 N -0.38 -2.20 0.00 -0.41 4.76 -1.26 -2.76 118.16 115.91 3i9b n LYS 74 Ca 0.00 1.48 0.00 0.00 -2.87 0.00 0.00 58.31 56.92 3i9b n LYS 74 Cb 0.00 -2.69 0.00 0.00 -1.84 0.00 0.00 35.03 30.50 3i9b n LYS 74 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3i9b n ASN 75 N -4.34 0.00 0.12 4.39 4.13 -1.26 0.99 115.26 119.29 3i9b n ASN 75 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 3i9b n ASN 75 Cb 0.63 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 38.94 3i9b n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i9b h ALA 76 N 1.59 0.72 -1.95 5.41 0.00 -1.88 -1.55 119.26 121.60 3i9b h ALA 76 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3i9b h ALA 76 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3i9b h ALA 76 CO 0.00 0.88 0.00 0.00 0.00 0.00 0.00 179.25 180.13 3i9b n ALA 77 N -2.35 -0.17 -0.51 0.00 0.00 0.28 -1.18 120.51 116.57 3i9b n ALA 77 Ca -0.00 0.00 0.42 0.00 0.00 0.00 0.00 53.44 53.85 3i9b n ALA 77 Cb 0.73 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.90 3i9b n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9b h ALA 78 N -2.00 3.17 0.47 0.00 0.00 -1.72 0.54 119.26 119.72 3i9b h ALA 78 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i9b h ALA 78 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i9b h ALA 78 CO 0.00 -1.72 -0.23 -0.09 0.00 0.00 0.00 179.25 177.22 3i9b h ARG 79 N 0.06 -0.61 -0.60 0.00 2.43 -1.18 0.13 114.38 114.60 3i9b h ARG 79 Ca 0.81 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 60.03 3i9b h ARG 79 Cb 2.88 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 32.54 3i9b h ARG 79 CO -0.20 -0.41 0.40 0.00 -1.51 0.00 0.00 179.97 178.25 3i9b h ARG 80 N -1.14 0.75 0.51 0.20 3.08 0.23 -2.50 114.38 115.50 3i9b h ARG 80 Ca -0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3i9b h ARG 80 Cb 0.49 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3i9b h ARG 80 CO 0.11 0.49 -0.33 -0.22 -1.07 0.00 0.00 179.97 178.95 3i9b h LYS 81 N 0.77 -0.77 0.00 0.04 3.64 0.04 -3.06 116.57 117.23 3i9b h LYS 81 Ca 0.23 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3i9b h LYS 81 Cb -0.02 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3i9b h LYS 81 CO -0.06 -0.51 0.00 -1.13 -2.27 0.00 0.00 179.45 175.48 3i9b n SER 82 N -4.46 0.00 -0.02 4.20 3.41 0.43 -2.41 113.62 114.77 3i9b n SER 82 Ca -0.10 0.81 -0.00 0.00 -0.26 0.00 0.00 58.87 59.32 3i9b n SER 82 Cb 0.34 -0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3i9b n SER 82 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i9b n ARG 83 N -1.89 -0.02 0.00 4.33 3.00 -0.96 0.18 116.66 121.30 3i9b n ARG 83 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 3i9b n ARG 83 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.34 3i9b n ARG 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3i9b n LEU 84 N -4.07 0.00 0.26 0.55 -0.00 -1.01 -0.15 117.00 112.58 3i9b n LEU 84 Ca 0.00 0.87 0.11 0.00 -0.00 0.00 0.00 56.01 56.99 3i9b n LEU 84 Cb 0.02 -0.37 0.72 0.00 -0.00 0.00 0.00 43.42 43.79 3i9b n LEU 84 CO -0.01 -0.37 1.02 0.00 -0.00 0.00 0.00 177.39 178.03 3i9b h MET 85 N 0.00 0.00 -0.07 1.96 -0.00 0.55 -0.44 114.93 116.93 3i9b h MET 85 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 3i9b h MET 85 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3i9b h MET 85 CO 0.00 0.08 0.05 -0.09 -0.00 0.00 0.00 176.91 176.95 3i9b h ARG 86 N 0.00 0.06 0.00 -0.10 2.43 0.28 -2.76 114.38 114.30 3i9b h ARG 86 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i9b h ARG 86 Cb 0.18 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3i9b h ARG 86 CO 0.01 0.04 0.00 1.17 -1.51 0.00 0.00 179.97 179.68 3i9b n LYS 87 N -4.53 0.00 -0.13 0.20 3.00 0.78 -4.16 118.16 113.33 3i9b n LYS 87 Ca -0.02 0.17 0.01 0.00 -0.00 0.00 0.00 58.31 58.48 3i9b n LYS 87 Cb 0.11 -0.62 0.04 0.00 0.00 0.00 0.00 35.03 34.56 3i9b n LYS 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i9b n VAL 88 N -2.07 -0.17 -0.26 3.15 0.31 -0.56 0.32 118.33 119.06 3i9b n VAL 88 Ca 0.00 0.84 -0.05 0.00 -0.01 0.00 0.00 64.34 65.12 3i9b n VAL 88 Cb 0.00 -1.14 0.06 0.00 -0.91 0.00 0.00 33.84 31.85 3i9b n VAL 88 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i9b h ARG 89 N 0.00 0.97 0.00 5.55 2.43 -1.72 0.06 114.38 121.67 3i9b h ARG 89 Ca 0.16 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3i9b h ARG 89 Cb 0.25 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3i9b h ARG 89 CO -0.37 0.67 0.00 0.94 -1.51 0.00 0.00 179.97 179.71 3i9b n GLN 90 N -4.54 0.55 -0.00 0.20 7.27 0.95 -1.89 117.38 119.91 3i9b n GLN 90 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3i9b n GLN 90 Cb 0.04 -1.15 -0.01 0.00 2.41 0.00 0.00 30.24 31.54 3i9b n GLN 90 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3i9b n LEU 91 N -0.65 0.01 -0.61 1.69 4.77 -0.05 -4.59 117.00 117.58 3i9b n LEU 91 Ca 0.04 -0.18 0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3i9b n LEU 91 Cb 0.02 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3i9b n LEU 91 CO 0.03 0.00 0.39 0.18 -1.33 0.00 0.00 177.39 176.66 3i9b n LEU 92 N -1.35 2.26 0.00 2.23 7.99 -0.79 -3.93 117.00 123.41 3i9b n LEU 92 Ca -0.00 -0.81 0.13 0.00 -0.01 0.00 0.00 56.01 55.32 3i9b n LEU 92 Cb 0.02 -0.00 0.62 0.00 -0.11 0.00 0.00 43.42 43.95 3i9b n LEU 92 CO 0.02 0.41 0.95 -1.84 -1.51 0.00 0.00 177.39 175.41 3i9b n GLU 93 N 0.31 0.10 -3.29 3.23 0.00 -1.09 -3.14 120.64 116.76 3i9b n GLU 93 Ca 0.10 0.02 -0.25 0.00 0.00 0.00 0.00 57.16 57.04 3i9b n GLU 93 Cb 0.50 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.37 3i9b n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i9b n ALA 94 N -1.45 3.28 0.00 -1.84 0.00 -1.25 -4.93 120.51 114.32 3i9b n ALA 94 Ca 0.08 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.42 3i9b n ALA 94 Cb 0.30 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3i9b n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9b n ALA 95 N 1.03 0.00 -3.02 0.00 0.00 -1.24 -4.90 120.51 112.39 3i9b n ALA 95 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.55 3i9b n ALA 95 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.93 3i9b n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9b n GLY 96 N 0.00 2.63 0.60 0.00 0.00 -1.23 -5.11 105.19 102.08 3i9b n GLY 96 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3i9b n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b n ALA 97 N 0.24 -1.00 -1.34 4.61 0.00 -1.19 -4.34 120.51 117.49 3i9b n ALA 97 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 3i9b n ALA 97 Cb 0.69 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 3i9b n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i9b n PRO 98 N -0.17 0.11 0.00 0.00 -0.02 -1.26 -4.77 135.00 128.89 3i9b n PRO 98 Ca 0.00 -0.59 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 3i9b n PRO 98 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3i9b n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i9b n LEU 99 N 11.08 0.85 -4.63 2.45 4.77 -1.26 -4.84 117.00 125.42 3i9b n LEU 99 Ca 0.32 0.03 -0.54 0.00 -0.03 0.00 0.00 56.01 55.79 3i9b n LEU 99 Cb 0.41 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3i9b n LEU 99 CO 0.65 0.00 1.05 -0.38 -1.33 0.00 0.00 177.39 177.38 3i9b n ILE 100 N -0.17 0.10 0.00 -0.08 -0.00 -1.26 -4.73 119.36 113.23 3i9b n ILE 100 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.73 3i9b n ILE 100 Cb 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 39.64 38.67 3i9b n ILE 100 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3i9b n GLY 101 N 3.08 0.00 0.18 7.39 0.00 -1.26 -4.42 105.19 110.16 3i9b n GLY 101 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3i9b n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 102 N 0.72 -0.27 0.00 -0.02 0.00 -1.26 -4.50 105.19 99.86 3i9b n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9b n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9b n GLY 103 N -1.12 0.90 0.00 -0.02 0.00 -1.26 -4.55 105.19 99.14 3i9b n GLY 103 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3i9b n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i9b n LEU 104 N 0.00 0.00 -3.24 0.99 7.94 -1.26 -5.08 117.00 116.35 3i9b n LEU 104 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 3i9b n LEU 104 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3i9b n LEU 104 CO 0.00 0.00 0.03 -0.94 -1.11 0.00 0.00 177.39 175.37 3i9b s SER 105 N 2.00 -0.85 0.00 1.96 1.04 -1.26 -5.17 113.70 111.41 3i9b s SER 105 Ca 0.00 -0.83 0.05 0.00 0.48 0.00 0.00 55.95 55.66 3i9b s SER 105 Cb 0.00 1.62 0.04 0.00 0.10 0.00 0.00 66.02 67.78 3i9b s SER 105 CO 0.00 -0.21 0.67 0.00 0.98 0.00 0.00 173.24 174.68