#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s ASN 9 N 0.00 5.06 -0.48 0.55 6.03 -1.26 -5.09 114.94 119.75 3i8h s ASN 9 Ca 0.00 -0.37 0.03 0.00 -1.03 0.00 0.00 52.86 51.49 3i8h s ASN 9 Cb 0.00 -0.35 0.13 0.00 -3.03 0.00 0.00 41.25 38.01 3i8h s ASN 9 CO 0.00 -1.31 0.24 -0.22 -2.03 0.00 0.00 177.10 173.78 3i8h s LEU 10 N -4.77 3.59 0.40 3.54 2.96 -1.26 -4.98 118.68 118.16 3i8h s LEU 10 Ca 0.60 -2.80 0.00 0.00 -0.22 0.00 0.00 54.13 51.71 3i8h s LEU 10 Cb -0.08 -1.37 0.01 0.00 0.50 0.00 0.00 46.19 45.25 3i8h s LEU 10 CO 0.39 -0.25 0.81 0.28 -1.32 0.00 0.00 176.35 176.26 3i8h h SER 11 N 6.66 0.00 0.39 3.68 0.02 -2.05 0.70 113.55 122.95 3i8h h SER 11 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3i8h h SER 11 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3i8h h SER 11 CO 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.28 3i8h n ALA 12 N -1.31 1.42 0.04 3.77 0.00 -1.26 -1.89 120.51 121.29 3i8h n ALA 12 Ca -0.00 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.53 3i8h n ALA 12 Cb 0.80 -1.27 0.14 0.00 0.00 0.00 0.00 19.45 19.11 3i8h n ALA 12 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i8h n LEU 13 N -1.95 0.13 -0.35 0.00 -0.00 0.25 -1.55 117.00 113.53 3i8h n LEU 13 Ca 0.01 0.51 0.25 0.00 -0.00 0.00 0.00 56.01 56.78 3i8h n LEU 13 Cb 0.13 -0.51 0.53 0.00 -0.00 0.00 0.00 43.42 43.57 3i8h n LEU 13 CO 0.13 -0.55 1.21 0.50 -0.00 0.00 0.00 177.39 178.68 3i8h h LYS 14 N 0.00 0.33 0.00 1.47 3.64 -1.62 0.96 116.57 121.34 3i8h h LYS 14 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3i8h h LYS 14 Cb 0.15 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3i8h h LYS 14 CO 0.00 0.22 0.46 0.00 -2.27 0.00 0.00 179.45 177.86 3i8h h ARG 15 N 0.34 0.00 0.04 1.90 2.47 -1.57 -0.81 114.38 116.75 3i8h h ARG 15 Ca 0.65 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 59.36 3i8h h ARG 15 Cb 1.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.03 3i8h h ARG 15 CO -0.34 0.00 -0.02 1.25 0.56 0.00 0.00 179.97 181.42 3i8h h HIS 16 N 0.00 -0.06 -0.96 3.04 2.76 0.71 -0.78 115.15 119.87 3i8h h HIS 16 Ca 0.00 -0.00 0.29 0.00 -2.20 0.00 0.00 60.37 58.46 3i8h h HIS 16 Cb 0.93 0.02 -0.15 0.00 1.55 0.00 0.00 27.41 29.76 3i8h h HIS 16 CO 0.00 -0.03 0.44 0.00 -1.30 0.00 0.00 177.93 177.04 3i8h h ARG 17 N -0.89 0.27 -0.18 5.26 3.08 -1.27 0.98 114.38 121.63 3i8h h ARG 17 Ca -0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3i8h h ARG 17 Cb 0.05 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3i8h h ARG 17 CO 0.01 0.18 -0.24 0.37 -1.07 0.00 0.00 179.97 179.22 3i8h h GLN 18 N 0.28 0.47 -1.00 0.04 4.15 -1.51 -2.97 115.11 114.56 3i8h h GLN 18 Ca 0.67 -0.27 0.31 0.00 0.77 0.00 0.00 58.65 60.13 3i8h h GLN 18 Cb 1.47 0.02 -0.15 0.00 0.21 0.00 0.00 27.48 29.04 3i8h h GLN 18 CO -0.63 0.86 0.58 1.03 -1.93 0.00 0.00 178.83 178.74 3i8h h SER 19 N 0.12 0.54 0.40 -0.69 0.87 0.25 -2.01 113.55 113.02 3i8h h SER 19 Ca 0.02 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 3i8h h SER 19 Cb 0.80 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3i8h h SER 19 CO 0.06 -0.11 -0.19 -0.07 -0.53 0.00 0.00 176.83 175.98 3i8h h LEU 20 N 0.35 -0.46 -0.94 2.23 3.38 -0.92 -2.87 115.31 116.09 3i8h h LEU 20 Ca 0.73 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.99 3i8h h LEU 20 Cb 1.63 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 42.34 3i8h h LEU 20 CO -0.59 -0.14 0.27 0.11 0.09 0.00 0.00 178.44 178.18 3i8h h LYS 21 N -0.92 0.14 -0.38 1.13 1.57 -1.27 0.42 116.57 117.27 3i8h h LYS 21 Ca -0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3i8h h LYS 21 Cb 0.42 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3i8h h LYS 21 CO 0.09 0.09 0.20 0.00 -0.57 0.00 0.00 179.45 179.26 3i8h h ARG 22 N 0.15 0.54 -0.39 3.15 3.08 -1.46 0.14 114.38 119.59 3i8h h ARG 22 Ca 0.63 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.60 3i8h h ARG 22 Cb 1.38 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 3i8h h ARG 22 CO -0.73 0.46 0.19 -0.09 -1.07 0.00 0.00 179.97 178.73 3i8h h ARG 23 N 0.48 0.55 0.06 0.04 2.43 -0.33 -0.94 114.38 116.68 3i8h h ARG 23 Ca 0.13 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3i8h h ARG 23 Cb 0.09 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3i8h h ARG 23 CO -0.02 0.48 -0.34 1.25 -1.51 0.00 0.00 179.97 179.83 3i8h h LEU 24 N 0.49 -1.04 0.01 3.80 7.12 0.10 0.37 115.31 126.15 3i8h h LEU 24 Ca 0.13 0.11 0.03 0.00 0.13 0.00 0.00 57.88 58.28 3i8h h LEU 24 Cb 0.11 0.38 -0.05 0.00 -0.53 0.00 0.00 40.66 40.57 3i8h h LEU 24 CO -0.02 -0.36 -0.40 0.03 -0.13 0.00 0.00 178.44 177.56 3i8h h ARG 25 N -0.48 -0.54 0.00 1.25 3.08 -0.61 -1.65 114.38 115.43 3i8h h ARG 25 Ca -0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i8h h ARG 25 Cb 0.49 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3i8h h ARG 25 CO -0.19 -0.36 0.00 0.27 -1.07 0.00 0.00 179.97 178.61 3i8h n ASN 26 N -5.45 0.00 0.12 7.04 2.04 -0.37 -2.60 115.26 116.04 3i8h n ASN 26 Ca -0.06 -0.54 -0.19 0.00 -0.44 0.00 0.00 54.58 53.35 3i8h n ASN 26 Cb 0.36 -0.12 -0.15 0.00 -2.53 0.00 0.00 39.78 37.35 3i8h n ASN 26 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3i8h h LYS 27 N 0.00 0.38 0.19 -3.83 3.11 0.71 -3.19 116.57 113.94 3i8h h LYS 27 Ca 0.00 -0.64 -0.01 0.00 -2.81 0.00 0.00 60.65 57.19 3i8h h LYS 27 Cb 0.11 0.24 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 3i8h h LYS 27 CO 0.00 1.30 -0.09 0.00 -2.81 0.00 0.00 179.45 177.85 3i8h h ALA 28 N 0.41 -0.25 -0.04 5.00 0.00 -1.22 -2.92 119.26 120.24 3i8h h ALA 28 Ca -0.19 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3i8h h ALA 28 Cb 2.05 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.94 3i8h h ALA 28 CO 0.23 -0.26 0.21 1.57 0.00 0.00 0.00 179.25 181.00 3i8h h LYS 29 N -1.03 0.00 0.10 0.00 2.10 -1.72 -1.06 116.57 114.95 3i8h h LYS 29 Ca -0.03 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3i8h h LYS 29 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 3i8h h LYS 29 CO 0.04 0.00 -0.05 -0.22 -2.00 0.00 0.00 179.45 177.22 3i8h h LYS 30 N 0.00 -0.13 -0.45 0.07 1.63 -1.57 -2.69 116.57 113.42 3i8h h LYS 30 Ca 0.02 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 3i8h h LYS 30 Cb 0.43 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3i8h h LYS 30 CO -0.00 0.35 0.14 0.66 -3.45 0.00 0.00 179.45 177.15 3i8h h SER 31 N -0.71 0.61 -0.09 4.20 4.64 -1.02 -2.77 113.55 118.42 3i8h h SER 31 Ca -0.01 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3i8h h SER 31 Cb 0.54 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3i8h h SER 31 CO 0.02 0.58 -0.08 0.00 -0.87 0.00 0.00 176.83 176.49 3i8h h ALA 32 N 1.51 -0.01 -0.51 5.18 0.00 -1.34 0.69 119.26 124.78 3i8h h ALA 32 Ca 0.15 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.19 3i8h h ALA 32 Cb 0.20 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 3i8h h ALA 32 CO -0.01 -0.54 -0.38 0.82 0.00 0.00 0.00 179.25 179.14 3i8h h ILE 33 N -0.09 0.14 0.21 0.00 1.08 -1.19 0.16 117.51 117.81 3i8h h ILE 33 Ca 0.06 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.54 3i8h h ILE 33 Cb 0.18 0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 34.03 3i8h h ILE 33 CO -0.14 0.00 -0.53 0.11 -0.69 0.00 0.00 178.15 176.90 3i8h h LYS 34 N -0.24 -0.79 -0.91 2.37 1.57 -1.26 1.28 116.57 118.59 3i8h h LYS 34 Ca 0.19 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.13 3i8h h LYS 34 Cb 0.56 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.97 3i8h h LYS 34 CO -0.63 -0.52 0.54 1.79 -0.57 0.00 0.00 179.45 180.06 3i8h h THR 35 N -0.82 0.89 -0.17 -0.16 1.35 -0.25 0.59 112.91 114.34 3i8h h THR 35 Ca -0.02 -0.30 -0.21 0.00 -0.55 0.00 0.00 66.41 65.34 3i8h h THR 35 Cb 0.79 -0.05 0.01 0.00 -1.73 0.00 0.00 68.15 67.17 3i8h h THR 35 CO -0.24 0.16 -0.72 -0.07 -0.25 0.00 0.00 175.52 174.39 3i8h h LEU 36 N 0.86 0.89 -0.68 3.87 -0.00 -0.20 -0.09 115.31 119.96 3i8h h LEU 36 Ca 0.45 -0.56 0.05 0.00 -0.00 0.00 0.00 57.88 57.82 3i8h h LEU 36 Cb 0.47 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 40.81 3i8h h LEU 36 CO -0.27 1.35 0.39 0.28 -0.00 0.00 0.00 178.44 180.19 3i8h h SER 37 N 0.54 0.60 0.03 -0.43 0.02 0.29 -2.77 113.55 111.84 3i8h h SER 37 Ca -0.04 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3i8h h SER 37 Cb 1.34 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 3i8h h SER 37 CO 0.15 0.40 -0.04 0.11 -1.14 0.00 0.00 176.83 176.31 3i8h h LYS 38 N 0.74 -0.07 -0.65 3.45 1.57 0.49 -3.08 116.57 119.02 3i8h h LYS 38 Ca 0.30 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.18 3i8h h LYS 38 Cb 0.14 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.36 3i8h h LYS 38 CO -0.16 -0.05 -0.25 1.63 -0.57 0.00 0.00 179.45 180.05 3i8h n LYS 39 N -2.50 -0.15 0.00 3.15 5.02 -0.08 -1.12 118.16 122.49 3i8h n LYS 39 Ca -0.01 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 3i8h n LYS 39 Cb 0.03 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3i8h n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8h n ALA 40 N -3.66 -0.23 -0.21 7.82 0.00 -1.06 -1.48 120.51 121.69 3i8h n ALA 40 Ca 0.07 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.77 3i8h n ALA 40 Cb 0.26 0.25 0.67 0.00 0.00 0.00 0.00 19.45 20.63 3i8h n ALA 40 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3i8h h ILE 41 N 0.00 0.57 -0.18 0.00 3.07 -1.20 0.56 117.51 120.33 3i8h h ILE 41 Ca 0.00 -0.04 0.03 0.00 1.55 0.00 0.00 64.86 66.40 3i8h h ILE 41 Cb 0.00 0.44 -0.02 0.00 -0.27 0.00 0.00 36.82 36.97 3i8h h ILE 41 CO 0.00 0.02 0.02 -0.61 -1.05 0.00 0.00 178.15 176.53 3i8h h GLN 42 N 0.11 0.08 0.00 0.16 5.75 -0.32 -2.13 115.11 118.76 3i8h h GLN 42 Ca 0.46 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.95 3i8h h GLN 42 Cb 1.62 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 30.15 3i8h h GLN 42 CO -0.06 0.05 -0.18 -0.07 -2.65 0.00 0.00 178.83 175.92 3i8h h LEU 43 N 0.08 0.00 0.24 -2.39 3.38 0.81 -2.65 115.31 114.79 3i8h h LEU 43 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i8h h LEU 43 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i8h h LEU 43 CO -0.12 0.02 -0.11 0.00 0.09 0.00 0.00 178.44 178.31 3i8h h ALA 44 N 1.98 -0.32 -0.13 1.53 0.00 0.34 0.58 119.26 123.23 3i8h h ALA 44 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3i8h h ALA 44 Cb 1.01 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3i8h h ALA 44 CO 0.00 -0.45 -0.29 0.37 0.00 0.00 0.00 179.25 178.88 3i8h h GLN 45 N -0.78 0.25 0.00 0.00 -0.00 -1.53 -1.90 115.11 111.15 3i8h h GLN 45 Ca -0.03 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.65 58.47 3i8h h GLN 45 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 3i8h h GLN 45 CO 0.05 0.53 -0.25 1.49 0.00 0.00 0.00 178.83 180.65 3i8h h GLU 46 N 0.22 0.00 -3.08 1.69 4.81 -1.31 -3.49 114.58 113.43 3i8h h GLU 46 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3i8h h GLU 46 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 3i8h h GLU 46 CO 0.05 0.25 -0.03 0.41 -0.73 0.00 0.00 179.01 178.96 3i8h n GLY 47 N -0.79 -2.58 2.73 1.92 0.00 0.20 -5.02 105.19 101.65 3i8h n GLY 47 Ca -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 3i8h n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8h n LYS 48 N -0.04 1.44 0.00 1.61 4.76 -1.07 -5.01 118.16 119.85 3i8h n LYS 48 Ca 0.00 -2.45 0.00 0.00 -2.87 0.00 0.00 58.31 52.99 3i8h n LYS 48 Cb 0.00 -0.64 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 3i8h n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i8h n ALA 49 N -0.83 0.00 0.23 7.82 0.00 -1.26 -1.40 120.51 125.06 3i8h n ALA 49 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 3i8h n ALA 49 Cb 0.84 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 3i8h n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3i8h h GLU 50 N 0.00 -0.53 -0.39 0.00 4.11 -1.93 -2.11 114.58 113.74 3i8h h GLU 50 Ca 0.00 0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.58 3i8h h GLU 50 Cb 0.00 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3i8h h GLU 50 CO 0.00 -0.28 0.29 1.05 0.07 0.00 0.00 179.01 180.14 3i8h h GLU 51 N -0.69 0.00 0.20 1.06 4.11 -1.63 0.81 114.58 118.45 3i8h h GLU 51 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 3i8h h GLU 51 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3i8h h GLU 51 CO 0.09 0.00 -0.10 0.00 0.07 0.00 0.00 179.01 179.07 3i8h h ALA 52 N 1.79 -0.27 0.00 1.06 0.00 -1.43 -3.14 119.26 117.26 3i8h h ALA 52 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i8h h ALA 52 Cb 0.76 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3i8h h ALA 52 CO -0.00 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.23 3i8h n LEU 53 N -4.95 0.14 -0.13 0.00 4.77 -0.80 -2.19 117.00 113.84 3i8h n LEU 53 Ca -0.06 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 3i8h n LEU 53 Cb 0.21 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 3i8h n LEU 53 CO 0.18 0.04 -1.41 1.17 -1.33 0.00 0.00 177.39 176.04 3i8h n LYS 54 N -0.37 0.57 0.14 3.23 4.81 0.23 -3.87 118.16 122.90 3i8h n LYS 54 Ca 0.00 0.24 -0.14 0.00 -0.87 0.00 0.00 58.31 57.54 3i8h n LYS 54 Cb 0.04 -1.46 -0.08 0.00 0.02 0.00 0.00 35.03 33.55 3i8h n LYS 54 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3i8h h ILE 55 N -0.86 0.81 -0.88 3.15 1.08 -1.47 -1.05 117.51 118.29 3i8h h ILE 55 Ca -0.67 -0.17 0.17 0.00 -0.39 0.00 0.00 64.86 63.81 3i8h h ILE 55 Cb 1.62 0.91 -0.17 0.00 -3.07 0.00 0.00 36.82 36.12 3i8h h ILE 55 CO -0.38 0.04 -0.24 -0.03 -0.69 0.00 0.00 178.15 176.85 3i8h h MET 56 N -0.38 -0.01 -0.49 2.37 4.05 -1.67 0.83 114.93 119.64 3i8h h MET 56 Ca -0.03 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 3i8h h MET 56 Cb 0.29 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 3i8h h MET 56 CO 0.05 -0.00 0.24 -0.09 0.23 0.00 0.00 176.91 177.33 3i8h h ARG 57 N -0.01 0.71 -0.28 0.39 2.43 -1.57 -0.13 114.38 115.93 3i8h h ARG 57 Ca 0.41 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3i8h h ARG 57 Cb 0.64 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3i8h h ARG 57 CO -0.91 0.60 -0.07 -0.22 -1.51 0.00 0.00 179.97 177.86 3i8h h LYS 58 N 0.65 0.44 -0.09 0.20 1.63 0.16 -1.46 116.57 118.11 3i8h h LYS 58 Ca 0.17 -0.11 -0.23 0.00 -0.85 0.00 0.00 60.65 59.63 3i8h h LYS 58 Cb 0.12 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3i8h h LYS 58 CO -0.02 0.53 -0.85 0.00 -3.45 0.00 0.00 179.45 175.66 3i8h h ALA 59 N 1.51 0.31 -0.84 5.00 0.00 0.58 -2.45 119.26 123.36 3i8h h ALA 59 Ca 0.09 -0.64 0.08 0.00 0.00 0.00 0.00 54.91 54.44 3i8h h ALA 59 Cb 0.40 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3i8h h ALA 59 CO 0.02 0.71 0.51 1.49 0.00 0.00 0.00 179.25 181.97 3i8h h GLU 60 N 0.44 0.87 0.07 0.00 4.81 -0.56 -0.74 114.58 119.48 3i8h h GLU 60 Ca -0.07 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3i8h h GLU 60 Cb 1.48 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 3i8h h GLU 60 CO 0.17 0.58 -0.09 1.03 -0.73 0.00 0.00 179.01 179.97 3i8h h SER 61 N 0.90 -0.24 -0.92 1.04 0.87 -1.11 -2.65 113.55 111.43 3i8h h SER 61 Ca 0.38 0.02 0.30 0.00 -1.23 0.00 0.00 61.79 61.26 3i8h h SER 61 Cb 0.25 0.08 -0.17 0.00 -0.44 0.00 0.00 62.40 62.12 3i8h h SER 61 CO -0.20 -0.11 0.19 0.18 -0.53 0.00 0.00 176.83 176.35 3i8h n LEU 62 N -2.82 0.04 0.00 2.23 4.77 -0.85 -0.66 117.00 119.71 3i8h n LEU 62 Ca -0.02 1.56 0.00 0.00 -0.03 0.00 0.00 56.01 57.52 3i8h n LEU 62 Cb 0.08 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3i8h n LEU 62 CO 0.04 -1.64 0.45 -0.38 -1.33 0.00 0.00 177.39 174.54 3i8h n ILE 63 N -5.27 0.00 0.31 -0.08 5.41 -0.34 -1.31 119.36 118.08 3i8h n ILE 63 Ca 0.26 1.40 0.20 0.00 1.00 0.00 0.00 62.75 65.62 3i8h n ILE 63 Cb 0.88 -2.31 1.07 0.00 -0.71 0.00 0.00 39.64 38.57 3i8h n ILE 63 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3i8h h ASP 64 N 0.00 0.00 1.50 4.38 5.19 -1.27 0.16 116.42 126.37 3i8h h ASP 64 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i8h h ASP 64 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3i8h h ASP 64 CO 0.00 0.00 0.00 0.50 -3.12 0.00 0.00 179.24 176.62 3i8h h LYS 65 N 0.00 0.00 0.03 3.56 3.64 -0.54 -3.06 116.57 120.20 3i8h h LYS 65 Ca 0.00 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.99 3i8h h LYS 65 Cb 0.05 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3i8h h LYS 65 CO 0.00 0.00 -2.28 0.00 -2.27 0.00 0.00 179.45 174.90 3i8h n ALA 66 N -1.97 1.21 -0.03 5.00 0.00 0.43 -4.21 120.51 120.93 3i8h n ALA 66 Ca 0.03 -0.93 0.24 0.00 0.00 0.00 0.00 53.44 52.78 3i8h n ALA 66 Cb 0.42 -0.23 0.71 0.00 0.00 0.00 0.00 19.45 20.35 3i8h n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8h h ALA 67 N -0.21 2.45 -0.43 0.00 0.00 -1.18 -1.34 119.26 118.55 3i8h h ALA 67 Ca -0.55 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.42 3i8h h ALA 67 Cb 1.83 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.60 3i8h h ALA 67 CO -0.12 -0.93 0.02 0.87 0.00 0.00 0.00 179.25 179.09 3i8h h LYS 68 N 0.00 0.13 0.00 0.00 1.57 -1.70 -3.44 116.57 113.13 3i8h h LYS 68 Ca 0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3i8h h LYS 68 Cb 1.50 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3i8h h LYS 68 CO -0.00 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 3i8h n GLY 69 N -1.28 0.04 1.57 3.86 0.00 -0.50 -4.94 105.19 103.93 3i8h n GLY 69 Ca 0.04 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 3i8h n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i8h n SER 70 N -0.92 4.86 0.00 1.61 7.64 -1.26 -4.77 113.62 120.78 3i8h n SER 70 Ca 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.23 3i8h n SER 70 Cb 0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 3i8h n SER 70 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3i8h n THR 71 N 0.50 0.00 -1.64 0.44 -1.04 -1.26 -4.99 114.28 106.29 3i8h n THR 71 Ca 0.17 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.76 3i8h n THR 71 Cb 0.66 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.18 3i8h n THR 71 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3i8h n LEU 72 N 0.00 2.98 0.00 -4.42 0.00 -1.26 -4.91 117.00 109.39 3i8h n LEU 72 Ca 0.00 1.10 -0.09 0.00 0.00 0.00 0.00 56.01 57.02 3i8h n LEU 72 Cb 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 43.42 42.03 3i8h n LEU 72 CO 0.00 -1.13 0.31 1.57 0.00 0.00 0.00 177.39 178.15 3i8h n HIS 73 N -0.21 -1.78 -4.52 1.96 -0.00 -1.26 -3.12 115.22 106.30 3i8h n HIS 73 Ca 0.08 -1.60 0.00 0.00 0.46 0.00 0.00 57.72 56.66 3i8h n HIS 73 Cb 0.38 0.62 0.00 0.00 -0.12 0.00 0.00 29.99 30.87 3i8h n HIS 73 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i8h n LYS 74 N -0.43 0.00 -0.37 1.57 4.76 -1.26 -2.96 118.16 119.47 3i8h n LYS 74 Ca -0.04 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.36 3i8h n LYS 74 Cb 0.46 0.00 0.09 0.00 -1.84 0.00 0.00 35.03 33.74 3i8h n LYS 74 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3i8h n ASN 75 N -1.21 2.98 -0.09 4.39 6.94 -1.26 -3.70 115.26 123.31 3i8h n ASN 75 Ca 0.00 -2.44 -0.15 0.00 -0.02 0.00 0.00 54.58 51.97 3i8h n ASN 75 Cb 0.00 -0.59 -0.08 0.00 -2.36 0.00 0.00 39.78 36.75 3i8h n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i8h h ALA 76 N 2.08 0.14 -1.04 -2.53 0.00 -1.96 -2.44 119.26 113.52 3i8h h ALA 76 Ca 0.13 -0.86 0.27 0.00 0.00 0.00 0.00 54.91 54.44 3i8h h ALA 76 Cb 1.37 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.61 3i8h h ALA 76 CO 0.29 0.53 0.66 0.00 0.00 0.00 0.00 179.25 180.73 3i8h h ALA 77 N -0.63 2.14 -0.15 0.00 0.00 -1.70 0.97 119.26 119.90 3i8h h ALA 77 Ca -0.19 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3i8h h ALA 77 Cb 0.96 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3i8h h ALA 77 CO -0.12 -0.57 0.05 0.00 0.00 0.00 0.00 179.25 178.62 3i8h h ALA 78 N 1.65 0.19 0.00 0.00 0.00 -1.75 -1.42 119.26 117.93 3i8h h ALA 78 Ca 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3i8h h ALA 78 Cb 1.46 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i8h h ALA 78 CO -0.34 -0.20 -0.10 -0.09 0.00 0.00 0.00 179.25 178.52 3i8h h ARG 79 N 0.07 0.00 0.10 0.00 2.43 0.13 0.86 114.38 117.97 3i8h h ARG 79 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3i8h h ARG 79 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3i8h h ARG 79 CO -0.00 0.10 -0.05 0.00 -1.51 0.00 0.00 179.97 178.50 3i8h h ARG 80 N 0.00 -0.14 -0.18 0.20 2.47 0.03 -2.82 114.38 113.94 3i8h h ARG 80 Ca -0.00 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3i8h h ARG 80 Cb 0.22 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 3i8h h ARG 80 CO 0.01 0.36 0.06 0.87 0.56 0.00 0.00 179.97 181.83 3i8h h LYS 81 N -0.76 0.28 -0.87 0.04 1.57 -0.91 0.59 116.57 116.51 3i8h h LYS 81 Ca -0.01 -0.06 0.22 0.00 -1.87 0.00 0.00 60.65 58.93 3i8h h LYS 81 Cb 0.56 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.68 3i8h h LYS 81 CO 0.02 0.39 0.10 0.66 -0.57 0.00 0.00 179.45 180.05 3i8h h SER 82 N 0.12 -0.26 0.16 0.86 4.64 0.68 -0.57 113.55 119.18 3i8h h SER 82 Ca 0.06 0.22 -0.30 0.00 -0.47 0.00 0.00 61.79 61.30 3i8h h SER 82 Cb 0.22 0.36 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3i8h h SER 82 CO -0.00 -0.22 -1.49 0.03 -0.87 0.00 0.00 176.83 174.27 3i8h h ARG 83 N 0.11 0.35 0.00 4.77 3.08 -1.30 -2.83 114.38 118.56 3i8h h ARG 83 Ca 0.52 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3i8h h ARG 83 Cb 1.02 0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3i8h h ARG 83 CO -0.74 1.28 0.00 -0.11 -1.07 0.00 0.00 179.97 179.33 3i8h n LEU 84 N -3.79 0.00 0.14 3.04 -0.00 0.20 -0.43 117.00 116.16 3i8h n LEU 84 Ca -0.23 0.84 0.13 0.00 -0.00 0.00 0.00 56.01 56.75 3i8h n LEU 84 Cb 0.99 -0.34 0.47 0.00 -0.00 0.00 0.00 43.42 44.54 3i8h n LEU 84 CO 0.48 -0.34 0.88 0.00 -0.00 0.00 0.00 177.39 178.41 3i8h h MET 85 N 0.00 0.00 0.00 1.96 -0.00 -1.49 -1.37 114.93 114.03 3i8h h MET 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3i8h h MET 85 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3i8h h MET 85 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.91 176.82 3i8h h ARG 86 N 0.00 0.00 0.00 -0.10 2.43 -0.84 -3.11 114.38 112.76 3i8h h ARG 86 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i8h h ARG 86 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3i8h h ARG 86 CO 0.00 0.00 -0.66 1.17 -1.51 0.00 0.00 179.97 178.97 3i8h n LYS 87 N -3.06 0.35 -0.22 0.20 3.00 0.43 -4.23 118.16 114.63 3i8h n LYS 87 Ca -0.01 0.14 0.13 0.00 -0.00 0.00 0.00 58.31 58.57 3i8h n LYS 87 Cb 0.20 -1.10 0.25 0.00 0.00 0.00 0.00 35.03 34.38 3i8h n LYS 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i8h n VAL 88 N -3.87 -0.27 0.20 3.15 0.31 -0.82 0.19 118.33 117.23 3i8h n VAL 88 Ca -0.09 1.38 -0.15 0.00 -0.01 0.00 0.00 64.34 65.47 3i8h n VAL 88 Cb 0.34 -2.09 -0.08 0.00 -0.91 0.00 0.00 33.84 31.10 3i8h n VAL 88 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i8h h ARG 89 N 0.00 -0.43 -0.44 5.55 2.43 -1.79 0.15 114.38 119.84 3i8h h ARG 89 Ca 0.44 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3i8h h ARG 89 Cb 1.01 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3i8h h ARG 89 CO -0.57 -0.28 0.00 1.04 -1.51 0.00 0.00 179.97 178.65 3i8h n GLN 90 N -5.28 0.66 0.00 0.20 6.02 0.51 0.20 117.38 119.69 3i8h n GLN 90 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 3i8h n GLN 90 Cb 0.20 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3i8h n GLN 90 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i8h n LEU 91 N -0.05 0.00 -0.26 1.08 4.77 -0.56 -4.54 117.00 117.43 3i8h n LEU 91 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3i8h n LEU 91 Cb 0.11 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3i8h n LEU 91 CO 0.00 0.00 0.14 0.18 -1.33 0.00 0.00 177.39 176.38 3i8h n LEU 92 N -1.71 1.53 0.09 2.23 4.77 0.40 -3.87 117.00 120.45 3i8h n LEU 92 Ca 0.00 -0.64 0.13 0.00 -0.03 0.00 0.00 56.01 55.47 3i8h n LEU 92 Cb 0.31 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.76 3i8h n LEU 92 CO 0.00 0.31 0.78 -1.84 -1.33 0.00 0.00 177.39 175.31 3i8h n GLU 93 N -0.70 0.26 -2.44 3.23 0.00 0.54 -2.53 120.64 119.00 3i8h n GLU 93 Ca 0.07 0.18 -0.43 0.00 0.00 0.00 0.00 57.16 56.98 3i8h n GLU 93 Cb 0.40 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 30.07 3i8h n GLU 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i8h n ALA 94 N -1.79 5.24 0.00 -1.84 0.00 -1.25 -4.88 120.51 115.99 3i8h n ALA 94 Ca 0.05 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.14 3i8h n ALA 94 Cb 0.43 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 16.95 3i8h n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8h n ALA 95 N 3.76 0.00 -0.71 0.00 0.00 -1.25 -4.95 120.51 117.36 3i8h n ALA 95 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3i8h n ALA 95 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3i8h n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8h n GLY 96 N 0.00 0.23 0.00 0.00 0.00 -1.26 -4.83 105.19 99.33 3i8h n GLY 96 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3i8h n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h n ALA 97 N 1.41 -0.34 -0.42 4.61 0.00 -1.05 -4.63 120.51 120.08 3i8h n ALA 97 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3i8h n ALA 97 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 3i8h n ALA 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i8h n PRO 98 N 0.67 0.99 -0.31 0.00 -0.02 -1.26 -4.71 135.00 130.36 3i8h n PRO 98 Ca 0.00 -1.03 -0.08 0.00 -2.02 0.00 0.00 63.50 60.37 3i8h n PRO 98 Cb 0.00 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 3i8h n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i8h n LEU 99 N 5.08 2.02 0.00 2.45 7.99 -1.26 -4.25 117.00 129.03 3i8h n LEU 99 Ca 0.25 -1.71 0.00 0.00 -0.01 0.00 0.00 56.01 54.54 3i8h n LEU 99 Cb 0.11 -0.69 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 3i8h n LEU 99 CO 0.67 -0.34 0.00 0.00 -1.51 0.00 0.00 177.39 176.21 3i8h n ILE 100 N 4.32 0.00 0.23 -0.08 0.13 -1.26 -4.02 119.36 118.68 3i8h n ILE 100 Ca 0.18 0.00 0.10 0.00 -1.10 0.00 0.00 62.75 61.93 3i8h n ILE 100 Cb 0.09 0.00 0.26 0.00 -0.84 0.00 0.00 39.64 39.15 3i8h n ILE 100 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i8h n GLY 101 N -1.27 1.64 0.00 4.50 0.00 -1.26 -4.73 105.19 104.07 3i8h n GLY 101 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3i8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 102 N 1.42 0.00 1.37 -0.02 0.00 -1.26 -4.05 105.19 102.65 3i8h n GLY 102 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i8h n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 103 N -0.64 -0.88 3.53 -0.02 0.00 -1.25 -4.83 105.19 101.11 3i8h n GLY 103 Ca 0.00 0.20 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 3i8h n GLY 103 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i8h n LEU 104 N -2.03 0.97 -4.53 0.99 7.94 -1.26 -4.95 117.00 114.14 3i8h n LEU 104 Ca 0.00 1.13 -0.38 0.00 -1.11 0.00 0.00 56.01 55.64 3i8h n LEU 104 Cb 0.00 -1.20 -0.11 0.00 0.53 0.00 0.00 43.42 42.64 3i8h n LEU 104 CO 0.00 -1.93 -0.19 -0.94 -1.11 0.00 0.00 177.39 173.22 3i8h s SER 105 N -0.71 5.79 0.00 1.96 1.04 -1.26 -4.81 113.70 115.71 3i8h s SER 105 Ca 0.61 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.83 3i8h s SER 105 Cb -0.73 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.32 3i8h s SER 105 CO 0.59 -0.10 0.00 0.00 0.98 0.00 0.00 173.24 174.70