#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d s ILE 3 N 0.00 5.26 0.28 0.52 -0.00 -1.26 -5.05 121.20 120.95 3i9d s ILE 3 Ca 0.00 0.69 -0.30 0.00 -0.00 0.00 0.00 60.65 61.04 3i9d s ILE 3 Cb 0.00 -3.69 -0.10 0.00 -0.00 0.00 0.00 42.46 38.67 3i9d s ILE 3 CO 0.00 0.38 1.43 0.42 -0.00 0.00 0.00 174.94 177.17 3i9d s THR 4 N 0.42 2.57 0.07 8.37 -4.23 -1.26 -4.87 115.64 116.71 3i9d s THR 4 Ca 0.20 0.50 -0.14 0.00 -1.18 0.00 0.00 61.69 61.07 3i9d s THR 4 Cb -0.14 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 3i9d s THR 4 CO 0.06 0.09 0.79 0.29 -0.54 0.00 0.00 174.62 175.32 3i9d n LYS 5 N 1.83 -0.20 -0.13 3.99 5.02 -1.26 0.51 118.16 127.92 3i9d n LYS 5 Ca 0.05 0.78 0.10 0.00 -2.02 0.00 0.00 58.31 57.21 3i9d n LYS 5 Cb 0.40 -1.15 0.44 0.00 -0.02 0.00 0.00 35.03 34.70 3i9d n LYS 5 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3i9d h GLU 6 N 0.00 0.54 0.00 1.97 9.09 -1.97 0.55 114.58 124.76 3i9d h GLU 6 Ca 0.07 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3i9d h GLU 6 Cb 0.19 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 3i9d h GLU 6 CO -0.43 0.36 0.00 1.49 0.05 0.00 0.00 179.01 180.48 3i9d h GLU 7 N 0.56 0.00 0.00 1.06 4.81 -0.30 0.70 114.58 121.40 3i9d h GLU 7 Ca 0.30 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.16 3i9d h GLU 7 Cb 0.43 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 3i9d h GLU 7 CO -0.09 0.00 -2.35 0.36 -0.73 0.00 0.00 179.01 176.19 3i9d n LYS 8 N -2.87 0.68 0.03 1.92 2.85 0.29 -3.67 118.16 117.41 3i9d n LYS 8 Ca 0.00 0.02 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 3i9d n LYS 8 Cb 0.23 -1.54 -0.07 0.00 -0.65 0.00 0.00 35.03 33.00 3i9d n LYS 8 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 3i9d h GLN 9 N 0.00 -0.00 -0.88 -1.58 1.08 0.59 1.96 115.11 116.28 3i9d h GLN 9 Ca -0.54 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 56.88 3i9d h GLN 9 Cb 2.20 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 29.47 3i9d h GLN 9 CO 0.02 0.07 -0.03 -0.22 -0.95 0.00 0.00 178.83 177.73 3i9d h LYS 10 N -0.08 0.05 0.21 1.46 1.63 0.23 0.55 116.57 120.63 3i9d h LYS 10 Ca -0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3i9d h LYS 10 Cb 0.08 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 3i9d h LYS 10 CO 0.00 0.03 -0.10 0.28 -3.45 0.00 0.00 179.45 176.21 3i9d h VAL 11 N 0.05 0.68 -0.98 2.00 2.07 -1.26 0.20 116.25 119.01 3i9d h VAL 11 Ca 0.49 -1.00 0.22 0.00 0.82 0.00 0.00 66.70 67.23 3i9d h VAL 11 Cb 0.91 1.13 -0.19 0.00 -1.52 0.00 0.00 31.29 31.62 3i9d h VAL 11 CO -0.82 0.17 -0.17 -0.38 0.02 0.00 0.00 177.57 176.40 3i9d n ILE 12 N -4.97 -0.41 0.15 4.57 5.41 0.65 -0.26 119.36 124.50 3i9d n ILE 12 Ca -0.08 2.22 -0.12 0.00 1.00 0.00 0.00 62.75 65.78 3i9d n ILE 12 Cb 0.25 -3.12 -0.07 0.00 -0.71 0.00 0.00 39.64 35.99 3i9d n ILE 12 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3i9d h GLN 13 N 0.00 -0.42 0.00 0.38 4.20 0.00 -1.97 115.11 117.30 3i9d h GLN 13 Ca 0.51 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.25 3i9d h GLN 13 Cb 0.87 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.75 3i9d h GLN 13 CO -0.98 -0.10 0.72 1.49 -0.67 0.00 0.00 178.83 179.28 3i9d h GLU 14 N -0.93 0.00 0.00 1.46 4.57 0.26 0.63 114.58 120.56 3i9d h GLU 14 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3i9d h GLU 14 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3i9d h GLU 14 CO 0.07 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.09 3i9d n PHE 15 N -2.40 0.00 -1.35 0.92 3.01 0.15 -5.04 117.46 112.76 3i9d n PHE 15 Ca -0.01 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.10 3i9d n PHE 15 Cb 0.73 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.29 3i9d n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i9d n ALA 16 N -0.33 -0.14 1.23 4.37 0.00 0.21 -4.36 120.51 121.48 3i9d n ALA 16 Ca 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.38 3i9d n ALA 16 Cb 0.02 -2.14 0.38 0.00 0.00 0.00 0.00 19.45 17.70 3i9d n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i9d n ARG 17 N -2.00 0.75 0.00 0.00 5.12 -1.26 -4.93 116.66 114.34 3i9d n ARG 17 Ca 0.13 -0.44 0.00 0.00 -1.93 0.00 0.00 57.85 55.62 3i9d n ARG 17 Cb 0.49 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3i9d n ARG 17 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3i9d n PHE 18 N -0.74 0.00 -1.24 -1.55 1.16 -1.26 -5.08 117.46 108.75 3i9d n PHE 18 Ca 0.12 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.29 3i9d n PHE 18 Cb 0.34 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.20 3i9d n PHE 18 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3i9d n PRO 19 N -0.68 0.00 0.00 3.97 -0.02 -1.26 -2.11 135.00 134.90 3i9d n PRO 19 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i9d n PRO 19 Cb 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 3i9d n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9d n GLY 20 N 2.06 2.15 3.56 -1.23 0.00 -1.26 -4.97 105.19 105.49 3i9d n GLY 20 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3i9d n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i9d s ASP 21 N -2.99 4.62 -0.64 1.61 3.68 -0.90 -4.80 116.67 117.25 3i9d s ASP 21 Ca 0.00 0.09 -0.00 0.00 2.13 0.00 0.00 52.55 54.77 3i9d s ASP 21 Cb 0.00 -2.54 0.42 0.00 -1.45 0.00 0.00 42.92 39.35 3i9d s ASP 21 CO 0.00 -3.07 1.83 0.35 0.13 0.00 0.00 175.17 174.41 3i9d n THR 22 N 8.07 3.36 0.00 1.71 -2.24 -1.26 -4.65 114.28 119.27 3i9d n THR 22 Ca 0.38 -3.68 0.00 0.00 -2.27 0.00 0.00 64.05 58.48 3i9d n THR 22 Cb 0.48 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 3i9d n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9d n GLY 23 N -0.74 0.00 0.23 3.38 0.00 -1.26 -5.09 105.19 101.71 3i9d n GLY 23 Ca 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.56 3i9d n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i9d n SER 24 N 0.00 -0.49 -0.05 1.61 2.88 -1.26 -4.82 113.62 111.48 3i9d n SER 24 Ca 0.00 -0.80 -0.14 0.00 -1.33 0.00 0.00 58.87 56.60 3i9d n SER 24 Cb 0.00 -0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.28 3i9d n SER 24 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3i9d h THR 25 N -1.29 1.63 -0.73 2.46 2.02 -2.00 -3.01 112.91 111.98 3i9d h THR 25 Ca -0.03 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.26 3i9d h THR 25 Cb 0.08 2.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 3i9d h THR 25 CO 0.02 0.49 0.43 -0.33 0.37 0.00 0.00 175.52 176.49 3i9d h GLU 26 N -0.81 1.00 0.39 6.66 4.39 -1.94 -2.90 114.58 121.36 3i9d h GLU 26 Ca -0.00 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3i9d h GLU 26 Cb 0.80 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3i9d h GLU 26 CO 0.00 0.72 -0.31 0.28 -1.16 0.00 0.00 179.01 178.54 3i9d h VAL 27 N 1.00 0.00 -0.81 3.13 2.07 -1.76 -1.81 116.25 118.07 3i9d h VAL 27 Ca 0.26 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.92 3i9d h VAL 27 Cb -0.01 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.61 3i9d h VAL 27 CO -0.05 0.00 -0.32 1.56 0.02 0.00 0.00 177.57 178.79 3i9d h GLN 28 N -0.68 -0.06 0.07 1.57 4.20 -1.52 1.10 115.11 119.80 3i9d h GLN 28 Ca -0.05 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.68 3i9d h GLN 28 Cb 0.57 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 3i9d h GLN 28 CO 0.01 -0.04 -0.47 0.28 -0.67 0.00 0.00 178.83 177.94 3i9d h VAL 29 N -0.06 0.09 0.00 -0.54 2.07 -1.40 1.21 116.25 117.62 3i9d h VAL 29 Ca 0.32 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.82 3i9d h VAL 29 Cb 0.59 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3i9d h VAL 29 CO -0.85 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 176.61 3i9d h ALA 30 N -0.27 1.33 -0.03 1.67 0.00 -0.32 0.15 119.26 121.78 3i9d h ALA 30 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3i9d h ALA 30 Cb 0.71 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i9d h ALA 30 CO -0.29 0.17 -0.05 1.25 0.00 0.00 0.00 179.25 180.33 3i9d h LEU 31 N 0.00 0.11 0.63 0.00 5.85 0.32 -2.48 115.31 119.73 3i9d h LEU 31 Ca -0.00 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 3i9d h LEU 31 Cb 0.35 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.36 3i9d h LEU 31 CO 0.02 0.63 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.38 3i9d h LEU 32 N -0.42 -0.72 -0.60 2.25 3.38 0.19 -3.06 115.31 116.34 3i9d h LEU 32 Ca 0.00 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3i9d h LEU 32 Cb 0.61 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.46 3i9d h LEU 32 CO 0.01 -0.48 -0.28 0.41 0.09 0.00 0.00 178.44 178.20 3i9d n THR 33 N -4.48 -0.35 -0.34 0.22 -1.04 0.46 0.97 114.28 109.73 3i9d n THR 33 Ca -0.11 1.42 -0.11 0.00 -2.04 0.00 0.00 64.05 63.22 3i9d n THR 33 Cb 0.33 -1.83 -0.08 0.00 -1.82 0.00 0.00 70.33 66.93 3i9d n THR 33 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3i9d h LEU 34 N 0.00 -2.00 -0.10 -4.42 5.85 -1.33 0.11 115.31 113.41 3i9d h LEU 34 Ca 0.17 0.30 0.02 0.00 0.84 0.00 0.00 57.88 59.22 3i9d h LEU 34 Cb 0.32 0.88 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3i9d h LEU 34 CO -0.58 -0.28 -0.04 0.03 -0.34 0.00 0.00 178.44 177.23 3i9d h ARG 35 N -0.10 -0.02 -0.48 1.25 3.08 0.61 -1.76 114.38 116.96 3i9d h ARG 35 Ca 0.16 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.30 3i9d h ARG 35 Cb 0.48 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.43 3i9d h ARG 35 CO -0.85 -0.01 -0.23 0.82 -1.07 0.00 0.00 179.97 178.63 3i9d h ILE 36 N -0.02 0.34 0.00 2.04 2.04 0.30 0.63 117.51 122.84 3i9d h ILE 36 Ca 0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 3i9d h ILE 36 Cb 0.10 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3i9d h ILE 36 CO -0.12 0.00 -0.20 0.78 0.00 0.00 0.00 178.15 178.61 3i9d h ASN 37 N -0.12 0.00 1.36 1.72 -0.26 -0.65 1.28 115.58 118.91 3i9d h ASN 37 Ca 0.22 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.85 3i9d h ASN 37 Cb 0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 3i9d h ASN 37 CO -0.56 0.20 -0.56 0.03 -1.06 0.00 0.00 177.43 175.48 3i9d h ARG 38 N 0.00 0.00 0.00 0.81 2.47 0.35 -3.16 114.38 114.85 3i9d h ARG 38 Ca -0.00 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.52 3i9d h ARG 38 Cb 0.49 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 3i9d h ARG 38 CO 0.03 0.56 -1.16 1.25 0.56 0.00 0.00 179.97 181.21 3i9d h LEU 39 N 0.00 0.00 -0.91 3.04 6.46 0.10 -3.14 115.31 120.87 3i9d h LEU 39 Ca -0.01 -0.44 0.14 0.00 -0.12 0.00 0.00 57.88 57.45 3i9d h LEU 39 Cb 1.39 0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 41.18 3i9d h LEU 39 CO 0.07 1.39 -0.37 -0.24 -0.62 0.00 0.00 178.44 178.67 3i9d n SER 40 N -4.46 -0.62 0.12 1.25 2.88 0.43 0.22 113.62 113.45 3i9d n SER 40 Ca -0.29 1.58 -0.13 0.00 -1.33 0.00 0.00 58.87 58.71 3i9d n SER 40 Cb 0.62 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.67 3i9d n SER 40 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3i9d h GLU 41 N 0.00 -0.43 -0.88 -1.46 4.57 -1.70 -2.74 114.58 111.94 3i9d h GLU 41 Ca 0.30 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.62 3i9d h GLU 41 Cb 0.53 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.08 3i9d h GLU 41 CO -0.90 -0.29 -0.47 1.25 -1.18 0.00 0.00 179.01 177.42 3i9d h HIS 42 N -0.45 -1.44 -0.68 0.92 -0.00 -0.18 0.66 115.15 113.99 3i9d h HIS 42 Ca 0.02 0.11 0.14 0.00 -0.00 0.00 0.00 60.37 60.64 3i9d h HIS 42 Cb 0.45 0.75 -0.10 0.00 -0.00 0.00 0.00 27.41 28.51 3i9d h HIS 42 CO -0.20 -0.40 0.13 -0.07 -0.00 0.00 0.00 177.93 177.39 3i9d h LEU 43 N -0.07 -0.05 -0.66 0.26 3.38 -0.94 0.15 115.31 117.38 3i9d h LEU 43 Ca 0.23 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3i9d h LEU 43 Cb 0.52 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3i9d h LEU 43 CO -0.89 -0.04 0.25 0.29 0.09 0.00 0.00 178.44 178.14 3i9d n LYS 44 N -5.18 0.07 -0.12 1.13 5.02 0.22 -1.95 118.16 117.35 3i9d n LYS 44 Ca 0.12 0.50 -0.22 0.00 -2.02 0.00 0.00 58.31 56.69 3i9d n LYS 44 Cb 0.40 -1.97 -0.07 0.00 -0.02 0.00 0.00 35.03 33.37 3i9d n LYS 44 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i9d n VAL 45 N -1.86 1.52 -3.47 -0.18 0.31 0.48 -4.72 118.33 110.41 3i9d n VAL 45 Ca -0.01 -0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 63.71 3i9d n VAL 45 Cb 0.27 -2.06 -0.06 0.00 -0.91 0.00 0.00 33.84 31.08 3i9d n VAL 45 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3i9d s HIS 46 N -2.64 3.53 -0.58 3.52 3.76 -0.82 -4.92 115.29 117.14 3i9d s HIS 46 Ca -0.35 -2.03 0.24 0.00 -0.15 0.00 0.00 55.06 52.78 3i9d s HIS 46 Cb 0.11 -3.60 0.41 0.00 1.11 0.00 0.00 32.58 30.61 3i9d s HIS 46 CO 0.47 -0.96 1.43 0.87 -0.85 0.00 0.00 174.74 175.70 3i9d h LYS 47 N 7.94 0.00 -0.00 1.40 1.57 -1.73 -3.30 116.57 122.44 3i9d h LYS 47 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i9d h LYS 47 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3i9d h LYS 47 CO 0.81 0.00 -0.23 1.63 -0.57 0.00 0.00 179.45 181.10 3i9d n LYS 48 N -2.36 0.10 -2.38 3.15 4.76 -1.26 -4.63 118.16 115.53 3i9d n LYS 48 Ca 0.03 -0.04 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 3i9d n LYS 48 Cb 0.47 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 3i9d n LYS 48 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i9d s ASP 49 N -2.93 6.06 -0.07 4.39 2.15 -1.24 -4.74 116.67 120.29 3i9d s ASP 49 Ca 0.15 -1.41 -0.09 0.00 0.43 0.00 0.00 52.55 51.63 3i9d s ASP 49 Cb 0.19 -2.57 -0.29 0.00 -0.30 0.00 0.00 42.92 39.94 3i9d s ASP 49 CO 0.59 -1.93 0.59 0.45 -0.17 0.00 0.00 175.17 174.70 3i9d h HIS 50 N 9.85 0.62 -0.76 -5.34 3.86 -1.91 -3.23 115.15 118.24 3i9d h HIS 50 Ca 0.21 -0.45 0.17 0.00 -1.16 0.00 0.00 60.37 59.14 3i9d h HIS 50 Cb 0.98 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 29.30 3i9d h HIS 50 CO 1.28 1.69 0.13 0.45 0.86 0.00 0.00 177.93 182.34 3i9d h HIS 51 N 0.09 0.18 0.00 2.45 3.86 -2.00 1.76 115.15 121.50 3i9d h HIS 51 Ca -0.36 0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 58.86 3i9d h HIS 51 Cb 2.08 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.58 3i9d h HIS 51 CO 0.09 -0.16 -0.17 0.77 0.86 0.00 0.00 177.93 179.33 3i9d h SER 52 N 0.20 0.00 0.04 2.45 0.02 -1.97 -1.64 113.55 112.65 3i9d h SER 52 Ca 0.43 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.27 3i9d h SER 52 Cb 0.78 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3i9d h SER 52 CO -0.58 0.17 -0.36 -0.74 -1.14 0.00 0.00 176.83 174.18 3i9d h HIS 53 N 0.00 0.51 0.45 3.45 6.17 0.26 -2.41 115.15 123.57 3i9d h HIS 53 Ca -0.00 -0.13 -0.01 0.00 0.71 0.00 0.00 60.37 60.94 3i9d h HIS 53 Cb 0.52 -0.11 -0.02 0.00 2.52 0.00 0.00 27.41 30.31 3i9d h HIS 53 CO 0.00 0.74 -0.47 -0.09 0.71 0.00 0.00 177.93 178.82 3i9d h ARG 54 N 0.37 -0.90 -0.94 5.26 2.43 -0.04 -0.23 114.38 120.34 3i9d h ARG 54 Ca 0.04 0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.44 3i9d h ARG 54 Cb 0.81 0.20 -0.16 0.00 -0.42 0.00 0.00 29.97 30.40 3i9d h ARG 54 CO 0.07 -0.60 -0.31 0.41 -1.51 0.00 0.00 179.97 178.03 3i9d n GLY 55 N -1.54 -1.79 0.41 2.80 0.00 -1.05 -0.80 105.19 103.23 3i9d n GLY 55 Ca -0.11 1.04 -0.15 0.00 0.00 0.00 0.00 46.02 46.80 3i9d n GLY 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i9d h LEU 56 N 0.00 -1.26 -0.98 0.99 5.85 -0.61 -1.51 115.31 117.79 3i9d h LEU 56 Ca 0.38 0.12 0.28 0.00 0.84 0.00 0.00 57.88 59.50 3i9d h LEU 56 Cb 0.62 0.44 -0.14 0.00 0.37 0.00 0.00 40.66 41.95 3i9d h LEU 56 CO -0.95 -0.51 0.53 -0.07 -0.34 0.00 0.00 178.44 177.09 3i9d h LEU 57 N -0.74 0.50 0.60 2.25 3.38 0.42 0.39 115.31 122.11 3i9d h LEU 57 Ca -0.03 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3i9d h LEU 57 Cb 0.69 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.56 3i9d h LEU 57 CO -0.15 -0.05 -0.29 0.24 0.09 0.00 0.00 178.44 178.28 3i9d h MET 58 N 0.40 -0.78 -0.87 1.13 2.86 -0.65 0.18 114.93 117.20 3i9d h MET 58 Ca 0.67 0.05 0.23 0.00 -2.06 0.00 0.00 59.70 58.60 3i9d h MET 58 Cb 1.43 0.18 -0.15 0.00 0.06 0.00 0.00 31.60 33.12 3i9d h MET 58 CO -0.56 -0.52 0.14 0.52 1.06 0.00 0.00 176.91 177.55 3i9d h MET 59 N -0.90 0.13 -0.63 1.72 2.86 -0.30 0.59 114.93 118.41 3i9d h MET 59 Ca -0.08 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3i9d h MET 59 Cb 0.62 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 3i9d h MET 59 CO 0.14 0.09 0.34 0.28 1.06 0.00 0.00 176.91 178.82 3i9d h VAL 60 N 0.14 0.97 0.62 -2.22 2.07 0.03 -2.58 116.25 115.28 3i9d h VAL 60 Ca 0.53 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 3i9d h VAL 60 Cb 1.06 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3i9d h VAL 60 CO -0.71 0.12 -0.30 1.23 0.02 0.00 0.00 177.57 177.93 3i9d h GLY 61 N 0.64 -0.87 -0.65 2.17 0.00 0.33 -3.15 103.07 101.54 3i9d h GLY 61 Ca 0.28 0.32 0.13 0.00 0.00 0.00 0.00 47.33 48.06 3i9d h GLY 61 CO -0.18 -0.32 -0.35 -1.61 0.00 0.00 0.00 176.54 174.09 3i9d h GLN 62 N -0.86 -0.09 -0.70 4.80 5.75 -1.00 -0.53 115.11 122.48 3i9d h GLN 62 Ca -0.09 0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.57 3i9d h GLN 62 Cb 0.65 0.02 -0.12 0.00 1.07 0.00 0.00 27.48 29.10 3i9d h GLN 62 CO 0.14 -0.06 0.04 -0.09 -2.65 0.00 0.00 178.83 176.21 3i9d h ARG 63 N -0.09 0.13 -0.18 1.69 2.43 -1.42 0.54 114.38 117.48 3i9d h ARG 63 Ca 0.28 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.28 3i9d h ARG 63 Cb 0.57 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3i9d h ARG 63 CO -0.81 0.09 -0.59 -0.09 -1.51 0.00 0.00 179.97 177.06 3i9d h ARG 64 N 0.14 0.58 -0.69 0.20 1.12 -1.35 0.90 114.38 115.27 3i9d h ARG 64 Ca 0.38 -0.39 0.05 0.00 -1.11 0.00 0.00 59.98 58.92 3i9d h ARG 64 Cb 0.65 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.62 3i9d h ARG 64 CO -0.59 1.00 0.46 -0.09 -3.11 0.00 0.00 179.97 177.64 3i9d h ARG 65 N 0.43 0.73 0.03 0.20 2.43 0.78 0.26 114.38 119.24 3i9d h ARG 65 Ca -0.00 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3i9d h ARG 65 Cb 1.15 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3i9d h ARG 65 CO 0.11 0.48 -0.46 -0.07 -1.51 0.00 0.00 179.97 178.52 3i9d h LEU 66 N 0.75 0.10 -1.87 3.80 4.07 0.43 -3.33 115.31 119.26 3i9d h LEU 66 Ca 0.29 -0.90 0.09 0.00 0.08 0.00 0.00 57.88 57.44 3i9d h LEU 66 Cb 0.20 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 3i9d h LEU 66 CO -0.09 1.20 0.29 -0.07 -1.08 0.00 0.00 178.44 178.68 3i9d h LEU 67 N -0.85 0.14 -1.81 1.67 3.38 0.12 0.32 115.31 118.28 3i9d h LEU 67 Ca -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3i9d h LEU 67 Cb 1.22 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3i9d h LEU 67 CO -0.01 0.09 -0.12 -0.09 0.09 0.00 0.00 178.44 178.39 3i9d h ARG 68 N 0.16 0.00 0.00 1.13 2.43 -0.61 0.46 114.38 117.95 3i9d h ARG 68 Ca 0.19 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3i9d h ARG 68 Cb 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3i9d h ARG 68 CO -0.03 0.12 -0.05 -0.92 -1.51 0.00 0.00 179.97 177.59 3i9d h TYR 69 N 0.00 0.00 -0.14 2.20 3.20 -0.54 -1.55 116.97 120.13 3i9d h TYR 69 Ca -0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3i9d h TYR 69 Cb 0.39 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3i9d h TYR 69 CO 0.00 0.40 0.23 1.25 -1.64 0.00 0.00 178.16 178.40 3i9d h LEU 70 N -1.00 0.00 0.00 2.82 5.85 -1.00 0.67 115.31 122.65 3i9d h LEU 70 Ca -0.01 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 3i9d h LEU 70 Cb 0.41 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3i9d h LEU 70 CO -0.00 0.00 -1.66 1.67 -0.34 0.00 0.00 178.44 178.10 3i9d n GLN 71 N -3.49 0.64 0.20 1.25 7.27 0.13 -2.64 117.38 120.74 3i9d n GLN 71 Ca 0.01 0.13 -0.13 0.00 0.07 0.00 0.00 57.00 57.07 3i9d n GLN 71 Cb 0.33 -1.72 -0.07 0.00 2.41 0.00 0.00 30.24 31.19 3i9d n GLN 71 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3i9d h ARG 72 N 0.00 -0.51 -0.02 3.69 2.43 0.11 -3.25 114.38 116.83 3i9d h ARG 72 Ca -0.21 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3i9d h ARG 72 Cb 1.62 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 3i9d h ARG 72 CO 0.04 -0.20 0.00 0.39 -1.51 0.00 0.00 179.97 178.69 3i9d n GLU 73 N -5.18 1.22 -2.74 0.20 -0.58 0.17 -4.62 120.64 109.11 3i9d n GLU 73 Ca -0.10 -0.33 -0.03 0.00 -0.42 0.00 0.00 57.16 56.28 3i9d n GLU 73 Cb 0.29 -1.43 0.02 0.00 -0.57 0.00 0.00 31.44 29.75 3i9d n GLU 73 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3i9d s ASP 74 N -1.84 -0.93 0.00 1.62 -1.08 -1.08 -4.99 116.67 108.38 3i9d s ASP 74 Ca 0.39 -1.07 0.01 0.00 -0.52 0.00 0.00 52.55 51.36 3i9d s ASP 74 Cb 0.19 1.21 0.07 0.00 -1.46 0.00 0.00 42.92 42.93 3i9d s ASP 74 CO 0.31 -0.04 0.37 -0.81 0.52 0.00 0.00 175.17 175.52 3i9d n PRO 75 N 2.86 0.07 0.00 4.34 -0.04 -1.23 -2.83 135.00 138.18 3i9d n PRO 75 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3i9d n PRO 75 Cb 0.60 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 3i9d n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i9d n GLU 76 N -0.77 0.00 0.00 0.54 4.07 -1.26 -4.54 120.64 118.68 3i9d n GLU 76 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 3i9d n GLU 76 Cb 0.00 -0.02 0.00 0.00 -0.06 0.00 0.00 31.44 31.36 3i9d n GLU 76 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3i9d n ARG 77 N -1.47 0.00 0.05 5.31 1.85 -1.24 -0.64 116.66 120.52 3i9d n ARG 77 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 3i9d n ARG 77 Cb 0.00 -1.01 -0.04 0.00 -1.05 0.00 0.00 32.46 30.37 3i9d n ARG 77 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 3i9d h TYR 78 N 0.00 -0.22 -0.64 2.89 3.20 -1.75 -1.63 116.97 118.82 3i9d h TYR 78 Ca 0.00 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.97 3i9d h TYR 78 Cb 0.00 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.26 3i9d h TYR 78 CO 0.00 -0.01 0.22 0.00 -1.64 0.00 0.00 178.16 176.73 3i9d h ARG 79 N -1.03 0.37 0.00 1.82 3.08 -1.13 0.83 114.38 118.33 3i9d h ARG 79 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i9d h ARG 79 Cb 0.31 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3i9d h ARG 79 CO 0.04 0.25 0.00 0.00 -1.07 0.00 0.00 179.97 179.19 3i9d n ALA 80 N -2.50 -0.07 -0.28 0.04 0.00 -1.12 0.12 120.51 116.71 3i9d n ALA 80 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.61 3i9d n ALA 80 Cb 0.31 0.38 0.31 0.00 0.00 0.00 0.00 19.45 20.45 3i9d n ALA 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i9d h LEU 81 N 0.00 0.78 -0.40 0.00 5.85 -0.94 0.33 115.31 120.93 3i9d h LEU 81 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3i9d h LEU 81 Cb 0.00 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3i9d h LEU 81 CO 0.00 0.46 0.17 -0.29 -0.34 0.00 0.00 178.44 178.44 3i9d h ILE 82 N 0.86 1.19 -0.01 4.05 2.10 0.26 -2.67 117.51 123.30 3i9d h ILE 82 Ca 0.41 -0.58 -0.04 0.00 1.08 0.00 0.00 64.86 65.73 3i9d h ILE 82 Cb 0.42 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 3i9d h ILE 82 CO -0.17 0.21 -0.16 -0.08 -1.08 0.00 0.00 178.15 176.87 3i9d h GLU 83 N 0.50 0.13 -1.43 2.19 4.57 0.15 1.57 114.58 122.27 3i9d h GLU 83 Ca 0.13 -0.13 0.42 0.00 -1.18 0.00 0.00 59.36 58.60 3i9d h GLU 83 Cb 0.17 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 3i9d h GLU 83 CO -0.01 0.83 1.19 -0.22 -1.18 0.00 0.00 179.01 179.62 3i9d h LYS 84 N -0.52 0.00 0.00 1.92 1.63 -0.32 0.21 116.57 119.49 3i9d h LYS 84 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3i9d h LYS 84 Cb 0.88 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 3i9d h LYS 84 CO 0.03 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 177.31 3i9d n LEU 85 N -3.75 0.09 -2.77 5.20 4.77 -1.01 -5.07 117.00 114.46 3i9d n LEU 85 Ca 0.32 -0.53 -0.02 0.00 -0.03 0.00 0.00 56.01 55.75 3i9d n LEU 85 Cb 1.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.72 3i9d n LEU 85 CO 0.36 0.02 -0.37 0.61 -1.33 0.00 0.00 177.39 176.69 3i9d n GLY 86 N 0.88 -3.49 0.00 -0.72 0.00 0.53 -5.06 105.19 97.32 3i9d n GLY 86 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3i9d n GLY 86 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i9d n ILE 87 N 0.47 0.00 -2.84 -0.61 5.41 -0.68 -4.99 119.36 116.12 3i9d n ILE 87 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3i9d n ILE 87 Cb 0.13 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.06 3i9d n ILE 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i9d n ARG 88 N 0.00 -1.19 0.00 0.38 5.12 -1.26 -5.00 116.66 114.71 3i9d n ARG 88 Ca 0.00 1.13 0.00 0.00 -1.93 0.00 0.00 57.85 57.05 3i9d n ARG 88 Cb 0.00 -0.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 3i9d n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11