#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n LYS 19 N 0.00 0.00 -1.03 -0.14 0.00 -1.26 -4.52 118.16 111.21 3i9b n LYS 19 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 3i9b n LYS 19 Cb 0.00 -1.15 -0.09 0.00 -0.00 0.00 0.00 35.03 33.79 3i9b n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9b n ALA 20 N 0.66 6.33 -1.55 0.58 0.00 -1.26 -4.86 120.51 120.42 3i9b n ALA 20 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 53.44 51.08 3i9b n ALA 20 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.68 3i9b n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i9b n LYS 21 N 3.11 3.50 -3.65 0.00 5.02 -1.26 -4.81 118.16 120.07 3i9b n LYS 21 Ca 0.54 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3i9b n LYS 21 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 3i9b n LYS 21 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3i9b n VAL 22 N 0.00 0.00 0.00 -0.18 3.14 -1.26 -4.85 118.33 115.18 3i9b n VAL 22 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i9b n VAL 22 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i9b n VAL 22 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 3i9b n LYS 23 N -0.25 0.00 -0.00 1.45 2.85 -1.26 -3.93 118.16 117.01 3i9b n LYS 23 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 3i9b n LYS 23 Cb 0.00 -3.23 -0.08 0.00 -0.65 0.00 0.00 35.03 31.07 3i9b n LYS 23 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i9b n ALA 24 N 0.82 2.38 1.76 0.58 0.00 -1.26 -4.17 120.51 120.61 3i9b n ALA 24 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 53.44 53.29 3i9b n ALA 24 Cb 0.00 -0.35 0.56 0.00 0.00 0.00 0.00 19.45 19.66 3i9b n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i9b n THR 25 N -1.86 0.00 -4.17 0.00 -1.04 -1.25 -4.81 114.28 101.15 3i9b n THR 25 Ca -0.02 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.88 3i9b n THR 25 Cb 0.27 -0.40 -0.10 0.00 -1.82 0.00 0.00 70.33 68.28 3i9b n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i9b s LEU 26 N -1.67 1.70 0.00 -4.42 1.02 -1.26 -5.10 118.68 108.95 3i9b s LEU 26 Ca 0.28 -1.24 0.00 0.00 0.02 0.00 0.00 54.13 53.19 3i9b s LEU 26 Cb 0.13 0.27 0.00 0.00 0.02 0.00 0.00 46.19 46.61 3i9b s LEU 26 CO 0.22 -0.73 0.00 0.61 0.02 0.00 0.00 176.35 176.47 3i9b n GLY 27 N -0.15 2.73 3.61 -3.19 0.00 -1.26 -4.93 105.19 102.00 3i9b n GLY 27 Ca -0.04 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3i9b n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i9b s GLU 28 N 3.08 3.43 -0.07 1.61 -1.05 -1.26 -4.93 118.70 119.51 3i9b s GLU 28 Ca 0.00 1.83 -0.01 0.00 -0.15 0.00 0.00 54.97 56.64 3i9b s GLU 28 Cb 0.00 -4.23 0.03 0.00 -0.44 0.00 0.00 34.13 29.49 3i9b s GLU 28 CO 0.00 -1.76 -0.01 -0.59 0.95 0.00 0.00 175.26 173.86 3i9b s PHE 29 N 6.87 0.72 -0.62 4.83 -0.00 -1.26 -5.09 117.98 123.42 3i9b s PHE 29 Ca 0.87 -0.20 -0.27 0.00 -0.00 0.00 0.00 56.93 57.33 3i9b s PHE 29 Cb -0.29 -0.81 -0.01 0.00 -0.00 0.00 0.00 43.02 41.91 3i9b s PHE 29 CO 0.34 -0.32 1.70 0.34 -0.00 0.00 0.00 175.22 177.28 3i9b s ASP 30 N 1.84 5.55 0.00 1.98 3.68 -1.26 -4.82 116.67 123.64 3i9b s ASP 30 Ca 0.03 0.21 0.01 0.00 2.13 0.00 0.00 52.55 54.93 3i9b s ASP 30 Cb -0.12 -2.54 0.04 0.00 -1.45 0.00 0.00 42.92 38.84 3i9b s ASP 30 CO -0.05 -2.18 0.51 0.00 0.13 0.00 0.00 175.17 173.58 3i9b n LEU 31 N 11.70 0.00 -1.52 -1.34 -0.00 -1.26 -1.83 117.00 122.74 3i9b n LEU 31 Ca 0.16 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.27 3i9b n LEU 31 Cb 0.51 0.00 0.35 0.00 -0.00 0.00 0.00 43.42 44.28 3i9b n LEU 31 CO 0.71 0.00 0.81 -1.14 -0.00 0.00 0.00 177.39 177.77 3i9b n ARG 32 N -0.52 3.45 -3.90 1.47 3.00 -1.26 -4.59 116.66 114.31 3i9b n ARG 32 Ca 0.00 -2.83 -0.36 0.00 -0.00 0.00 0.00 57.85 54.67 3i9b n ARG 32 Cb 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 32.46 30.53 3i9b n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3i9b s ASP 33 N -0.94 4.78 -0.42 6.15 -1.08 -0.76 -5.01 116.67 119.39 3i9b s ASP 33 Ca 0.51 -0.26 0.02 0.00 -0.52 0.00 0.00 52.55 52.30 3i9b s ASP 33 Cb 0.31 -1.83 0.53 0.00 -1.46 0.00 0.00 42.92 40.47 3i9b s ASP 33 CO 0.27 0.00 1.83 0.00 0.52 0.00 0.00 175.17 177.79 3i9b n TYR 34 N 4.67 2.63 0.00 -5.34 0.18 -1.26 -4.47 117.16 113.57 3i9b n TYR 34 Ca -0.17 -1.84 0.00 0.00 1.88 0.00 0.00 57.90 57.76 3i9b n TYR 34 Cb 0.51 -0.93 0.00 0.00 -0.38 0.00 0.00 39.34 38.54 3i9b n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i9b n ARG 35 N -0.83 0.00 -1.86 -3.48 1.74 -1.26 -4.50 116.66 106.47 3i9b n ARG 35 Ca 0.51 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.18 3i9b n ARG 35 Cb 1.34 -0.66 -0.01 0.00 -1.02 0.00 0.00 32.46 32.10 3i9b n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i9b n ASN 36 N -1.92 3.87 -0.29 0.55 6.94 -1.26 -4.71 115.26 118.45 3i9b n ASN 36 Ca 0.00 -2.83 0.22 0.00 -0.02 0.00 0.00 54.58 51.96 3i9b n ASN 36 Cb 0.19 -1.60 0.53 0.00 -2.36 0.00 0.00 39.78 36.54 3i9b n ASN 36 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 3i9b h VAL 37 N 4.56 0.58 -0.85 3.53 3.04 -1.91 -0.47 116.25 124.73 3i9b h VAL 37 Ca 0.50 -0.12 0.11 0.00 -1.01 0.00 0.00 66.70 66.18 3i9b h VAL 37 Cb 0.72 0.19 -0.13 0.00 -2.01 0.00 0.00 31.29 30.06 3i9b h VAL 37 CO 1.76 0.07 -0.38 -0.62 -1.01 0.00 0.00 177.57 177.39 3i9b n GLU 38 N -4.53 -0.25 0.00 4.17 -0.58 -1.26 0.13 120.64 118.32 3i9b n GLU 38 Ca 0.23 1.29 0.00 0.00 -0.42 0.00 0.00 57.16 58.26 3i9b n GLU 38 Cb 0.84 -1.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 3i9b n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i9b n VAL 39 N -5.19 0.00 -0.30 2.62 0.31 -0.19 -3.88 118.33 111.69 3i9b n VAL 39 Ca 0.07 1.05 0.01 0.00 -0.01 0.00 0.00 64.34 65.45 3i9b n VAL 39 Cb 0.30 -1.96 0.05 0.00 -0.91 0.00 0.00 33.84 31.33 3i9b n VAL 39 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i9b n LEU 40 N -1.06 -0.45 -0.47 7.52 4.77 -0.70 -0.63 117.00 125.98 3i9b n LEU 40 Ca 0.00 1.38 0.40 0.00 -0.03 0.00 0.00 56.01 57.76 3i9b n LEU 40 Cb 0.00 -0.34 0.68 0.00 -2.33 0.00 0.00 43.42 41.42 3i9b n LEU 40 CO 0.00 -1.27 1.23 0.50 -1.33 0.00 0.00 177.39 176.52 3i9b h LYS 41 N 0.00 0.01 -0.94 3.23 3.64 1.00 0.30 116.57 123.81 3i9b h LYS 41 Ca 0.31 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.72 3i9b h LYS 41 Cb 0.50 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.27 3i9b h LYS 41 CO -0.80 0.01 0.62 -0.09 -2.27 0.00 0.00 179.45 176.92 3i9b h ARG 42 N 0.01 1.14 0.00 1.90 9.65 -1.01 -2.71 114.38 123.36 3i9b h ARG 42 Ca 0.88 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.69 3i9b h ARG 42 Cb 2.81 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 31.13 3i9b h ARG 42 CO -0.47 0.76 0.00 1.19 2.80 0.00 0.00 179.97 184.24 3i9b n PHE 43 N -4.45 0.00 -4.72 2.20 3.01 0.11 -4.72 117.46 108.89 3i9b n PHE 43 Ca 0.13 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.25 3i9b n PHE 43 Cb 0.11 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.46 3i9b n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i9b s LEU 44 N -1.91 3.00 0.00 4.37 1.02 -1.02 -1.86 118.68 122.28 3i9b s LEU 44 Ca 0.28 -0.09 -0.10 0.00 0.02 0.00 0.00 54.13 54.24 3i9b s LEU 44 Cb 0.13 -1.64 0.14 0.00 0.02 0.00 0.00 46.19 44.84 3i9b s LEU 44 CO 0.21 0.35 0.51 -1.54 0.02 0.00 0.00 176.35 175.90 3i9b n SER 45 N 2.29 -1.50 -1.74 2.29 3.41 0.26 -4.87 113.62 113.76 3i9b n SER 45 Ca -0.18 -0.81 -0.14 0.00 -0.26 0.00 0.00 58.87 57.48 3i9b n SER 45 Cb 0.53 -0.47 0.10 0.00 -0.26 0.00 0.00 64.21 64.11 3i9b n SER 45 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i9b n GLU 46 N -3.05 1.75 0.00 4.33 -0.58 -1.26 -2.54 120.64 119.29 3i9b n GLU 46 Ca 0.07 -1.77 0.00 0.00 -0.42 0.00 0.00 57.16 55.04 3i9b n GLU 46 Cb 0.27 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 3i9b n GLU 46 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3i9b n THR 47 N -0.43 0.48 -0.66 2.62 -2.24 -1.26 -4.26 114.28 108.52 3i9b n THR 47 Ca 0.35 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3i9b n THR 47 Cb 1.15 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 70.24 3i9b n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9b n GLY 48 N -0.24 1.30 3.88 3.38 0.00 -1.05 -3.32 105.19 109.13 3i9b n GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i9b n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9b s LYS 49 N -0.12 3.64 0.25 1.61 1.02 -1.26 -4.69 119.74 120.20 3i9b s LYS 49 Ca 0.00 0.55 -0.30 0.00 0.02 0.00 0.00 55.97 56.24 3i9b s LYS 49 Cb 0.00 -2.23 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3i9b s LYS 49 CO 0.00 -0.34 1.10 0.42 -0.92 0.00 0.00 175.35 175.61 3i9b s ILE 50 N -2.87 3.57 0.12 2.17 -1.09 -1.26 -0.58 121.20 121.27 3i9b s ILE 50 Ca 0.52 1.52 -0.24 0.00 -2.23 0.00 0.00 60.65 60.23 3i9b s ILE 50 Cb -0.11 -3.97 -0.07 0.00 -1.58 0.00 0.00 42.46 36.73 3i9b s ILE 50 CO 0.46 0.34 0.73 -0.76 -1.23 0.00 0.00 174.94 174.47 3i9b s LEU 51 N -1.17 4.55 1.24 2.97 1.43 -0.78 -4.83 118.68 122.10 3i9b s LEU 51 Ca 0.46 1.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.92 3i9b s LEU 51 Cb -0.31 -3.19 0.30 0.00 0.03 0.00 0.00 46.19 43.02 3i9b s LEU 51 CO 0.39 0.18 0.90 -0.81 0.23 0.00 0.00 176.35 177.25 3i9b n PRO 52 N 1.89 -2.98 0.14 1.29 -0.04 -1.26 -4.51 135.00 129.53 3i9b n PRO 52 Ca -0.06 -0.85 -0.01 0.00 -0.04 0.00 0.00 63.50 62.54 3i9b n PRO 52 Cb 0.49 -2.07 0.23 0.00 -0.04 0.00 0.00 33.50 32.12 3i9b n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9b h ARG 53 N -2.88 0.06 0.00 0.54 3.08 -1.96 -0.69 114.38 112.53 3i9b h ARG 53 Ca -0.59 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.43 3i9b h ARG 53 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3i9b h ARG 53 CO 0.45 0.55 0.34 0.54 -1.07 0.00 0.00 179.97 180.78 3i9b n ARG 54 N -3.94 0.06 0.02 0.04 3.00 -1.26 -0.74 116.66 113.83 3i9b n ARG 54 Ca -0.02 0.47 -0.00 0.00 -0.01 0.00 0.00 57.85 58.29 3i9b n ARG 54 Cb 0.53 -2.02 -0.00 0.00 0.00 0.00 0.00 32.46 30.97 3i9b n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i9b n ARG 55 N -1.79 0.00 -0.13 5.56 5.12 -0.90 -4.73 116.66 119.79 3i9b n ARG 55 Ca -0.01 0.00 0.27 0.00 -1.93 0.00 0.00 57.85 56.19 3i9b n ARG 55 Cb 0.35 -0.18 0.58 0.00 -1.16 0.00 0.00 32.46 32.05 3i9b n ARG 55 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3i9b h THR 56 N -0.01 0.15 -6.03 0.55 1.35 -1.03 -3.35 112.91 104.54 3i9b h THR 56 Ca 0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 66.41 65.41 3i9b h THR 56 Cb 0.01 0.25 -0.12 0.00 -1.73 0.00 0.00 68.15 66.56 3i9b h THR 56 CO 0.00 0.00 -0.68 0.61 -0.25 0.00 0.00 175.52 175.20 3i9b n GLY 57 N -1.65 -0.47 3.46 5.82 0.00 0.08 -4.26 105.19 108.17 3i9b n GLY 57 Ca 0.19 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 3i9b n GLY 57 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i9b s LEU 58 N -6.86 2.59 0.99 0.99 0.05 -1.26 -4.92 118.68 110.26 3i9b s LEU 58 Ca 0.56 -1.04 -0.12 0.00 0.05 0.00 0.00 54.13 53.58 3i9b s LEU 58 Cb -0.30 -1.05 0.18 0.00 -2.05 0.00 0.00 46.19 42.97 3i9b s LEU 58 CO 0.69 0.01 1.09 -0.55 -0.55 0.00 0.00 176.35 177.04 3i9b s SER 59 N -3.50 2.66 0.08 1.48 0.15 -1.26 -4.58 113.70 108.72 3i9b s SER 59 Ca 0.29 1.26 -0.34 0.00 0.70 0.00 0.00 55.95 57.87 3i9b s SER 59 Cb -0.04 -1.93 -0.16 0.00 -1.71 0.00 0.00 66.02 62.18 3i9b s SER 59 CO 0.14 -3.12 1.52 0.00 1.20 0.00 0.00 173.24 172.98 3i9b h ALA 60 N -1.88 -1.14 0.00 5.45 0.00 -2.00 0.62 119.26 120.31 3i9b h ALA 60 Ca -0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3i9b h ALA 60 Cb 1.32 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3i9b h ALA 60 CO 0.57 -1.16 0.23 1.17 0.00 0.00 0.00 179.25 180.05 3i9b n LYS 61 N -5.33 0.02 -0.08 0.00 4.81 -1.26 -2.07 118.16 114.25 3i9b n LYS 61 Ca -0.11 0.35 -0.15 0.00 -0.87 0.00 0.00 58.31 57.53 3i9b n LYS 61 Cb 0.44 -1.79 -0.05 0.00 0.02 0.00 0.00 35.03 33.65 3i9b n LYS 61 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3i9b n GLU 62 N -1.45 0.42 -0.36 1.64 1.02 -0.11 -4.05 120.64 117.75 3i9b n GLU 62 Ca -0.00 0.18 0.37 0.00 -0.02 0.00 0.00 57.16 57.68 3i9b n GLU 62 Cb 0.23 -1.21 0.65 0.00 -0.02 0.00 0.00 31.44 31.08 3i9b n GLU 62 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3i9b h GLN 63 N -0.74 0.00 0.00 3.49 5.75 0.74 0.15 115.11 124.49 3i9b h GLN 63 Ca -0.28 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3i9b h GLN 63 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.68 3i9b h GLN 63 CO -0.17 0.00 0.00 0.54 -2.65 0.00 0.00 178.83 176.55 3i9b n ARG 64 N -3.66 0.00 0.02 1.69 1.74 -1.01 -2.86 116.66 112.57 3i9b n ARG 64 Ca 0.29 0.34 0.01 0.00 -0.77 0.00 0.00 57.85 57.72 3i9b n ARG 64 Cb 1.55 -0.83 0.04 0.00 -1.02 0.00 0.00 32.46 32.19 3i9b n ARG 64 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3i9b n ILE 65 N -1.66 1.03 0.09 0.55 -6.64 -0.74 0.64 119.36 112.63 3i9b n ILE 65 Ca 0.00 0.53 -0.23 0.00 -1.77 0.00 0.00 62.75 61.27 3i9b n ILE 65 Cb 0.00 -1.53 -0.15 0.00 -1.44 0.00 0.00 39.64 36.52 3i9b n ILE 65 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 3i9b h LEU 66 N 0.00 0.67 -0.79 7.28 5.85 -0.84 -3.30 115.31 124.18 3i9b h LEU 66 Ca 0.00 -0.92 -0.10 0.00 0.84 0.00 0.00 57.88 57.70 3i9b h LEU 66 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3i9b h LEU 66 CO 0.00 1.77 -0.14 0.00 -0.34 0.00 0.00 178.44 179.73 3i9b h ALA 67 N 0.13 0.97 -0.49 1.25 0.00 0.35 -2.69 119.26 118.78 3i9b h ALA 67 Ca -0.32 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 3i9b h ALA 67 Cb 2.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 3i9b h ALA 67 CO 0.20 0.61 0.16 -0.22 0.00 0.00 0.00 179.25 180.00 3i9b h LYS 68 N 0.69 0.76 -0.03 0.00 3.64 -1.64 -1.91 116.57 118.08 3i9b h LYS 68 Ca 0.11 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3i9b h LYS 68 Cb 0.62 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3i9b h LYS 68 CO 0.04 0.71 0.02 1.79 -2.27 0.00 0.00 179.45 179.74 3i9b h THR 69 N 0.66 1.10 -0.04 1.00 1.35 -1.62 -1.34 112.91 114.01 3i9b h THR 69 Ca 0.16 -0.30 0.02 0.00 -0.55 0.00 0.00 66.41 65.74 3i9b h THR 69 Cb 0.26 1.24 -0.06 0.00 -1.73 0.00 0.00 68.15 67.87 3i9b h THR 69 CO -0.01 0.08 -0.53 0.40 -0.25 0.00 0.00 175.52 175.21 3i9b h ILE 70 N -0.07 0.00 -0.95 6.82 2.04 -1.40 -1.45 117.51 122.51 3i9b h ILE 70 Ca 0.01 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.13 3i9b h ILE 70 Cb 0.12 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.06 3i9b h ILE 70 CO -0.00 0.00 0.46 0.11 0.00 0.00 0.00 178.15 178.72 3i9b h LYS 71 N -0.64 0.37 0.26 2.37 1.57 -1.19 -0.27 116.57 119.05 3i9b h LYS 71 Ca 0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3i9b h LYS 71 Cb 0.70 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3i9b h LYS 71 CO -0.38 0.24 -0.13 0.00 -0.57 0.00 0.00 179.45 178.62 3i9b h ARG 72 N 0.38 -0.34 -0.51 3.15 3.08 -0.23 -2.66 114.38 117.25 3i9b h ARG 72 Ca 0.63 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.72 3i9b h ARG 72 Cb 1.28 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 3i9b h ARG 72 CO -0.56 -0.16 0.34 0.00 -1.07 0.00 0.00 179.97 178.52 3i9b h ALA 73 N 0.26 1.72 -0.34 0.04 0.00 -0.48 0.33 119.26 120.78 3i9b h ALA 73 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i9b h ALA 73 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3i9b h ALA 73 CO 0.06 0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.78 3i9b h ARG 74 N 0.62 0.40 -0.02 0.00 3.08 -0.91 0.01 114.38 117.56 3i9b h ARG 74 Ca 0.20 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.15 3i9b h ARG 74 Cb 0.04 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.01 3i9b h ARG 74 CO -0.05 0.26 -0.28 0.82 -1.07 0.00 0.00 179.97 179.66 3i9b h ILE 75 N 0.41 1.51 0.00 2.04 2.04 -0.16 -3.13 117.51 120.22 3i9b h ILE 75 Ca 0.13 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.11 3i9b h ILE 75 Cb 0.03 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 3i9b h ILE 75 CO -0.03 0.52 0.00 0.18 0.00 0.00 0.00 178.15 178.82 3i9b n LEU 76 N -4.48 1.47 0.00 1.44 4.77 0.41 -4.76 117.00 115.85 3i9b n LEU 76 Ca -0.09 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3i9b n LEU 76 Cb 0.51 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3i9b n LEU 76 CO 0.40 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3i9b n GLY 77 N 0.63 0.00 0.22 -0.72 0.00 -0.69 -4.67 105.19 99.96 3i9b n GLY 77 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3i9b n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i9b h LEU 78 N 0.00 0.00 -9.46 0.99 3.38 -1.33 -3.47 115.31 105.43 3i9b h LEU 78 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3i9b h LEU 78 Cb 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.84 3i9b h LEU 78 CO 0.00 0.00 -0.51 -0.76 0.09 0.00 0.00 178.44 177.26 3i9b s LEU 79 N -6.11 2.00 0.00 1.67 1.43 -1.16 -4.87 118.68 111.63 3i9b s LEU 79 Ca 0.06 -1.69 0.01 0.00 -1.03 0.00 0.00 54.13 51.49 3i9b s LEU 79 Cb 0.06 -0.10 0.05 0.00 0.03 0.00 0.00 46.19 46.23 3i9b s LEU 79 CO 0.65 -0.94 0.39 -0.81 0.23 0.00 0.00 176.35 175.86 3i9b n PRO 80 N -0.93 0.45 0.04 1.29 -0.04 -1.26 -4.64 135.00 129.92 3i9b n PRO 80 Ca -0.06 -1.14 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 3i9b n PRO 80 Cb 0.65 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 3i9b n PRO 80 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3i9b n PHE 81 N -1.86 -0.48 -3.20 0.54 3.01 -1.26 -4.71 117.46 109.50 3i9b n PHE 81 Ca 0.07 0.08 -0.20 0.00 1.01 0.00 0.00 57.45 58.41 3i9b n PHE 81 Cb 0.24 0.20 -0.07 0.00 -0.01 0.00 0.00 39.48 39.84 3i9b n PHE 81 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3i9b n THR 82 N -3.16 -0.86 -2.52 4.37 -1.04 -1.26 -4.56 114.28 105.25 3i9b n THR 82 Ca 0.00 -2.71 -0.35 0.00 -2.04 0.00 0.00 64.05 58.95 3i9b n THR 82 Cb 0.16 -0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 67.77 3i9b n THR 82 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3i9b s GLU 83 N 0.28 3.91 -0.06 -2.82 -1.05 -1.21 -4.92 118.70 112.83 3i9b s GLU 83 Ca 0.32 1.45 -0.30 0.00 -0.15 0.00 0.00 54.97 56.29 3i9b s GLU 83 Cb 0.03 -2.26 -0.02 0.00 -0.44 0.00 0.00 34.13 31.44 3i9b s GLU 83 CO -0.16 -0.36 1.00 0.15 0.95 0.00 0.00 175.26 176.85 3i9b s LYS 84 N -2.95 4.48 0.31 -4.83 -0.14 -1.26 -4.22 119.74 111.13 3i9b s LYS 84 Ca 0.64 1.41 -0.29 0.00 -1.36 0.00 0.00 55.97 56.36 3i9b s LYS 84 Cb -0.19 -3.51 -0.12 0.00 -1.68 0.00 0.00 37.83 32.33 3i9b s LYS 84 CO 0.24 -0.21 1.52 1.47 -0.76 0.00 0.00 175.35 177.61 3i9b n LEU 85 N 4.57 4.26 -4.29 3.17 -0.00 -1.26 -4.93 117.00 118.52 3i9b n LEU 85 Ca 0.08 1.17 -0.40 0.00 -0.00 0.00 0.00 56.01 56.86 3i9b n LEU 85 Cb 0.50 -1.57 -0.10 0.00 -0.00 0.00 0.00 43.42 42.24 3i9b n LEU 85 CO 0.52 0.03 -0.13 -0.69 -0.00 0.00 0.00 177.39 177.12 3i9b s VAL 86 N -0.40 4.28 -0.25 1.47 1.01 -1.26 -5.05 120.40 120.20 3i9b s VAL 86 Ca 0.61 -1.26 -0.41 0.00 0.00 0.00 0.00 61.98 60.91 3i9b s VAL 86 Cb -0.51 -3.56 -0.17 0.00 0.00 0.00 0.00 36.38 32.14 3i9b s VAL 86 CO 0.54 -0.43 1.59 -1.14 0.00 0.00 0.00 175.10 175.66 3i9b n ARG 87 N 4.93 0.79 0.00 2.72 3.00 -1.26 -5.22 116.66 121.62 3i9b n ARG 87 Ca -0.11 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 3i9b n ARG 87 Cb 0.44 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 30.99 3i9b n ARG 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99