#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d n ALA 20 N 0.00 -1.24 -3.20 7.82 0.00 -1.26 -4.93 120.51 117.70 3i9d n ALA 20 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.60 3i9d n ALA 20 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 3i9d n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i9d s LYS 21 N -1.01 0.51 0.01 0.00 1.02 -1.26 -4.90 119.74 114.11 3i9d s LYS 21 Ca 0.00 0.76 -0.00 0.00 0.02 0.00 0.00 55.97 56.75 3i9d s LYS 21 Cb 0.00 0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.56 3i9d s LYS 21 CO 0.00 -0.74 0.03 0.28 -0.92 0.00 0.00 175.35 174.00 3i9d n VAL 22 N 5.41 -0.01 -0.10 3.17 0.31 -1.25 0.13 118.33 125.99 3i9d n VAL 22 Ca -0.00 0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.31 3i9d n VAL 22 Cb 0.51 -0.06 0.01 0.00 -0.91 0.00 0.00 33.84 33.38 3i9d n VAL 22 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i9d h LYS 23 N 0.00 -0.09 -2.52 5.55 1.63 -1.70 -2.66 116.57 116.77 3i9d h LYS 23 Ca 0.01 0.01 -0.70 0.00 -0.85 0.00 0.00 60.65 59.12 3i9d h LYS 23 Cb 0.02 0.02 -0.13 0.00 -0.60 0.00 0.00 32.23 31.54 3i9d h LYS 23 CO -0.02 -0.06 2.11 0.00 -3.45 0.00 0.00 179.45 178.03 3i9d n ALA 24 N -2.77 6.78 -2.04 5.00 0.00 0.34 -3.89 120.51 123.93 3i9d n ALA 24 Ca 0.01 -3.88 -0.02 0.00 0.00 0.00 0.00 53.44 49.55 3i9d n ALA 24 Cb 0.25 -2.68 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 3i9d n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i9d n THR 25 N 1.64 0.00 0.00 0.00 -1.04 -1.00 -4.56 114.28 109.32 3i9d n THR 25 Ca 0.61 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 3i9d n THR 25 Cb 0.30 0.33 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 3i9d n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i9d n LEU 26 N 0.04 0.00 0.00 -4.42 -0.00 -1.25 -5.06 117.00 106.31 3i9d n LEU 26 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 3i9d n LEU 26 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 3i9d n LEU 26 CO -0.06 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 177.94 3i9d n GLY 27 N -0.03 -3.43 3.79 1.47 0.00 -1.26 -4.91 105.19 100.82 3i9d n GLY 27 Ca 0.00 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 3i9d n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9d s GLU 28 N 0.00 3.88 -0.26 1.61 2.02 -1.26 -5.05 118.70 119.64 3i9d s GLU 28 Ca 0.00 1.44 -0.25 0.00 0.02 0.00 0.00 54.97 56.18 3i9d s GLU 28 Cb 0.00 -2.23 0.07 0.00 0.10 0.00 0.00 34.13 32.07 3i9d s GLU 28 CO 0.00 -0.38 0.74 -0.59 0.02 0.00 0.00 175.26 175.06 3i9d s PHE 29 N -1.85 -0.76 -0.76 1.61 -0.00 -1.26 -5.09 117.98 109.87 3i9d s PHE 29 Ca 0.65 1.82 -0.27 0.00 -0.00 0.00 0.00 56.93 59.13 3i9d s PHE 29 Cb -0.19 0.29 0.03 0.00 -0.00 0.00 0.00 43.02 43.15 3i9d s PHE 29 CO 0.23 -0.38 1.31 0.34 -0.00 0.00 0.00 175.22 176.72 3i9d s ASP 30 N 0.26 6.17 0.00 1.98 -1.08 -1.26 -4.82 116.67 117.92 3i9d s ASP 30 Ca -0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.50 3i9d s ASP 30 Cb -0.05 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 3i9d s ASP 30 CO 0.01 -1.83 0.34 0.00 0.52 0.00 0.00 175.17 174.21 3i9d n LEU 31 N 9.43 0.67 0.00 -1.34 -0.00 -1.26 -1.73 117.00 122.77 3i9d n LEU 31 Ca 0.06 -0.33 0.00 0.00 -0.00 0.00 0.00 56.01 55.74 3i9d n LEU 31 Cb 0.49 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 3i9d n LEU 31 CO 0.71 0.17 -0.04 -1.14 -0.00 0.00 0.00 177.39 177.08 3i9d n ARG 32 N 0.16 5.88 -2.53 1.47 0.63 -1.26 -3.99 116.66 117.01 3i9d n ARG 32 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 3i9d n ARG 32 Cb 0.17 -0.51 -0.02 0.00 0.45 0.00 0.00 32.46 32.55 3i9d n ARG 32 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3i9d s ASP 33 N -1.01 7.01 -0.40 6.15 3.68 -0.70 -4.92 116.67 126.48 3i9d s ASP 33 Ca 0.00 1.55 0.02 0.00 2.13 0.00 0.00 52.55 56.26 3i9d s ASP 33 Cb 0.00 -2.54 0.51 0.00 -1.45 0.00 0.00 42.92 39.45 3i9d s ASP 33 CO 0.00 -0.72 1.80 0.00 0.13 0.00 0.00 175.17 176.37 3i9d n TYR 34 N 6.49 2.53 0.00 -5.34 0.18 -1.26 -4.50 117.16 115.26 3i9d n TYR 34 Ca 0.13 -1.78 0.00 0.00 1.88 0.00 0.00 57.90 58.13 3i9d n TYR 34 Cb 0.45 -0.90 0.00 0.00 -0.38 0.00 0.00 39.34 38.51 3i9d n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i9d n ARG 35 N -0.78 0.67 -2.69 -3.48 1.74 -1.26 -4.52 116.66 106.34 3i9d n ARG 35 Ca 0.49 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 57.15 3i9d n ARG 35 Cb 1.32 -0.84 -0.03 0.00 -1.02 0.00 0.00 32.46 31.89 3i9d n ARG 35 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i9d s ASN 36 N -3.36 6.46 0.00 0.55 2.20 -1.26 -4.94 114.94 114.60 3i9d s ASN 36 Ca 0.00 0.06 0.00 0.00 -0.94 0.00 0.00 52.86 51.98 3i9d s ASN 36 Cb 0.00 -2.51 0.00 0.00 -2.00 0.00 0.00 41.25 36.74 3i9d s ASN 36 CO 0.00 -1.31 0.82 0.52 -2.94 0.00 0.00 177.10 174.20 3i9d n VAL 37 N 6.55 0.00 -0.18 3.54 0.31 -1.26 -3.33 118.33 123.96 3i9d n VAL 37 Ca 0.07 1.32 0.02 0.00 -0.01 0.00 0.00 64.34 65.75 3i9d n VAL 37 Cb 0.49 -2.23 0.06 0.00 -0.91 0.00 0.00 33.84 31.24 3i9d n VAL 37 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i9d n GLU 38 N -1.62 -0.06 0.18 5.55 -0.58 -1.26 0.15 120.64 122.99 3i9d n GLU 38 Ca 0.00 0.77 -0.16 0.00 -0.42 0.00 0.00 57.16 57.35 3i9d n GLU 38 Cb 0.00 -1.14 -0.08 0.00 -0.57 0.00 0.00 31.44 29.64 3i9d n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i9d h VAL 39 N 0.00 0.11 -0.35 2.62 2.07 -1.99 -3.09 116.25 115.62 3i9d h VAL 39 Ca 0.22 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.64 3i9d h VAL 39 Cb 0.34 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3i9d h VAL 39 CO -0.50 0.00 -0.17 -0.07 0.02 0.00 0.00 177.57 176.85 3i9d h LEU 40 N -0.78 0.75 -0.65 2.57 3.38 0.13 -3.03 115.31 117.68 3i9d h LEU 40 Ca -0.01 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3i9d h LEU 40 Cb 0.75 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3i9d h LEU 40 CO -0.18 0.99 0.21 1.17 0.09 0.00 0.00 178.44 180.72 3i9d n LYS 41 N -4.32 0.07 -0.00 1.13 4.81 0.31 0.15 118.16 120.31 3i9d n LYS 41 Ca -0.02 0.50 0.15 0.00 -0.87 0.00 0.00 58.31 58.07 3i9d n LYS 41 Cb 0.40 -1.92 0.72 0.00 0.02 0.00 0.00 35.03 34.25 3i9d n LYS 41 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i9d n ARG 42 N -1.84 1.36 -0.07 1.64 1.74 -1.14 -3.61 116.66 114.74 3i9d n ARG 42 Ca -0.01 -0.52 0.08 0.00 -0.77 0.00 0.00 57.85 56.63 3i9d n ARG 42 Cb 0.22 -1.49 0.11 0.00 -1.02 0.00 0.00 32.46 30.28 3i9d n ARG 42 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i9d n PHE 43 N -0.37 0.18 -4.75 -1.55 3.01 0.39 -4.85 117.46 109.52 3i9d n PHE 43 Ca 0.21 -0.14 -0.33 0.00 1.01 0.00 0.00 57.45 58.20 3i9d n PHE 43 Cb 0.24 -0.01 -0.13 0.00 -0.01 0.00 0.00 39.48 39.58 3i9d n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i9d s LEU 44 N -1.19 2.88 1.16 4.37 1.02 -1.24 -1.35 118.68 124.33 3i9d s LEU 44 Ca 0.22 -0.18 -0.17 0.00 0.02 0.00 0.00 54.13 54.02 3i9d s LEU 44 Cb 0.14 -1.62 0.18 0.00 0.02 0.00 0.00 46.19 44.91 3i9d s LEU 44 CO 0.20 0.29 0.35 -1.54 0.02 0.00 0.00 176.35 175.66 3i9d n SER 45 N 2.72 -2.32 -0.08 2.29 3.41 -0.53 -4.77 113.62 114.35 3i9d n SER 45 Ca -0.18 -0.20 -0.01 0.00 -0.26 0.00 0.00 58.87 58.23 3i9d n SER 45 Cb 0.53 -1.04 0.26 0.00 -0.26 0.00 0.00 64.21 63.70 3i9d n SER 45 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3i9d h GLU 46 N -2.38 0.70 0.00 4.33 -0.00 -1.97 -2.03 114.58 113.23 3i9d h GLU 46 Ca -0.56 -0.13 0.00 0.00 -0.00 0.00 0.00 59.36 58.68 3i9d h GLU 46 Cb 1.33 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 3i9d h GLU 46 CO 0.41 0.63 0.00 0.25 -0.00 0.00 0.00 179.01 180.30 3i9d n THR 47 N -4.31 0.09 0.00 -1.06 -2.24 -1.26 -4.78 114.28 100.72 3i9d n THR 47 Ca 0.03 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3i9d n THR 47 Cb 0.20 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 3i9d n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9d n GLY 48 N -0.14 3.23 3.66 3.38 0.00 -0.76 -1.58 105.19 112.98 3i9d n GLY 48 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3i9d n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9d n LYS 49 N -1.13 0.09 -2.36 1.61 5.02 -1.26 -4.62 118.16 115.51 3i9d n LYS 49 Ca 0.00 0.11 -0.38 0.00 -2.02 0.00 0.00 58.31 56.02 3i9d n LYS 49 Cb 0.00 -2.36 -0.02 0.00 -0.02 0.00 0.00 35.03 32.63 3i9d n LYS 49 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i9d s ILE 50 N -2.18 3.29 0.15 -0.18 1.09 -1.26 -1.45 121.20 120.66 3i9d s ILE 50 Ca 0.71 1.07 -0.30 0.00 -1.10 0.00 0.00 60.65 61.03 3i9d s ILE 50 Cb -0.28 -3.59 -0.07 0.00 -1.06 0.00 0.00 42.46 37.46 3i9d s ILE 50 CO 0.53 0.08 0.95 -0.76 -0.10 0.00 0.00 174.94 175.64 3i9d s LEU 51 N -2.50 4.54 1.03 2.97 1.43 -0.46 -4.71 118.68 120.98 3i9d s LEU 51 Ca 0.57 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 55.36 3i9d s LEU 51 Cb -0.29 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.46 3i9d s LEU 51 CO 0.36 0.00 0.52 -0.81 0.23 0.00 0.00 176.35 176.66 3i9d n PRO 52 N 2.39 -1.04 -0.13 1.29 -0.04 -1.26 -4.90 135.00 131.31 3i9d n PRO 52 Ca 0.01 -0.27 -0.10 0.00 -0.04 0.00 0.00 63.50 63.10 3i9d n PRO 52 Cb 0.49 -1.95 -0.01 0.00 -0.04 0.00 0.00 33.50 31.98 3i9d n PRO 52 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3i9d h ARG 53 N -1.95 0.62 -0.55 0.54 2.43 -1.95 -3.17 114.38 110.35 3i9d h ARG 53 Ca -0.49 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 3i9d h ARG 53 Cb 1.31 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 3i9d h ARG 53 CO 0.39 0.67 0.00 2.89 -1.51 0.00 0.00 179.97 182.40 3i9d n ARG 54 N -4.56 0.00 -0.91 0.20 1.85 -1.26 -1.55 116.66 110.43 3i9d n ARG 54 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.81 3i9d n ARG 54 Cb 0.21 -1.10 -0.02 0.00 -1.05 0.00 0.00 32.46 30.50 3i9d n ARG 54 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3i9d n ARG 55 N 0.61 0.08 0.00 2.89 1.85 -1.20 -4.92 116.66 115.97 3i9d n ARG 55 Ca 0.00 -0.51 0.00 0.00 -1.00 0.00 0.00 57.85 56.34 3i9d n ARG 55 Cb 0.00 0.47 0.00 0.00 -1.05 0.00 0.00 32.46 31.88 3i9d n ARG 55 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3i9d n THR 56 N -0.09 0.00 0.00 8.89 -2.24 -0.60 -3.92 114.28 116.32 3i9d n THR 56 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3i9d n THR 56 Cb 0.50 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3i9d n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9d n GLY 57 N 1.75 2.66 1.57 3.38 0.00 -0.79 -1.79 105.19 111.97 3i9d n GLY 57 Ca 0.00 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 3i9d n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9d n LEU 58 N 0.00 -0.25 -4.47 0.99 4.32 -1.26 -4.86 117.00 111.47 3i9d n LEU 58 Ca 0.00 0.52 -0.31 0.00 -0.02 0.00 0.00 56.01 56.20 3i9d n LEU 58 Cb 0.00 -0.42 0.27 0.00 -1.62 0.00 0.00 43.42 41.64 3i9d n LEU 58 CO 0.00 -1.08 0.54 -0.94 -1.22 0.00 0.00 177.39 174.69 3i9d s SER 59 N -0.20 -0.08 0.05 -1.43 1.04 -1.26 -4.30 113.70 107.52 3i9d s SER 59 Ca 0.36 0.61 -0.15 0.00 0.48 0.00 0.00 55.95 57.25 3i9d s SER 59 Cb -0.51 -0.82 -0.06 0.00 0.10 0.00 0.00 66.02 64.73 3i9d s SER 59 CO 0.26 -4.74 1.24 0.00 0.98 0.00 0.00 173.24 170.98 3i9d h ALA 60 N -3.00 -0.71 0.00 5.32 0.00 -2.00 0.34 119.26 119.21 3i9d h ALA 60 Ca -0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3i9d h ALA 60 Cb 1.30 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 3i9d h ALA 60 CO 0.28 -0.78 -0.00 -0.22 0.00 0.00 0.00 179.25 178.53 3i9d h LYS 61 N -0.30 0.00 0.00 0.00 3.64 -2.01 -3.04 116.57 114.85 3i9d h LYS 61 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 3i9d h LYS 61 Cb 0.32 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3i9d h LYS 61 CO -0.15 0.00 -0.71 0.93 -2.27 0.00 0.00 179.45 177.26 3i9d h GLU 62 N 0.00 0.00 -0.78 1.90 5.08 -1.65 -3.33 114.58 115.80 3i9d h GLU 62 Ca -0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 3i9d h GLU 62 Cb 0.03 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.14 3i9d h GLU 62 CO 0.00 0.94 -0.05 0.37 -1.00 0.00 0.00 179.01 179.27 3i9d h GLN 63 N -1.00 0.06 0.00 2.33 5.75 -0.23 -1.01 115.11 121.01 3i9d h GLN 63 Ca -0.19 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.31 3i9d h GLN 63 Cb 1.12 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.66 3i9d h GLN 63 CO -0.12 0.04 0.00 0.54 -2.65 0.00 0.00 178.83 176.65 3i9d n ARG 64 N -5.40 0.00 -0.23 1.69 1.74 -1.20 -2.24 116.66 111.01 3i9d n ARG 64 Ca 0.14 0.11 0.19 0.00 -0.77 0.00 0.00 57.85 57.52 3i9d n ARG 64 Cb 0.48 -0.95 0.32 0.00 -1.02 0.00 0.00 32.46 31.29 3i9d n ARG 64 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i9d n ILE 65 N -0.56 -0.11 0.03 0.55 5.41 -1.08 0.42 119.36 124.03 3i9d n ILE 65 Ca 0.00 0.83 -0.01 0.00 1.00 0.00 0.00 62.75 64.57 3i9d n ILE 65 Cb 0.00 -1.36 -0.01 0.00 -0.71 0.00 0.00 39.64 37.56 3i9d n ILE 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3i9d h LEU 66 N 0.00 -0.07 -0.43 1.39 5.85 -0.78 -2.89 115.31 118.38 3i9d h LEU 66 Ca 0.41 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.22 3i9d h LEU 66 Cb 1.37 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.33 3i9d h LEU 66 CO -0.20 -0.05 -0.16 0.00 -0.34 0.00 0.00 178.44 177.70 3i9d h ALA 67 N -1.96 0.19 -0.98 1.25 0.00 0.43 0.21 119.26 118.41 3i9d h ALA 67 Ca -0.01 0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.27 3i9d h ALA 67 Cb 0.06 0.42 -0.19 0.00 0.00 0.00 0.00 17.79 18.09 3i9d h ALA 67 CO 0.01 -0.51 -0.20 1.17 0.00 0.00 0.00 179.25 179.72 3i9d n LYS 68 N -5.36 -0.09 0.06 0.00 3.00 -0.60 0.51 118.16 115.69 3i9d n LYS 68 Ca 0.03 1.52 -0.05 0.00 -0.00 0.00 0.00 58.31 59.81 3i9d n LYS 68 Cb 0.27 -2.29 -0.09 0.00 0.00 0.00 0.00 35.03 32.92 3i9d n LYS 68 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3i9d h THR 69 N 0.00 1.32 -0.95 3.15 1.35 -1.00 -3.07 112.91 113.71 3i9d h THR 69 Ca 0.49 -2.97 0.01 0.00 -0.55 0.00 0.00 66.41 63.39 3i9d h THR 69 Cb 0.80 2.64 -0.05 0.00 -1.73 0.00 0.00 68.15 69.81 3i9d h THR 69 CO -0.99 0.75 0.63 0.40 -0.25 0.00 0.00 175.52 176.06 3i9d h ILE 70 N 0.00 1.25 0.13 6.82 2.04 0.32 -1.14 117.51 126.93 3i9d h ILE 70 Ca -0.06 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 3i9d h ILE 70 Cb 1.72 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3i9d h ILE 70 CO 0.10 0.24 -0.07 0.11 0.00 0.00 0.00 178.15 178.53 3i9d h LYS 71 N 1.30 -0.18 -0.54 2.37 1.57 -0.11 -2.11 116.57 118.87 3i9d h LYS 71 Ca 0.35 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.23 3i9d h LYS 71 Cb -0.14 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.11 3i9d h LYS 71 CO -0.07 -0.12 -0.37 0.00 -0.57 0.00 0.00 179.45 178.31 3i9d h ARG 72 N -0.19 -0.21 -0.88 3.15 3.08 -1.20 -0.77 114.38 117.36 3i9d h ARG 72 Ca -0.01 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.21 3i9d h ARG 72 Cb 0.16 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.16 3i9d h ARG 72 CO 0.01 -0.14 0.47 0.00 -1.07 0.00 0.00 179.97 179.25 3i9d h ALA 73 N 0.79 1.36 -0.23 0.04 0.00 -0.94 0.52 119.26 120.80 3i9d h ALA 73 Ca 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3i9d h ALA 73 Cb 0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3i9d h ALA 73 CO -0.65 -0.07 0.01 0.00 0.00 0.00 0.00 179.25 178.54 3i9d h ARG 74 N 0.66 0.34 -0.04 0.00 3.08 -0.47 -1.24 114.38 116.71 3i9d h ARG 74 Ca 0.49 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.39 3i9d h ARG 74 Cb 0.70 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 3i9d h ARG 74 CO -0.37 0.36 -0.39 0.82 -1.07 0.00 0.00 179.97 179.32 3i9d h ILE 75 N 0.33 1.29 -0.00 2.04 2.04 -0.48 -0.66 117.51 122.08 3i9d h ILE 75 Ca 0.08 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3i9d h ILE 75 Cb 0.21 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3i9d h ILE 75 CO 0.00 0.41 0.00 0.18 0.00 0.00 0.00 178.15 178.74 3i9d n LEU 76 N -4.06 0.03 0.00 1.44 7.99 -0.51 -4.86 117.00 117.03 3i9d n LEU 76 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 3i9d n LEU 76 Cb 0.44 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 3i9d n LEU 76 CO 0.40 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 3i9d n GLY 77 N 0.93 1.24 0.23 -0.72 0.00 -0.25 -4.85 105.19 101.76 3i9d n GLY 77 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 3i9d n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i9d h LEU 78 N 0.00 0.55 -9.39 0.99 3.38 -1.65 -3.44 115.31 105.75 3i9d h LEU 78 Ca 0.00 -0.24 -0.63 0.00 0.09 0.00 0.00 57.88 57.11 3i9d h LEU 78 Cb 0.00 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 40.46 3i9d h LEU 78 CO 0.00 0.88 -0.70 -0.76 0.09 0.00 0.00 178.44 177.96 3i9d s LEU 79 N -8.52 3.15 0.70 1.67 1.43 -1.16 -4.96 118.68 110.99 3i9d s LEU 79 Ca -0.07 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 3i9d s LEU 79 Cb 0.13 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.54 3i9d s LEU 79 CO 0.82 0.12 1.04 -2.84 0.23 0.00 0.00 176.35 175.71 3i9d s PRO 80 N -2.72 2.44 -0.14 1.29 0.02 -1.26 -4.35 135.00 130.29 3i9d s PRO 80 Ca 0.25 0.02 0.17 0.00 0.02 0.00 0.00 61.00 61.46 3i9d s PRO 80 Cb -0.10 -2.12 -0.24 0.00 0.02 0.00 0.00 34.50 32.07 3i9d s PRO 80 CO 0.16 -1.15 0.15 1.19 -0.33 0.00 0.00 177.00 177.02 3i9d n PHE 81 N -2.95 0.00 -3.67 6.54 3.01 -1.26 -4.87 117.46 114.26 3i9d n PHE 81 Ca 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.52 3i9d n PHE 81 Cb 0.59 -0.76 -0.01 0.00 -0.01 0.00 0.00 39.48 39.29 3i9d n PHE 81 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3i9d s THR 82 N -2.66 0.00 -0.30 4.37 2.01 -1.26 -4.73 115.64 113.07 3i9d s THR 82 Ca -0.08 -0.39 -0.14 0.00 0.31 0.00 0.00 61.69 61.39 3i9d s THR 82 Cb 0.07 -1.92 0.14 0.00 0.01 0.00 0.00 72.50 70.80 3i9d s THR 82 CO 0.75 0.00 0.85 -1.83 -0.69 0.00 0.00 174.62 173.70 3i9d s GLU 83 N -2.80 0.44 0.37 4.92 -1.05 -0.62 -4.86 118.70 115.11 3i9d s GLU 83 Ca 0.13 0.98 -0.20 0.00 -0.15 0.00 0.00 54.97 55.73 3i9d s GLU 83 Cb 0.02 0.44 -0.15 0.00 -0.44 0.00 0.00 34.13 34.00 3i9d s GLU 83 CO -0.02 -0.13 0.10 0.36 0.95 0.00 0.00 175.26 176.52 3i9d n LYS 84 N 4.75 0.00 -2.83 -4.83 2.85 -1.26 -4.43 118.16 112.40 3i9d n LYS 84 Ca -0.13 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.71 3i9d n LYS 84 Cb 0.53 -0.95 -0.04 0.00 -0.65 0.00 0.00 35.03 33.93 3i9d n LYS 84 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3i9d s LEU 85 N 4.07 4.26 0.03 -5.58 2.96 -1.26 -4.84 118.68 118.33 3i9d s LEU 85 Ca 0.56 1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 55.81 3i9d s LEU 85 Cb -0.61 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 42.68 3i9d s LEU 85 CO 0.59 -0.32 0.24 -0.69 -1.32 0.00 0.00 176.35 174.84 3i9d s VAL 86 N 1.59 5.36 -0.74 1.68 1.01 -1.26 -4.76 120.40 123.28 3i9d s VAL 86 Ca 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 3i9d s VAL 86 Cb -0.18 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3i9d s VAL 86 CO 0.18 0.25 0.68 0.54 0.00 0.00 0.00 175.10 176.75 3i9d n ARG 87 N 0.70 -1.41 0.00 2.72 5.12 -1.26 -5.22 116.66 117.32 3i9d n ARG 87 Ca -0.08 1.39 0.10 0.00 -1.93 0.00 0.00 57.85 57.33 3i9d n ARG 87 Cb 0.52 -5.11 0.09 0.00 -1.16 0.00 0.00 32.46 26.79 3i9d n ARG 87 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33