#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2acy n GLU 2 N 0.00 1.22 0.00 0.00 1.02 -1.26 -4.69 120.64 116.93 2acy n GLU 2 Ca 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 2acy n GLU 2 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 2acy n GLU 2 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2acy n GLY 3 N 2.75 0.42 0.84 0.62 0.00 -1.26 -3.85 105.19 104.71 2acy n GLY 3 Ca -0.01 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.35 2acy n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2acy n ASP 4 N 5.63 2.59 -4.77 1.61 8.00 -1.26 -1.60 116.55 126.75 2acy n ASP 4 Ca 0.00 -1.85 -0.40 0.00 0.71 0.00 0.00 54.79 53.25 2acy n ASP 4 Cb 0.00 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 2acy n ASP 4 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2acy s THR 5 N -1.86 2.60 -0.08 -3.53 2.01 -1.25 -4.66 115.64 108.87 2acy s THR 5 Ca 0.33 0.56 -0.20 0.00 0.31 0.00 0.00 61.69 62.69 2acy s THR 5 Cb 0.21 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2acy s THR 5 CO 0.31 0.10 0.57 -0.76 -0.69 0.00 0.00 174.62 174.15 2acy s LEU 6 N -2.29 4.31 0.20 4.42 1.43 -1.26 -0.13 118.68 125.37 2acy s LEU 6 Ca 0.55 1.00 0.05 0.00 -1.03 0.00 0.00 54.13 54.70 2acy s LEU 6 Cb -0.39 -2.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 2acy s LEU 6 CO 0.50 -0.02 -0.07 0.27 0.23 0.00 0.00 176.35 177.26 2acy s ILE 7 N 0.55 1.28 -0.02 -0.59 -4.36 0.17 -1.15 121.20 117.08 2acy s ILE 7 Ca 0.31 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.64 2acy s ILE 7 Cb -0.17 -2.11 -0.00 0.00 1.25 0.00 0.00 42.46 41.43 2acy s ILE 7 CO 0.14 -0.54 -0.11 -0.55 0.24 0.00 0.00 174.94 174.12 2acy s SER 8 N -3.27 1.34 -0.06 4.36 0.15 -0.59 -1.47 113.70 114.16 2acy s SER 8 Ca 0.23 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.54 2acy s SER 8 Cb 0.03 -0.23 0.03 0.00 -1.71 0.00 0.00 66.02 64.14 2acy s SER 8 CO 0.05 0.12 0.32 0.54 1.20 0.00 0.00 173.24 175.47 2acy s VAL 9 N -0.11 0.03 0.02 4.45 0.11 -0.56 -1.36 120.40 122.98 2acy s VAL 9 Ca 0.02 -0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 58.76 2acy s VAL 9 Cb -0.06 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2acy s VAL 9 CO -0.00 -0.15 0.22 -1.81 -3.33 0.00 0.00 175.10 170.03 2acy s ASP 10 N -0.68 6.40 0.05 3.54 1.01 -0.08 -1.25 116.67 125.66 2acy s ASP 10 Ca -0.08 0.39 -0.00 0.00 0.71 0.00 0.00 52.55 53.56 2acy s ASP 10 Cb -0.04 -2.02 -0.04 0.00 1.01 0.00 0.00 42.92 41.84 2acy s ASP 10 CO 0.03 0.23 -0.03 -0.72 0.21 0.00 0.00 175.17 174.88 2acy s TYR 11 N -1.38 0.52 -0.12 4.23 -0.85 -0.54 -0.97 117.35 118.24 2acy s TYR 11 Ca 0.30 -0.96 -0.06 0.00 -0.52 0.00 0.00 57.07 55.83 2acy s TYR 11 Cb -0.13 -0.37 0.05 0.00 0.38 0.00 0.00 41.96 41.89 2acy s TYR 11 CO 0.20 -0.32 0.27 -2.00 -1.52 0.00 0.00 175.55 172.18 2acy s GLU 12 N -3.48 0.22 -0.07 -3.49 2.12 -0.53 -2.11 118.70 111.35 2acy s GLU 12 Ca 0.04 0.60 0.02 0.00 0.36 0.00 0.00 54.97 55.99 2acy s GLU 12 Cb 0.05 -0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.32 2acy s GLU 12 CO -0.08 -0.18 -0.13 0.42 -0.54 0.00 0.00 175.26 174.75 2acy s ILE 13 N 1.49 3.16 0.09 -3.70 -1.09 0.41 -0.97 121.20 120.59 2acy s ILE 13 Ca -0.08 -0.67 0.08 0.00 -2.23 0.00 0.00 60.65 57.76 2acy s ILE 13 Cb -0.10 -2.27 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 2acy s ILE 13 CO -0.09 0.58 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.62 2acy s PHE 14 N -0.48 1.87 -0.94 3.97 0.40 0.08 -2.33 117.98 120.55 2acy s PHE 14 Ca 0.06 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2acy s PHE 14 Cb -0.12 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.36 2acy s PHE 14 CO 0.02 0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.54 2acy n GLY 15 N 1.27 0.45 3.35 4.36 0.00 -1.26 -0.19 105.19 113.16 2acy n GLY 15 Ca -0.19 -1.46 -0.47 0.00 0.00 0.00 0.00 46.02 43.90 2acy n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2acy s LYS 16 N -1.63 3.64 0.00 1.61 2.20 0.31 -4.78 119.74 121.09 2acy s LYS 16 Ca 0.00 -2.43 0.00 0.00 -0.36 0.00 0.00 55.97 53.18 2acy s LYS 16 Cb 0.00 -4.50 0.00 0.00 -1.51 0.00 0.00 37.83 31.82 2acy s LYS 16 CO 0.00 -1.35 0.71 1.33 -0.36 0.00 0.00 175.35 175.69 2acy n VAL 17 N 4.07 0.51 -4.41 4.02 0.24 -1.26 -1.52 118.33 119.97 2acy n VAL 17 Ca 0.16 -0.62 -0.27 0.00 -2.04 0.00 0.00 64.34 61.57 2acy n VAL 17 Cb 0.47 0.83 -0.12 0.00 -1.47 0.00 0.00 33.84 33.55 2acy n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2acy s GLN 18 N -0.51 1.52 -1.48 7.34 -0.21 -1.26 -4.58 119.66 120.48 2acy s GLN 18 Ca 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 53.89 2acy s GLN 18 Cb 0.00 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.14 2acy s GLN 18 CO 0.00 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 2acy n GLY 19 N 0.35 1.15 0.62 3.09 0.00 -1.26 -4.86 105.19 104.27 2acy n GLY 19 Ca -0.13 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.61 2acy n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2acy n VAL 20 N -2.87 0.84 -2.11 1.61 0.24 -1.26 -4.99 118.33 109.79 2acy n VAL 20 Ca -0.15 -1.31 -0.17 0.00 -2.04 0.00 0.00 64.34 60.67 2acy n VAL 20 Cb 0.51 0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 2acy n VAL 20 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2acy n PHE 21 N -0.44 -0.60 -0.14 6.34 3.72 -1.26 -4.58 117.46 120.49 2acy n PHE 21 Ca 0.08 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.40 2acy n PHE 21 Cb 0.78 -3.27 -0.00 0.00 -0.94 0.00 0.00 39.48 36.05 2acy n PHE 21 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2acy h PHE 22 N 0.00 0.63 -0.47 1.38 3.04 -1.94 -2.13 116.94 117.45 2acy h PHE 22 Ca -0.38 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.48 2acy h PHE 22 Cb 1.24 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 2acy h PHE 22 CO 0.45 0.53 0.13 0.00 -2.02 0.00 0.00 178.31 177.40 2acy h ARG 23 N 0.54 0.74 -0.46 1.11 3.08 -1.91 -0.19 114.38 117.31 2acy h ARG 23 Ca 0.14 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2acy h ARG 23 Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2acy h ARG 23 CO -0.02 0.72 0.18 0.87 -1.07 0.00 0.00 179.97 180.66 2acy h LYS 24 N 0.63 0.68 -0.25 0.04 1.79 -1.95 -1.60 116.57 115.90 2acy h LYS 24 Ca 0.15 -0.13 -0.10 0.00 -2.18 0.00 0.00 60.65 58.39 2acy h LYS 24 Cb 0.31 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2acy h LYS 24 CO -0.00 0.62 -0.26 1.88 -1.08 0.00 0.00 179.45 180.61 2acy h TYR 25 N 0.59 0.55 -0.36 -1.35 -1.99 -1.24 -1.66 116.97 111.52 2acy h TYR 25 Ca 0.15 -0.12 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 2acy h TYR 25 Cb 0.20 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 2acy h TYR 25 CO 0.00 0.71 -0.04 1.15 -0.00 0.00 0.00 178.16 179.99 2acy h THR 26 N 0.43 1.27 -0.69 -2.88 2.02 -0.81 -1.35 112.91 110.89 2acy h THR 26 Ca 0.06 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.10 2acy h THR 26 Cb 0.68 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2acy h THR 26 CO 0.05 0.35 0.14 -0.61 0.37 0.00 0.00 175.52 175.82 2acy h GLN 27 N 0.47 1.13 -0.64 6.66 4.15 -1.13 0.21 115.11 125.96 2acy h GLN 27 Ca 0.10 -0.29 -0.08 0.00 0.77 0.00 0.00 58.65 59.15 2acy h GLN 27 Cb 0.52 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 2acy h GLN 27 CO 0.03 1.01 0.09 0.00 -1.93 0.00 0.00 178.83 178.03 2acy h ALA 28 N 1.08 0.96 -0.37 3.38 0.00 -1.14 -1.23 119.26 121.94 2acy h ALA 28 Ca 0.21 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2acy h ALA 28 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2acy h ALA 28 CO 0.01 0.65 -0.39 1.49 0.00 0.00 0.00 179.25 181.01 2acy h GLU 29 N 0.99 0.89 -0.59 0.00 4.57 -0.91 -1.37 114.58 118.16 2acy h GLU 29 Ca 0.19 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 57.89 2acy h GLU 29 Cb 0.44 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 2acy h GLU 29 CO 0.01 1.12 0.32 0.78 -1.18 0.00 0.00 179.01 180.07 2acy h GLY 30 N 0.81 0.88 1.51 1.92 0.00 -0.68 -1.85 103.07 105.66 2acy h GLY 30 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 2acy h GLY 30 CO 0.09 0.39 -0.28 0.50 0.00 0.00 0.00 176.54 177.24 2acy h LYS 31 N 0.80 0.56 -0.19 4.80 1.57 -1.16 0.12 116.57 123.07 2acy h LYS 31 Ca 0.21 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2acy h LYS 31 Cb 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2acy h LYS 31 CO -0.03 0.78 -0.11 -0.22 -0.57 0.00 0.00 179.45 179.30 2acy h LYS 32 N 0.49 0.30 -0.01 3.15 3.64 -0.83 -2.14 116.57 121.17 2acy h LYS 32 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2acy h LYS 32 Cb 0.74 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2acy h LYS 32 CO 0.06 0.43 -0.12 1.28 -2.27 0.00 0.00 179.45 178.82 2acy n LEU 33 N -4.26 0.90 -0.13 5.20 4.77 -0.73 -4.93 117.00 117.82 2acy n LEU 33 Ca -0.00 -0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.74 2acy n LEU 33 Cb 0.27 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2acy n LEU 33 CO 0.38 0.16 -0.02 0.61 -1.33 0.00 0.00 177.39 177.20 2acy n GLY 34 N 1.25 0.43 3.93 -0.72 0.00 -0.80 -4.92 105.19 104.35 2acy n GLY 34 Ca 0.16 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 2acy n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2acy s LEU 35 N -0.35 3.81 0.35 0.99 1.43 0.36 -4.91 118.68 120.36 2acy s LEU 35 Ca 0.00 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.77 2acy s LEU 35 Cb 0.00 -3.50 -0.07 0.00 0.03 0.00 0.00 46.19 42.65 2acy s LEU 35 CO 0.00 -0.47 -0.01 0.68 0.23 0.00 0.00 176.35 176.78 2acy s VAL 36 N -2.52 1.79 -4.99 -1.59 -7.23 -0.89 -4.38 120.40 100.59 2acy s VAL 36 Ca 0.44 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 2acy s VAL 36 Cb -0.10 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2acy s VAL 36 CO 0.40 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 2acy n GLY 37 N -0.80 0.71 3.62 2.32 0.00 -0.31 -1.60 105.19 109.13 2acy n GLY 37 Ca -0.04 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 2acy n GLY 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2acy s TRP 38 N -4.00 -0.36 0.00 1.61 1.48 -0.75 -0.98 118.94 115.95 2acy s TRP 38 Ca 0.00 0.05 0.01 0.00 -1.06 0.00 0.00 56.10 55.10 2acy s TRP 38 Cb 0.00 0.62 -0.00 0.00 -1.16 0.00 0.00 33.47 32.93 2acy s TRP 38 CO 0.00 -0.96 -0.02 0.54 -4.06 0.00 0.00 176.95 172.44 2acy s VAL 39 N -3.71 0.19 -0.08 -0.66 0.11 -0.50 -2.49 120.40 113.26 2acy s VAL 39 Ca 0.06 -0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 58.80 2acy s VAL 39 Cb -0.03 -0.17 0.04 0.00 -1.53 0.00 0.00 36.38 34.68 2acy s VAL 39 CO -0.04 0.02 0.39 -1.58 -3.33 0.00 0.00 175.10 170.56 2acy s GLN 40 N -0.14 0.63 0.19 1.54 0.74 0.46 -1.27 119.66 121.81 2acy s GLN 40 Ca 0.00 0.17 -0.24 0.00 0.05 0.00 0.00 55.36 55.34 2acy s GLN 40 Cb -0.01 0.29 -0.08 0.00 1.10 0.00 0.00 33.01 34.31 2acy s GLN 40 CO -0.00 -0.15 0.78 -0.80 -0.55 0.00 0.00 175.29 174.57 2acy s ASN 41 N -0.67 7.32 0.46 6.67 0.02 -1.26 -0.59 114.94 126.89 2acy s ASN 41 Ca -0.08 1.62 0.08 0.00 -1.02 0.00 0.00 52.86 53.46 2acy s ASN 41 Cb -0.04 -2.49 0.02 0.00 0.02 0.00 0.00 41.25 38.76 2acy s ASN 41 CO 0.03 0.15 0.53 0.42 0.02 0.00 0.00 177.10 178.26 2acy s THR 42 N -1.26 2.60 -2.00 1.60 -4.23 -0.35 -4.92 115.64 107.08 2acy s THR 42 Ca 0.38 -1.16 0.29 0.00 -1.18 0.00 0.00 61.69 60.02 2acy s THR 42 Cb -0.22 -2.77 0.82 0.00 1.34 0.00 0.00 72.50 71.68 2acy s THR 42 CO 0.25 0.00 2.10 0.47 -0.54 0.00 0.00 174.62 176.90 2acy n ASP 43 N -1.81 0.00 -1.20 3.99 8.00 -1.26 -3.29 116.55 120.98 2acy n ASP 43 Ca 0.07 -1.04 0.08 0.00 0.71 0.00 0.00 54.79 54.61 2acy n ASP 43 Cb 0.61 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 42.00 2acy n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2acy n GLN 44 N -0.96 3.44 -0.93 -1.24 6.02 -1.26 -4.93 117.38 117.52 2acy n GLN 44 Ca 0.22 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.47 2acy n GLN 44 Cb 0.10 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.57 2acy n GLN 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2acy n GLY 45 N 0.41 0.49 3.85 1.08 0.00 -1.21 -5.04 105.19 104.77 2acy n GLY 45 Ca 0.22 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2acy n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2acy s THR 46 N -2.00 1.27 -0.04 2.61 -4.23 -1.26 -4.69 115.64 107.30 2acy s THR 46 Ca 0.00 -1.76 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2acy s THR 46 Cb 0.00 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.81 2acy s THR 46 CO 0.00 0.00 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.23 2acy s VAL 47 N -2.86 1.30 0.22 2.29 1.01 -0.99 -1.21 120.40 120.16 2acy s VAL 47 Ca 0.16 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 2acy s VAL 47 Cb -0.01 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2acy s VAL 47 CO 0.10 0.38 0.16 0.00 0.00 0.00 0.00 175.10 175.73 2acy s GLN 48 N 0.05 1.28 0.00 2.72 -2.07 0.24 -0.44 119.66 121.43 2acy s GLN 48 Ca -0.03 -1.67 0.00 0.00 -1.82 0.00 0.00 55.36 51.84 2acy s GLN 48 Cb -0.11 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 2acy s GLN 48 CO 0.02 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 2acy n GLY 49 N -0.32 -0.52 3.16 2.60 0.00 -0.90 -0.40 105.19 108.81 2acy n GLY 49 Ca 0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 2acy n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2acy s GLN 50 N -1.32 0.68 0.04 1.61 -0.21 -1.04 -1.47 119.66 117.96 2acy s GLN 50 Ca 0.00 -0.76 0.06 0.00 0.02 0.00 0.00 55.36 54.68 2acy s GLN 50 Cb 0.00 0.27 -0.02 0.00 1.00 0.00 0.00 33.01 34.26 2acy s GLN 50 CO 0.00 -0.19 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.29 2acy s LEU 51 N -2.28 2.18 -0.03 2.90 1.43 -0.38 -1.81 118.68 120.69 2acy s LEU 51 Ca -0.03 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2acy s LEU 51 Cb 0.00 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.43 2acy s LEU 51 CO -0.06 0.10 0.08 -1.10 0.23 0.00 0.00 176.35 175.60 2acy s GLN 52 N -1.20 0.06 0.00 1.70 -0.21 -0.62 -1.50 119.66 117.89 2acy s GLN 52 Ca 0.05 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.59 2acy s GLN 52 Cb -0.08 -0.05 0.00 0.00 1.00 0.00 0.00 33.01 33.87 2acy s GLN 52 CO 0.02 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 2acy n GLY 53 N 3.46 -1.61 3.75 3.09 0.00 -0.55 -2.10 105.19 111.23 2acy n GLY 53 Ca -0.18 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 2acy n GLY 53 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2acy s PRO 54 N -1.78 4.20 0.29 1.61 0.02 -1.26 -0.66 135.00 137.42 2acy s PRO 54 Ca 0.00 2.44 0.03 0.00 0.02 0.00 0.00 61.00 63.49 2acy s PRO 54 Cb 0.00 -3.06 0.74 0.00 0.02 0.00 0.00 34.50 32.20 2acy s PRO 54 CO 0.00 -0.50 1.65 0.00 -0.33 0.00 0.00 177.00 177.82 2acy h ALA 55 N 4.67 1.34 -0.40 -1.55 0.00 -0.40 0.54 119.26 123.45 2acy h ALA 55 Ca -0.47 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2acy h ALA 55 Cb 1.22 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 2acy h ALA 55 CO 0.76 -0.46 -0.09 0.66 0.00 0.00 0.00 179.25 180.12 2acy h SER 56 N 0.24 0.68 -0.04 0.00 4.64 -1.58 -1.70 113.55 115.78 2acy h SER 56 Ca 0.56 -0.18 -0.24 0.00 -0.47 0.00 0.00 61.79 61.46 2acy h SER 56 Cb 1.14 -0.18 0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2acy h SER 56 CO -0.64 0.80 -0.90 0.11 -0.87 0.00 0.00 176.83 175.33 2acy h LYS 57 N 0.64 0.69 -0.74 4.77 1.79 -1.22 -2.90 116.57 119.59 2acy h LYS 57 Ca 0.12 -0.68 0.02 0.00 -2.18 0.00 0.00 60.65 57.92 2acy h LYS 57 Cb 0.53 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 31.32 2acy h LYS 57 CO 0.03 1.28 0.48 0.28 -1.08 0.00 0.00 179.45 180.44 2acy h VAL 58 N 0.36 1.15 -0.57 0.50 2.07 -0.99 -1.53 116.25 117.24 2acy h VAL 58 Ca -0.10 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 2acy h VAL 58 Cb 1.56 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2acy h VAL 58 CO 0.18 0.18 0.20 0.03 0.02 0.00 0.00 177.57 178.18 2acy h ARG 59 N 0.96 0.84 -0.57 1.57 2.47 -1.31 0.20 114.38 118.54 2acy h ARG 59 Ca 0.28 -0.14 -0.10 0.00 -1.26 0.00 0.00 59.98 58.77 2acy h ARG 59 Cb -0.05 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 2acy h ARG 59 CO -0.08 0.71 -0.03 1.25 0.56 0.00 0.00 179.97 182.37 2acy h HIS 60 N 0.82 1.09 -0.73 3.04 2.76 -1.24 -1.30 115.15 119.61 2acy h HIS 60 Ca 0.19 -0.19 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2acy h HIS 60 Cb 0.20 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.84 2acy h HIS 60 CO 0.01 0.98 0.27 1.98 -1.30 0.00 0.00 177.93 179.87 2acy h MET 61 N 0.91 1.09 -0.71 5.26 1.85 -0.26 -0.11 114.93 122.96 2acy h MET 61 Ca 0.16 -0.20 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 2acy h MET 61 Cb 0.57 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.39 2acy h MET 61 CO 0.03 0.90 0.25 1.96 -0.40 0.00 0.00 176.91 179.65 2acy h GLN 62 N 1.06 1.07 -0.42 0.39 4.20 -0.10 0.40 115.11 121.70 2acy h GLN 62 Ca 0.24 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2acy h GLN 62 Cb 0.24 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2acy h GLN 62 CO -0.02 0.89 -0.08 0.93 -0.67 0.00 0.00 178.83 179.89 2acy h GLU 63 N 1.04 0.80 -0.88 1.46 5.08 -0.66 -2.12 114.58 119.31 2acy h GLU 63 Ca 0.23 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2acy h GLU 63 Cb 0.25 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2acy h GLU 63 CO -0.01 0.91 0.57 2.35 -1.00 0.00 0.00 179.01 181.83 2acy h TRP 64 N 0.63 1.07 0.00 4.33 7.01 -0.49 0.01 115.95 128.51 2acy h TRP 64 Ca 0.11 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 2acy h TRP 64 Cb 0.60 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2acy h TRP 64 CO 0.05 0.63 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.09 2acy h LEU 65 N 1.12 0.00 0.00 0.65 3.38 -0.70 -0.83 115.31 118.93 2acy h LEU 65 Ca 0.34 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.01 2acy h LEU 65 Cb -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2acy h LEU 65 CO -0.10 0.17 -1.82 -0.62 0.09 0.00 0.00 178.44 176.16 2acy n GLU 66 N -3.41 0.64 -0.05 1.13 1.02 -0.71 -4.73 120.64 114.54 2acy n GLU 66 Ca -0.00 0.24 -0.06 0.00 -0.02 0.00 0.00 57.16 57.31 2acy n GLU 66 Cb 0.36 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 2acy n GLU 66 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2acy n THR 67 N -2.98 0.55 -0.01 2.62 -1.04 -0.09 -4.89 114.28 108.44 2acy n THR 67 Ca -0.19 -0.24 -0.01 0.00 -2.04 0.00 0.00 64.05 61.56 2acy n THR 67 Cb 1.06 -0.83 -0.00 0.00 -1.82 0.00 0.00 70.33 68.73 2acy n THR 67 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2acy n LYS 68 N -2.64 0.06 0.00 -2.82 4.81 -0.37 -4.93 118.16 112.27 2acy n LYS 68 Ca -0.16 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 2acy n LYS 68 Cb 0.70 -0.49 0.00 0.00 0.02 0.00 0.00 35.03 35.26 2acy n LYS 68 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2acy n GLY 69 N 2.03 0.36 3.85 3.14 0.00 -0.91 -4.69 105.19 108.97 2acy n GLY 69 Ca -0.02 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 2acy n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2acy s SER 70 N -4.00 6.28 0.30 1.61 1.04 -1.26 -4.94 113.70 112.73 2acy s SER 70 Ca 0.00 1.54 0.06 0.00 0.48 0.00 0.00 55.95 58.03 2acy s SER 70 Cb 0.00 -2.50 0.81 0.00 0.10 0.00 0.00 66.02 64.43 2acy s SER 70 CO 0.00 -0.83 1.70 -0.65 0.98 0.00 0.00 173.24 174.44 2acy h PRO 71 N 0.26 0.41 -0.56 4.02 0.11 -1.84 -0.57 132.00 133.82 2acy h PRO 71 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2acy h PRO 71 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2acy h PRO 71 CO 0.61 0.27 0.00 1.63 -0.21 0.00 0.00 178.00 180.30 2acy n LYS 72 N -5.02 2.47 -2.25 1.05 5.02 -1.26 -4.94 118.16 113.24 2acy n LYS 72 Ca 0.24 -2.27 -0.28 0.00 -2.02 0.00 0.00 58.31 53.98 2acy n LYS 72 Cb 0.72 -1.51 0.04 0.00 -0.02 0.00 0.00 35.03 34.26 2acy n LYS 72 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2acy s SER 73 N -1.16 5.54 -0.23 4.39 1.04 -0.22 -4.98 113.70 118.07 2acy s SER 73 Ca 0.42 0.83 -0.03 0.00 0.48 0.00 0.00 55.95 57.65 2acy s SER 73 Cb 0.23 -1.76 0.08 0.00 0.10 0.00 0.00 66.02 64.66 2acy s SER 73 CO 0.30 -1.15 0.09 -2.28 0.98 0.00 0.00 173.24 171.18 2acy s HIS 74 N -3.10 0.71 -0.29 5.02 2.46 -0.58 -4.88 115.29 114.64 2acy s HIS 74 Ca 0.55 -0.87 -0.25 0.00 0.47 0.00 0.00 55.06 54.96 2acy s HIS 74 Cb -0.11 -1.01 0.00 0.00 -0.13 0.00 0.00 32.58 31.33 2acy s HIS 74 CO 0.47 -0.69 0.87 0.42 -2.47 0.00 0.00 174.74 173.34 2acy s ILE 75 N 1.96 4.74 -0.09 0.89 1.01 -1.26 -0.53 121.20 127.92 2acy s ILE 75 Ca 0.04 1.45 0.11 0.00 0.00 0.00 0.00 60.65 62.25 2acy s ILE 75 Cb -0.17 -4.21 -0.24 0.00 0.01 0.00 0.00 42.46 37.86 2acy s ILE 75 CO -0.20 -0.25 0.48 0.47 0.00 0.00 0.00 174.94 175.44 2acy n ASP 76 N 6.30 0.93 -3.56 3.58 8.00 0.73 -4.98 116.55 127.55 2acy n ASP 76 Ca 0.06 0.29 -0.17 0.00 0.71 0.00 0.00 54.79 55.69 2acy n ASP 76 Cb 0.48 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 2acy n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2acy s ARG 77 N -2.57 0.98 -0.08 -1.24 3.52 -0.91 -5.01 118.95 113.64 2acy s ARG 77 Ca -0.09 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 2acy s ARG 77 Cb 0.07 0.46 0.02 0.00 -1.56 0.00 0.00 34.95 33.95 2acy s ARG 77 CO 0.81 -0.26 -0.06 0.00 -0.81 0.00 0.00 175.30 174.98 2acy s ALA 78 N -0.78 1.02 -0.10 6.12 0.00 -1.26 -0.74 121.76 126.02 2acy s ALA 78 Ca -0.08 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2acy s ALA 78 Cb -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2acy s ALA 78 CO 0.07 -0.25 -0.12 0.45 0.00 0.00 0.00 175.76 175.91 2acy s SER 79 N 1.42 4.13 -0.03 0.00 0.15 -0.14 -4.99 113.70 114.24 2acy s SER 79 Ca -0.02 -0.25 0.07 0.00 0.70 0.00 0.00 55.95 56.45 2acy s SER 79 Cb -0.13 -1.36 -0.02 0.00 -1.71 0.00 0.00 66.02 62.79 2acy s SER 79 CO -0.04 0.24 -0.24 -0.36 1.20 0.00 0.00 173.24 174.04 2acy s PHE 80 N -0.06 2.40 0.18 3.44 0.08 -1.26 -1.46 117.98 121.30 2acy s PHE 80 Ca -0.02 -0.45 -0.04 0.00 0.12 0.00 0.00 56.93 56.54 2acy s PHE 80 Cb -0.14 -1.53 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 2acy s PHE 80 CO 0.04 -0.04 0.19 -1.01 -0.10 0.00 0.00 175.22 174.30 2acy s HIS 81 N -0.55 0.83 -1.53 0.36 3.76 -0.15 -4.92 115.29 113.09 2acy s HIS 81 Ca 0.08 -1.14 -0.11 0.00 -0.15 0.00 0.00 55.06 53.74 2acy s HIS 81 Cb -0.11 -0.34 0.08 0.00 1.11 0.00 0.00 32.58 33.33 2acy s HIS 81 CO -0.00 -0.68 0.82 0.09 -0.85 0.00 0.00 174.74 174.12 2acy n ASN 82 N -0.23 -3.32 -4.73 1.40 3.02 -1.26 -0.90 115.26 109.24 2acy n ASN 82 Ca -0.02 -0.88 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 2acy n ASN 82 Cb 0.64 -3.49 -0.04 0.00 -0.61 0.00 0.00 39.78 36.29 2acy n ASN 82 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2acy s GLU 83 N -6.62 4.52 0.10 3.52 2.12 -1.26 -4.42 118.70 116.66 2acy s GLU 83 Ca 0.51 1.77 -0.10 0.00 0.36 0.00 0.00 54.97 57.51 2acy s GLU 83 Cb -0.26 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.84 2acy s GLU 83 CO 0.86 -0.07 0.23 0.15 -0.54 0.00 0.00 175.26 175.89 2acy s LYS 84 N 0.13 0.89 0.06 4.30 -0.14 -0.46 -5.00 119.74 119.52 2acy s LYS 84 Ca 0.53 -0.93 -0.11 0.00 -1.36 0.00 0.00 55.97 54.10 2acy s LYS 84 Cb -0.30 0.36 -0.06 0.00 -1.68 0.00 0.00 37.83 36.16 2acy s LYS 84 CO 0.33 -0.30 0.41 0.08 -0.76 0.00 0.00 175.35 175.12 2acy s VAL 85 N -3.86 5.07 0.07 3.17 1.01 -1.26 -1.54 120.40 123.07 2acy s VAL 85 Ca 0.05 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2acy s VAL 85 Cb 0.04 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2acy s VAL 85 CO -0.11 0.35 -0.05 0.27 0.00 0.00 0.00 175.10 175.56 2acy s ILE 86 N -1.33 0.47 -0.11 2.22 -4.36 -0.30 -4.92 121.20 112.86 2acy s ILE 86 Ca 0.31 -1.71 0.20 0.00 -0.26 0.00 0.00 60.65 59.19 2acy s ILE 86 Cb -0.15 -1.38 -0.25 0.00 1.25 0.00 0.00 42.46 41.93 2acy s ILE 86 CO 0.17 -0.82 0.46 1.33 0.24 0.00 0.00 174.94 176.31 2acy n VAL 87 N 0.32 0.70 -4.03 8.37 0.24 -1.26 -4.28 118.33 118.39 2acy n VAL 87 Ca -0.15 -0.65 -0.09 0.00 -2.04 0.00 0.00 64.34 61.41 2acy n VAL 87 Cb 0.60 -0.31 -0.11 0.00 -1.47 0.00 0.00 33.84 32.55 2acy n VAL 87 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2acy s LYS 88 N -3.08 0.45 0.24 7.34 2.20 -1.26 -5.03 119.74 120.59 2acy s LYS 88 Ca -0.07 -0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 54.43 2acy s LYS 88 Cb 0.10 0.10 -0.09 0.00 -1.51 0.00 0.00 37.83 36.43 2acy s LYS 88 CO 0.86 -0.06 0.85 -0.51 -0.36 0.00 0.00 175.35 176.13 2acy s LEU 89 N -2.02 4.49 -0.04 5.43 1.43 -1.26 -4.97 118.68 121.74 2acy s LEU 89 Ca -0.07 1.73 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 2acy s LEU 89 Cb -0.03 -3.62 -0.31 0.00 0.03 0.00 0.00 46.19 42.26 2acy s LEU 89 CO -0.04 0.09 0.72 0.44 0.23 0.00 0.00 176.35 177.79 2acy h ASP 90 N 3.81 0.63 -2.80 2.29 3.32 -2.00 -3.47 116.42 118.19 2acy h ASP 90 Ca -0.47 -0.93 -0.49 0.00 0.02 0.00 0.00 57.03 55.16 2acy h ASP 90 Cb 1.20 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 2acy h ASP 90 CO 0.66 1.74 -0.25 -0.31 -1.72 0.00 0.00 179.24 179.36 2acy s TYR 91 N -2.56 3.49 -0.56 4.55 2.02 -1.26 -5.02 117.35 118.01 2acy s TYR 91 Ca -0.15 0.35 0.12 0.00 -0.37 0.00 0.00 57.07 57.01 2acy s TYR 91 Cb 0.05 -1.88 -0.13 0.00 -0.40 0.00 0.00 41.96 39.60 2acy s TYR 91 CO 0.86 0.23 0.50 0.25 -1.57 0.00 0.00 175.55 175.83 2acy n THR 92 N -1.33 0.00 -4.04 -0.71 -2.24 -1.26 -4.86 114.28 99.84 2acy n THR 92 Ca -0.05 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.37 2acy n THR 92 Cb 0.55 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 2acy n THR 92 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2acy n ASP 93 N -1.29 -1.46 -4.27 3.42 2.03 -1.26 -4.99 116.55 108.73 2acy n ASP 93 Ca 0.02 -2.88 -0.39 0.00 0.52 0.00 0.00 54.79 52.06 2acy n ASP 93 Cb 0.19 2.69 -0.11 0.00 -0.72 0.00 0.00 41.12 43.16 2acy n ASP 93 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2acy s PHE 94 N -2.84 3.30 0.21 -0.67 2.19 -1.26 -1.17 117.98 117.75 2acy s PHE 94 Ca 0.28 -1.47 -0.00 0.00 0.33 0.00 0.00 56.93 56.06 2acy s PHE 94 Cb -0.01 -2.58 -0.04 0.00 -1.31 0.00 0.00 43.02 39.07 2acy s PHE 94 CO 0.20 -0.78 0.40 -0.65 1.83 0.00 0.00 175.22 176.23 2acy s GLN 95 N 1.41 3.52 -0.28 10.12 -0.21 -0.15 -4.92 119.66 129.15 2acy s GLN 95 Ca 0.01 -0.35 -0.08 0.00 0.02 0.00 0.00 55.36 54.96 2acy s GLN 95 Cb -0.21 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 30.96 2acy s GLN 95 CO 0.03 0.38 0.11 0.42 -2.12 0.00 0.00 175.29 174.10 2acy s ILE 96 N -1.91 4.40 -0.22 1.08 1.01 -1.26 -1.41 121.20 122.90 2acy s ILE 96 Ca 0.38 -0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 2acy s ILE 96 Cb -0.11 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2acy s ILE 96 CO 0.29 0.19 0.38 -0.69 0.00 0.00 0.00 174.94 175.12 2acy s VAL 97 N 1.60 5.20 0.00 2.92 1.01 -0.40 -4.96 120.40 125.77 2acy s VAL 97 Ca 0.05 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2acy s VAL 97 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2acy s VAL 97 CO 0.05 0.24 0.46 1.17 0.00 0.00 0.00 175.10 177.02