#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lab s PHE 2 N 0.00 3.96 0.88 0.00 2.19 -0.88 -4.98 117.98 119.14 1lab s PHE 2 Ca 0.00 -2.32 -0.15 0.00 0.33 0.00 0.00 56.93 54.79 1lab s PHE 2 Cb 0.00 -3.79 0.21 0.00 -1.31 0.00 0.00 43.02 38.12 1lab s PHE 2 CO 0.00 -0.96 1.09 0.39 1.83 0.00 0.00 175.22 177.57 1lab n GLU 3 N 3.41 -1.45 -0.10 10.12 4.71 -1.26 -0.03 120.64 136.04 1lab n GLU 3 Ca 0.18 -1.70 -0.09 0.00 -0.01 0.00 0.00 57.16 55.54 1lab n GLU 3 Cb 0.43 -1.21 -0.16 0.00 -1.01 0.00 0.00 31.44 29.49 1lab n GLU 3 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1lab n PHE 4 N -3.75 0.01 -4.51 -0.32 7.35 -1.15 -4.82 117.46 110.26 1lab n PHE 4 Ca 0.14 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.59 1lab n PHE 4 Cb 0.49 -0.98 -0.09 0.00 0.35 0.00 0.00 39.48 39.25 1lab n PHE 4 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1lab s LYS 5 N -2.54 1.82 0.53 -4.13 -0.14 -1.26 -5.04 119.74 108.98 1lab s LYS 5 Ca -0.10 -2.07 0.09 0.00 -1.36 0.00 0.00 55.97 52.53 1lab s LYS 5 Cb 0.06 -0.88 0.06 0.00 -1.68 0.00 0.00 37.83 35.39 1lab s LYS 5 CO 0.83 -0.30 0.69 -0.51 -0.76 0.00 0.00 175.35 175.30 1lab s LEU 6 N -3.58 3.21 -1.09 3.17 1.43 -1.26 -4.95 118.68 115.61 1lab s LEU 6 Ca 0.29 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.37 1lab s LEU 6 Cb 0.06 -1.85 -0.13 0.00 0.03 0.00 0.00 46.19 44.29 1lab s LEU 6 CO 0.14 -1.16 2.03 -2.84 0.23 0.00 0.00 176.35 174.75 1lab s PRO 7 N -4.54 2.00 0.00 1.29 0.02 -1.26 -4.28 135.00 128.24 1lab s PRO 7 Ca 0.57 -0.72 0.00 0.00 0.02 0.00 0.00 61.00 60.87 1lab s PRO 7 Cb -0.06 -5.11 0.00 0.00 0.02 0.00 0.00 34.50 29.35 1lab s PRO 7 CO 0.36 -4.46 0.00 -3.47 -0.33 0.00 0.00 177.00 169.10 1lab n ASP 8 N 16.39 0.00 -1.94 2.53 -0.08 -1.26 -4.96 116.55 127.23 1lab n ASP 8 Ca 0.43 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.69 1lab n ASP 8 Cb 0.46 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.92 1lab n ASP 8 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1lab n ILE 9 N -0.93 -0.06 0.00 5.18 -5.35 -1.26 -4.61 119.36 112.33 1lab n ILE 9 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1lab n ILE 9 Cb 0.00 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 1lab n ILE 9 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1lab n GLY 10 N -0.35 0.01 3.45 3.28 0.00 -1.26 -5.00 105.19 105.31 1lab n GLY 10 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1lab n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lab s GLU 11 N -1.03 -1.34 0.00 1.61 8.01 -1.26 -4.81 118.70 119.87 1lab s GLU 11 Ca 0.00 0.70 0.00 0.00 0.01 0.00 0.00 54.97 55.68 1lab s GLU 11 Cb 0.00 -1.52 0.00 0.00 -4.31 0.00 0.00 34.13 28.30 1lab s GLU 11 CO 0.00 -3.97 0.00 0.41 0.01 0.00 0.00 175.26 171.71 1lab n GLY 12 N 0.89 0.00 3.13 -1.39 0.00 -1.26 -3.76 105.19 102.80 1lab n GLY 12 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1lab n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lab s ILE 13 N -1.71 2.26 -0.23 -0.61 -1.09 -1.26 -4.99 121.20 113.57 1lab s ILE 13 Ca 0.00 -1.10 -0.10 0.00 -2.23 0.00 0.00 60.65 57.22 1lab s ILE 13 Cb 0.00 -2.07 -0.17 0.00 -1.58 0.00 0.00 42.46 38.63 1lab s ILE 13 CO 0.00 0.35 -0.08 0.00 -1.23 0.00 0.00 174.94 173.98 1lab n HIS 14 N 4.59 0.43 -3.50 3.97 1.44 -1.25 -4.81 115.22 116.09 1lab n HIS 14 Ca -0.19 0.14 -0.08 0.00 -2.01 0.00 0.00 57.72 55.58 1lab n HIS 14 Cb 0.48 -1.05 0.00 0.00 0.12 0.00 0.00 29.99 29.54 1lab n HIS 14 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1lab n GLU 15 N -3.89 1.15 -3.69 -1.40 1.02 -1.26 -2.77 120.64 109.79 1lab n GLU 15 Ca -0.44 -1.11 -0.17 0.00 -0.02 0.00 0.00 57.16 55.42 1lab n GLU 15 Cb 0.90 0.08 -0.16 0.00 -0.02 0.00 0.00 31.44 32.24 1lab n GLU 15 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1lab s GLY 16 N -2.50 0.09 -0.62 0.62 0.00 0.22 -4.94 107.32 100.19 1lab s GLY 16 Ca 0.12 0.44 -0.13 0.00 0.00 0.00 0.00 44.72 45.15 1lab s GLY 16 CO 0.08 1.40 0.55 1.85 0.00 0.00 0.00 173.10 176.98 1lab s GLU 17 N 1.99 3.06 -0.23 2.90 2.12 -1.25 -0.83 118.70 126.45 1lab s GLU 17 Ca 0.01 -2.02 -0.23 0.00 0.36 0.00 0.00 54.97 53.08 1lab s GLU 17 Cb -0.12 -4.23 -0.01 0.00 0.26 0.00 0.00 34.13 30.03 1lab s GLU 17 CO -0.05 -1.28 0.77 0.42 -0.54 0.00 0.00 175.26 174.59 1lab s ILE 18 N 0.98 4.88 -0.18 -3.70 1.01 -1.25 -1.40 121.20 121.54 1lab s ILE 18 Ca 0.09 1.46 -0.14 0.00 0.00 0.00 0.00 60.65 62.06 1lab s ILE 18 Cb -0.22 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1lab s ILE 18 CO -0.02 -0.03 -0.10 0.52 0.00 0.00 0.00 174.94 175.31 1lab n VAL 19 N 5.15 1.47 -4.07 2.92 0.31 0.24 -1.88 118.33 122.47 1lab n VAL 19 Ca 0.04 0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 1lab n VAL 19 Cb 0.48 -2.24 -0.11 0.00 -0.91 0.00 0.00 33.84 31.06 1lab n VAL 19 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1lab s LYS 20 N -2.39 0.54 0.48 5.55 2.20 -1.22 -4.38 119.74 120.53 1lab s LYS 20 Ca -0.23 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 54.64 1lab s LYS 20 Cb 0.05 -0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.08 1lab s LYS 20 CO 0.38 0.04 0.20 -1.58 -0.36 0.00 0.00 175.35 174.03 1lab s TRP 21 N -1.54 2.13 0.00 4.03 0.52 -1.26 -1.52 118.94 121.30 1lab s TRP 21 Ca -0.09 -0.76 0.00 0.00 0.02 0.00 0.00 56.10 55.28 1lab s TRP 21 Cb -0.09 -1.86 0.00 0.00 -1.15 0.00 0.00 33.47 30.37 1lab s TRP 21 CO -0.00 0.01 0.00 1.19 0.02 0.00 0.00 176.95 178.17 1lab n PHE 22 N -1.39 0.00 -2.92 -1.98 3.01 -1.26 -4.98 117.46 107.94 1lab n PHE 22 Ca -0.06 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.34 1lab n PHE 22 Cb 0.65 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.14 1lab n PHE 22 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1lab n VAL 23 N -0.71 0.00 0.00 -4.37 0.24 -1.26 -4.96 118.33 107.27 1lab n VAL 23 Ca 0.00 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1lab n VAL 23 Cb 0.00 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.46 1lab n VAL 23 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1lab n LYS 24 N -1.41 3.35 -0.96 7.34 4.01 -1.26 -4.77 118.16 124.45 1lab n LYS 24 Ca 0.05 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.50 1lab n LYS 24 Cb 0.18 -0.92 0.04 0.00 -0.51 0.00 0.00 35.03 33.82 1lab n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1lab n PRO 25 N -1.78 0.00 -1.00 1.97 -0.04 -1.26 -5.05 135.00 127.84 1lab n PRO 25 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1lab n PRO 25 Cb 0.42 -0.96 0.12 0.00 -0.04 0.00 0.00 33.50 33.05 1lab n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lab n GLY 26 N 3.35 4.22 0.00 0.55 0.00 -1.24 -4.91 105.19 107.16 1lab n GLY 26 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1lab n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lab n ASP 27 N -0.68 0.00 -4.65 1.61 2.03 -1.26 -3.27 116.55 110.33 1lab n ASP 27 Ca 0.47 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.44 1lab n ASP 27 Cb 1.22 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 41.53 1lab n ASP 27 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1lab s GLU 28 N 0.00 3.97 0.50 -0.67 2.02 -1.26 0.28 118.70 123.54 1lab s GLU 28 Ca 0.00 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.68 1lab s GLU 28 Cb 0.00 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1lab s GLU 28 CO 0.00 0.30 0.01 0.54 0.02 0.00 0.00 175.26 176.13 1lab s VAL 29 N 0.31 1.18 0.00 2.63 0.11 0.09 -4.97 120.40 119.75 1lab s VAL 29 Ca 0.04 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.09 1lab s VAL 29 Cb -0.12 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.51 1lab s VAL 29 CO -0.00 0.00 0.00 -0.46 -3.33 0.00 0.00 175.10 171.31 1lab n ASN 30 N -1.25 0.00 -2.56 3.54 0.23 -1.26 -3.25 115.26 110.71 1lab n ASN 30 Ca -0.18 -0.65 -0.23 0.00 -0.53 0.00 0.00 54.58 53.00 1lab n ASN 30 Cb 0.67 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.37 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1lab n GLU 31 N -0.65 2.86 -0.52 -3.83 2.13 -1.26 -3.11 120.64 116.26 1lab n GLU 31 Ca 0.00 -4.23 -0.01 0.00 0.66 0.00 0.00 57.16 53.58 1lab n GLU 31 Cb 0.00 -2.01 -0.01 0.00 0.27 0.00 0.00 31.44 29.69 1lab n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1lab n ASP 32 N -0.36 -0.17 -3.77 4.31 5.75 -1.26 -4.91 116.55 116.13 1lab n ASP 32 Ca 0.32 -0.37 -0.14 0.00 -0.01 0.00 0.00 54.79 54.59 1lab n ASP 32 Cb 0.68 0.05 0.06 0.00 -1.03 0.00 0.00 41.12 40.88 1lab n ASP 32 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1lab n ASP 33 N 0.00 1.12 -2.64 -1.12 2.03 -1.26 -4.94 116.55 109.74 1lab n ASP 33 Ca -0.05 -1.87 -0.08 0.00 0.52 0.00 0.00 54.79 53.32 1lab n ASP 33 Cb 0.30 -0.34 0.06 0.00 -0.72 0.00 0.00 41.12 40.42 1lab n ASP 33 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1lab n VAL 34 N -2.07 0.00 -2.33 5.18 0.24 -1.26 -2.55 118.33 115.54 1lab n VAL 34 Ca 0.11 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1lab n VAL 34 Cb 0.38 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 1lab n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lab n LEU 35 N 0.00 0.00 -4.44 1.34 -0.00 -1.24 -2.90 117.00 109.75 1lab n LEU 35 Ca 0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.79 1lab n LEU 35 Cb 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.46 1lab n LEU 35 CO 0.11 -0.01 -0.51 0.00 -0.00 0.00 0.00 177.39 176.98 1lab s GLU 37 N -3.00 2.68 0.19 0.00 2.12 -0.58 -3.98 118.70 116.13 1lab s GLU 37 Ca 0.24 -1.16 0.11 0.00 0.36 0.00 0.00 54.97 54.52 1lab s GLU 37 Cb -0.07 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1lab s GLU 37 CO 0.12 -0.69 -0.22 0.08 -0.54 0.00 0.00 175.26 174.01 1lab s VAL 38 N 1.45 2.21 0.07 3.70 1.01 -0.89 -0.59 120.40 127.35 1lab s VAL 38 Ca -0.00 -2.03 0.07 0.00 0.00 0.00 0.00 61.98 60.02 1lab s VAL 38 Cb -0.20 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1lab s VAL 38 CO 0.04 -0.19 -0.15 -1.58 0.00 0.00 0.00 175.10 173.22 1lab s GLN 39 N -2.76 2.08 0.22 2.72 0.74 -0.49 0.04 119.66 122.20 1lab s GLN 39 Ca 0.20 -1.00 0.04 0.00 0.05 0.00 0.00 55.36 54.64 1lab s GLN 39 Cb -0.07 -2.24 -0.01 0.00 1.10 0.00 0.00 33.01 31.79 1lab s GLN 39 CO 0.09 0.53 0.14 0.27 -0.55 0.00 0.00 175.29 175.77 1lab n ASN 40 N 1.19 0.15 0.00 6.67 6.94 0.04 -3.85 115.26 126.40 1lab n ASN 40 Ca -0.15 -2.36 0.00 0.00 -0.02 0.00 0.00 54.58 52.05 1lab n ASN 40 Cb 0.52 0.89 0.00 0.00 -2.36 0.00 0.00 39.78 38.83 1lab n ASN 40 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1lab n ASP 41 N -2.01 0.00 0.00 0.53 5.75 -1.26 -2.93 116.55 116.63 1lab n ASP 41 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 1lab n ASP 41 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1lab n ASP 41 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1lab n LYS 42 N -0.86 4.34 -0.97 0.11 5.02 -1.26 -5.12 118.16 119.42 1lab n LYS 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1lab n LYS 42 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 1lab n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lab n ALA 43 N -0.24 0.00 -2.99 7.82 0.00 -1.15 -5.13 120.51 118.82 1lab n ALA 43 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1lab n ALA 43 Cb 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 1lab n ALA 43 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lab s VAL 44 N 0.89 1.67 0.17 0.00 1.01 -1.26 -0.78 120.40 122.09 1lab s VAL 44 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1lab s VAL 44 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1lab s VAL 44 CO 0.00 0.47 -0.06 -0.69 0.00 0.00 0.00 175.10 174.82 1lab s VAL 45 N 0.12 3.40 -0.12 2.92 1.01 0.11 -4.93 120.40 122.91 1lab s VAL 45 Ca -0.08 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.42 1lab s VAL 45 Cb -0.14 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1lab s VAL 45 CO 0.04 -0.08 -0.22 -1.83 0.00 0.00 0.00 175.10 173.01 1lab s GLU 46 N -2.77 3.06 -0.76 2.72 -1.05 -1.26 -2.10 118.70 116.53 1lab s GLU 46 Ca 0.25 -0.86 0.03 0.00 -0.15 0.00 0.00 54.97 54.25 1lab s GLU 46 Cb -0.09 -2.38 0.19 0.00 -0.44 0.00 0.00 34.13 31.40 1lab s GLU 46 CO 0.16 0.10 0.60 -0.89 0.95 0.00 0.00 175.26 176.18 1lab n ILE 47 N 3.76 2.10 -0.07 1.83 -0.00 -1.26 -4.98 119.36 120.75 1lab n ILE 47 Ca -0.19 -4.97 0.00 0.00 -0.00 0.00 0.00 62.75 57.59 1lab n ILE 47 Cb 0.52 -2.24 0.00 0.00 -0.00 0.00 0.00 39.64 37.92 1lab n ILE 47 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1lab n PRO 48 N 1.99 -0.66 -3.36 0.38 -0.04 -1.26 -3.73 135.00 128.31 1lab n PRO 48 Ca 0.21 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.23 1lab n PRO 48 Cb 0.36 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.74 1lab n PRO 48 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1lab s SER 49 N -1.89 6.16 0.21 3.54 1.04 -1.06 -4.69 113.70 117.02 1lab s SER 49 Ca 0.00 -1.11 -0.09 0.00 0.48 0.00 0.00 55.95 55.23 1lab s SER 49 Cb 0.00 -2.20 0.28 0.00 0.10 0.00 0.00 66.02 64.20 1lab s SER 49 CO 0.00 -0.64 1.78 -0.65 0.98 0.00 0.00 173.24 174.71 1lab h PRO 50 N 8.76 0.56 -5.01 4.02 0.11 -1.92 -3.38 132.00 135.14 1lab h PRO 50 Ca -0.28 -0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.38 1lab h PRO 50 Cb 1.11 -0.13 -0.14 0.00 0.11 0.00 0.00 31.00 31.95 1lab h PRO 50 CO 0.85 0.37 -0.59 0.54 -0.21 0.00 0.00 178.00 178.97 1lab s VAL 51 N -6.08 0.72 0.38 3.15 0.11 -1.26 -4.91 120.40 112.52 1lab s VAL 51 Ca -0.13 -2.00 0.08 0.00 -2.93 0.00 0.00 61.98 57.00 1lab s VAL 51 Cb 0.17 -2.63 -0.02 0.00 -1.53 0.00 0.00 36.38 32.37 1lab s VAL 51 CO 0.76 0.00 0.38 -1.59 -3.33 0.00 0.00 175.10 171.32 1lab s LYS 52 N -3.92 2.70 0.00 1.54 0.00 -1.18 -4.61 119.74 114.27 1lab s LYS 52 Ca 0.35 -1.36 0.00 0.00 0.00 0.00 0.00 55.97 54.96 1lab s LYS 52 Cb 0.07 -2.51 0.00 0.00 0.00 0.00 0.00 37.83 35.39 1lab s LYS 52 CO 0.15 -0.08 0.00 0.41 0.00 0.00 0.00 175.35 175.83 1lab n GLY 53 N -1.54 0.43 3.62 0.59 0.00 -1.20 -4.23 105.19 102.86 1lab n GLY 53 Ca 0.02 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 1lab n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lab s LYS 54 N 0.00 2.01 -0.47 1.61 2.47 -0.90 -0.73 119.74 123.74 1lab s LYS 54 Ca 0.00 -1.87 0.09 0.00 -1.56 0.00 0.00 55.97 52.63 1lab s LYS 54 Cb 0.00 -1.83 0.35 0.00 -1.46 0.00 0.00 37.83 34.89 1lab s LYS 54 CO 0.00 0.07 0.85 0.28 0.16 0.00 0.00 175.35 176.72 1lab n VAL 55 N -0.95 1.49 0.00 4.02 0.31 0.14 -2.10 118.33 121.24 1lab n VAL 55 Ca -0.04 -5.02 0.00 0.00 -0.01 0.00 0.00 64.34 59.27 1lab n VAL 55 Cb 0.64 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1lab n VAL 55 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1lab n LEU 56 N -0.01 0.00 -4.09 7.52 4.77 -1.25 -3.72 117.00 120.23 1lab n LEU 56 Ca 0.28 0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.45 1lab n LEU 56 Cb 0.54 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1lab n LEU 56 CO 0.28 -0.07 -0.14 -1.83 -1.33 0.00 0.00 177.39 174.30 1lab s GLU 57 N -1.62 1.15 -0.01 3.23 -1.05 -1.26 -4.88 118.70 114.26 1lab s GLU 57 Ca 0.00 -1.39 0.02 0.00 -0.15 0.00 0.00 54.97 53.45 1lab s GLU 57 Cb 0.00 0.32 -0.00 0.00 -0.44 0.00 0.00 34.13 34.01 1lab s GLU 57 CO 0.00 -0.39 -0.06 0.42 0.95 0.00 0.00 175.26 176.18 1lab s ILE 58 N -4.05 0.45 -0.19 1.83 1.09 -1.26 -3.31 121.20 115.76 1lab s ILE 58 Ca 0.26 -0.24 -0.15 0.00 -1.10 0.00 0.00 60.65 59.42 1lab s ILE 58 Cb 0.05 -0.39 -0.07 0.00 -1.06 0.00 0.00 42.46 40.99 1lab s ILE 58 CO 0.05 0.13 -0.33 0.18 -0.10 0.00 0.00 174.94 174.88 1lab n LEU 59 N 3.00 1.85 -3.38 2.97 4.32 0.43 -4.77 117.00 121.42 1lab n LEU 59 Ca -0.14 0.31 -0.29 0.00 -0.02 0.00 0.00 56.01 55.88 1lab n LEU 59 Cb 0.58 -0.72 -0.06 0.00 -1.62 0.00 0.00 43.42 41.59 1lab n LEU 59 CO 0.25 -0.05 0.21 0.52 -1.22 0.00 0.00 177.39 177.10 1lab n VAL 60 N -4.31 2.83 0.00 4.08 0.31 -1.26 -5.03 118.33 114.96 1lab n VAL 60 Ca -0.25 -5.37 0.00 0.00 -0.01 0.00 0.00 64.34 58.71 1lab n VAL 60 Cb 0.60 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1lab n VAL 60 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1lab n PRO 61 N 0.66 0.00 -4.18 5.55 -0.04 -1.26 -4.85 135.00 130.87 1lab n PRO 61 Ca 0.30 0.55 -0.15 0.00 -0.04 0.00 0.00 63.50 64.16 1lab n PRO 61 Cb 0.40 -1.10 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 1lab n PRO 61 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1lab s GLU 62 N -1.38 1.56 0.00 0.54 -1.05 -1.26 -4.84 118.70 112.26 1lab s GLU 62 Ca 0.00 -1.73 0.00 0.00 -0.15 0.00 0.00 54.97 53.09 1lab s GLU 62 Cb 0.00 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 1lab s GLU 62 CO 0.00 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.04 1lab n GLY 63 N -0.45 2.85 3.01 -3.83 0.00 -0.79 -4.97 105.19 101.01 1lab n GLY 63 Ca 0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1lab n GLY 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1lab n THR 64 N 0.00 0.00 -4.35 2.61 -1.04 -1.26 -4.95 114.28 105.29 1lab n THR 64 Ca 0.00 -1.55 -0.32 0.00 -2.04 0.00 0.00 64.05 60.15 1lab n THR 64 Cb 0.00 -0.50 -0.10 0.00 -1.82 0.00 0.00 70.33 67.91 1lab n THR 64 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1lab s VAL 65 N -1.87 3.81 0.10 12.58 1.01 -1.26 -3.78 120.40 130.99 1lab s VAL 65 Ca 0.42 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.71 1lab s VAL 65 Cb -0.03 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1lab s VAL 65 CO 0.26 0.33 -0.26 0.00 0.00 0.00 0.00 175.10 175.44 1lab s ALA 66 N -1.08 2.27 0.01 5.51 0.00 -0.01 -4.94 121.76 123.53 1lab s ALA 66 Ca 0.19 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1lab s ALA 66 Cb -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.60 1lab s ALA 66 CO 0.10 0.52 0.00 -2.37 0.00 0.00 0.00 175.76 174.01 1lab n THR 67 N 1.26 0.00 -4.44 0.00 5.66 -1.26 0.71 114.28 116.21 1lab n THR 67 Ca -0.18 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.58 1lab n THR 67 Cb 0.53 -0.17 -0.10 0.00 -1.55 0.00 0.00 70.33 69.04 1lab n THR 67 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1lab s VAL 68 N 2.81 2.63 0.00 1.08 1.01 -1.12 -4.49 120.40 122.32 1lab s VAL 68 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.70 1lab s VAL 68 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1lab s VAL 68 CO 0.00 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1lab n GLY 69 N -0.70 2.77 3.89 4.51 0.00 -1.26 -4.80 105.19 109.59 1lab n GLY 69 Ca -0.05 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1lab n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lab s GLN 70 N 0.00 3.73 0.35 1.61 0.74 -1.26 -5.09 119.66 119.75 1lab s GLN 70 Ca 0.00 0.25 0.05 0.00 0.05 0.00 0.00 55.36 55.71 1lab s GLN 70 Cb 0.00 -2.55 0.05 0.00 1.10 0.00 0.00 33.01 31.62 1lab s GLN 70 CO 0.00 0.14 0.45 2.41 -0.55 0.00 0.00 175.29 177.75 1lab n THR 71 N -0.89 0.00 0.00 -0.34 -1.04 -1.26 -4.77 114.28 105.98 1lab n THR 71 Ca 0.00 -1.21 0.00 0.00 -2.04 0.00 0.00 64.05 60.80 1lab n THR 71 Cb 0.54 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 1lab n THR 71 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1lab n LEU 72 N 0.00 0.00 -4.18 -4.42 7.94 -1.26 -4.76 117.00 110.32 1lab n LEU 72 Ca 0.08 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.87 1lab n LEU 72 Cb 0.37 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.22 1lab n LEU 72 CO 0.24 -0.48 -0.29 -0.51 -1.11 0.00 0.00 177.39 175.24 1lab s ILE 73 N -0.96 0.18 0.06 1.96 2.07 -1.26 -0.43 121.20 122.82 1lab s ILE 73 Ca 0.00 -1.94 -0.00 0.00 -1.41 0.00 0.00 60.65 57.30 1lab s ILE 73 Cb 0.00 -2.17 -0.04 0.00 0.13 0.00 0.00 42.46 40.38 1lab s ILE 73 CO 0.00 -0.36 -0.04 0.28 -1.91 0.00 0.00 174.94 172.92 1lab s THR 74 N -4.00 0.34 0.06 4.00 -1.32 -1.21 -2.92 115.64 110.59 1lab s THR 74 Ca 0.28 -1.84 0.05 0.00 -1.21 0.00 0.00 61.69 58.96 1lab s THR 74 Cb 0.07 -1.57 -0.03 0.00 -1.51 0.00 0.00 72.50 69.47 1lab s THR 74 CO 0.05 -0.96 -0.15 -0.22 -2.21 0.00 0.00 174.62 171.13 1lab s LEU 75 N -2.95 2.24 0.11 9.08 0.20 0.96 -3.91 118.68 124.40 1lab s LEU 75 Ca 0.08 -0.57 0.07 0.00 0.69 0.00 0.00 54.13 54.41 1lab s LEU 75 Cb 0.07 -0.58 -0.04 0.00 -0.43 0.00 0.00 46.19 45.22 1lab s LEU 75 CO -0.08 -0.03 -0.10 1.51 -0.29 0.00 0.00 176.35 177.36 1lab s ASP 76 N -1.55 4.37 -0.07 3.68 1.47 -0.89 -2.08 116.67 121.60 1lab s ASP 76 Ca -0.00 -0.40 0.00 0.00 1.18 0.00 0.00 52.55 53.33 1lab s ASP 76 Cb -0.09 -0.82 -0.05 0.00 -0.34 0.00 0.00 42.92 41.62 1lab s ASP 76 CO 0.02 0.17 -0.07 0.00 0.68 0.00 0.00 175.17 175.97 1lab n ALA 77 N 0.66 1.90 -2.00 2.11 0.00 -1.22 -2.11 120.51 119.85 1lab n ALA 77 Ca -0.13 -0.31 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 1lab n ALA 77 Cb 0.52 0.34 0.08 0.00 0.00 0.00 0.00 19.45 20.40 1lab n ALA 77 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1lab s PRO 78 N -2.15 2.00 0.00 0.00 0.05 -1.26 -4.68 135.00 128.96 1lab s PRO 78 Ca -0.10 -1.24 0.00 0.00 0.05 0.00 0.00 61.00 59.71 1lab s PRO 78 Cb 0.03 -2.46 0.00 0.00 0.05 0.00 0.00 34.50 32.12 1lab s PRO 78 CO 0.17 -1.15 0.00 0.41 0.05 0.00 0.00 177.00 176.47 1lab n GLY 79 N -2.57 2.69 0.00 0.56 0.00 -1.26 -5.21 105.19 99.40 1lab n GLY 79 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1lab n GLY 79 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30