#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 1.04 0.00 0.00 2.19 -1.03 -4.96 117.98 115.22 1lab s PHE 2 Ca 0.00 -1.79 0.00 0.00 0.33 0.00 0.00 56.93 55.47 1lab s PHE 2 Cb 0.00 -1.18 0.00 0.00 -1.31 0.00 0.00 43.02 40.53 1lab s PHE 2 CO 0.00 -0.82 0.00 -0.85 1.83 0.00 0.00 175.22 175.38 1lab n GLU 3 N 4.00 0.64 -0.06 10.12 0.00 -1.26 -0.62 120.64 133.46 1lab n GLU 3 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.05 1lab n GLU 3 Cb 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.68 1lab n GLU 3 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1lab h PHE 4 N -0.50 0.18 -3.14 -1.84 3.57 -1.91 -3.47 116.94 109.82 1lab h PHE 4 Ca 0.00 -0.13 -0.48 0.00 3.53 0.00 0.00 57.97 60.89 1lab h PHE 4 Cb 0.00 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 38.60 1lab h PHE 4 CO 0.00 1.51 -0.55 0.15 -2.23 0.00 0.00 178.31 177.19 1lab s LYS 5 N -2.41 1.74 0.47 1.11 -0.14 -1.26 -5.09 119.74 114.15 1lab s LYS 5 Ca -0.25 -2.01 0.08 0.00 -1.36 0.00 0.00 55.97 52.42 1lab s LYS 5 Cb 0.05 -0.49 0.02 0.00 -1.68 0.00 0.00 37.83 35.72 1lab s LYS 5 CO 0.67 -0.40 0.51 -0.51 -0.76 0.00 0.00 175.35 174.87 1lab s LEU 6 N -3.49 3.30 -0.83 3.17 1.43 -1.26 -4.87 118.68 116.12 1lab s LEU 6 Ca 0.31 -0.75 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 1lab s LEU 6 Cb 0.05 -2.00 -0.18 0.00 0.03 0.00 0.00 46.19 44.09 1lab s LEU 6 CO 0.16 -0.88 2.33 -2.65 0.23 0.00 0.00 176.35 175.53 1lab n PRO 7 N -1.80 0.43 0.00 1.29 -0.02 -1.26 -4.44 135.00 129.20 1lab n PRO 7 Ca 0.06 -0.76 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 1lab n PRO 7 Cb 0.61 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 1lab n PRO 7 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1lab n ASP 8 N 16.43 0.00 -3.50 2.55 -0.08 -1.26 -4.96 116.55 125.73 1lab n ASP 8 Ca 0.49 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.52 1lab n ASP 8 Cb 0.38 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.80 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 -0.80 0.00 -2.09 5.18 -5.35 -1.26 -4.84 119.36 110.20 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 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 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 -0.81 4.72 3.75 3.28 0.00 -1.24 -4.97 105.19 109.92 1lab n GLY 10 Ca 0.07 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 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 2.27 4.79 0.00 1.61 0.41 -1.26 -4.00 118.70 122.52 1lab s GLU 11 Ca 0.00 1.52 0.00 0.00 -0.41 0.00 0.00 54.97 56.08 1lab s GLU 11 Cb 0.00 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1lab s GLU 11 CO 0.00 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.58 1lab n GLY 12 N 1.67 2.34 3.03 -1.39 0.00 -1.26 -5.01 105.19 104.57 1lab n GLY 12 Ca -0.01 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 0.69 0.04 -0.61 -1.09 -1.26 -5.02 121.20 113.96 1lab s ILE 13 Ca 0.00 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 1lab s ILE 13 Cb 0.00 -0.60 0.00 0.00 -1.58 0.00 0.00 42.46 40.28 1lab s ILE 13 CO 0.00 0.12 0.00 1.57 -1.23 0.00 0.00 174.94 175.40 1lab n HIS 14 N 2.66 -0.30 -4.38 3.97 -0.00 -1.26 -3.68 115.22 112.23 1lab n HIS 14 Ca -0.15 0.05 -0.27 0.00 -0.00 0.00 0.00 57.72 57.35 1lab n HIS 14 Cb 0.57 0.31 -0.08 0.00 -0.00 0.00 0.00 29.99 30.79 1lab n HIS 14 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1lab s GLU 15 N -2.00 2.14 0.06 1.57 1.03 -1.26 -1.76 118.70 118.47 1lab s GLU 15 Ca 0.00 -2.04 -0.17 0.00 0.03 0.00 0.00 54.97 52.79 1lab s GLU 15 Cb 0.00 -1.80 0.03 0.00 -0.80 0.00 0.00 34.13 31.56 1lab s GLU 15 CO 0.00 -0.18 0.40 0.20 -1.33 0.00 0.00 175.26 174.35 1lab s GLY 16 N -3.87 -0.25 -0.04 -3.83 0.00 0.28 -4.90 107.32 94.71 1lab s GLY 16 Ca 0.33 0.22 0.06 0.00 0.00 0.00 0.00 44.72 45.32 1lab s GLY 16 CO 0.18 -0.03 -0.22 1.85 0.00 0.00 0.00 173.10 174.87 1lab s GLU 17 N -2.68 2.11 -0.34 2.90 -6.30 -1.26 -1.02 118.70 112.11 1lab s GLU 17 Ca -0.04 -0.79 -0.10 0.00 -2.50 0.00 0.00 54.97 51.54 1lab s GLU 17 Cb -0.00 -1.87 0.00 0.00 0.00 0.00 0.00 34.13 32.26 1lab s GLU 17 CO -0.04 0.37 0.18 0.42 0.02 0.00 0.00 175.26 176.22 1lab s ILE 18 N -0.22 4.66 -0.09 -3.70 1.01 -1.24 -2.95 121.20 118.67 1lab s ILE 18 Ca 0.00 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 1lab s ILE 18 Cb -0.12 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 38.76 1lab s ILE 18 CO 0.02 -0.05 0.60 0.58 0.00 0.00 0.00 174.94 176.09 1lab h VAL 19 N 5.72 0.82 -4.10 2.92 2.07 -1.66 0.21 116.25 122.23 1lab h VAL 19 Ca -0.30 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 65.73 1lab h VAL 19 Cb 1.13 1.47 -0.16 0.00 -1.52 0.00 0.00 31.29 32.21 1lab h VAL 19 CO 0.64 0.25 -0.62 -0.75 0.02 0.00 0.00 177.57 177.10 1lab s LYS 20 N -2.62 0.61 0.43 1.57 2.20 -1.26 -4.40 119.74 116.27 1lab s LYS 20 Ca -0.11 -1.06 0.07 0.00 -0.36 0.00 0.00 55.97 54.51 1lab s LYS 20 Cb -0.01 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 1lab s LYS 20 CO 0.39 -0.13 0.19 -1.58 -0.36 0.00 0.00 175.35 173.86 1lab s TRP 21 N -3.49 2.52 0.00 4.03 0.52 -1.26 -2.84 118.94 118.41 1lab s TRP 21 Ca 0.03 -0.62 0.00 0.00 0.02 0.00 0.00 56.10 55.53 1lab s TRP 21 Cb 0.05 -1.95 0.00 0.00 -1.15 0.00 0.00 33.47 30.42 1lab s TRP 21 CO -0.09 0.14 0.00 1.19 0.02 0.00 0.00 176.95 178.22 1lab n PHE 22 N -1.27 0.00 -2.88 -1.98 3.01 -1.15 -5.03 117.46 108.15 1lab n PHE 22 Ca -0.02 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.24 1lab n PHE 22 Cb 0.65 0.13 0.06 0.00 -0.01 0.00 0.00 39.48 40.31 1lab n PHE 22 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1lab s VAL 23 N -1.85 2.38 0.27 -4.37 -7.23 -1.26 -5.06 120.40 103.27 1lab s VAL 23 Ca 0.00 -0.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.35 1lab s VAL 23 Cb 0.00 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 1lab s VAL 23 CO 0.00 0.00 -0.02 -1.59 -0.31 0.00 0.00 175.10 173.18 1lab s LYS 24 N -4.72 1.49 -0.12 4.82 0.00 -1.26 -5.09 119.74 114.85 1lab s LYS 24 Ca 0.61 -1.77 -0.29 0.00 0.00 0.00 0.00 55.97 54.52 1lab s LYS 24 Cb -0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 37.83 36.83 1lab s LYS 24 CO 0.39 -0.05 1.18 -1.25 0.00 0.00 0.00 175.35 175.62 1lab s PRO 25 N -3.80 4.31 0.00 1.78 0.04 -1.26 -2.66 135.00 133.40 1lab s PRO 25 Ca 0.30 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1lab s PRO 25 Cb 0.05 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1lab s PRO 25 CO 0.11 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1lab n GLY 26 N 3.41 1.13 3.90 0.56 0.00 0.11 -4.94 105.19 109.36 1lab n GLY 26 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1lab n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lab s ASP 27 N -1.61 3.84 0.07 1.61 1.11 -1.09 -4.75 116.67 115.85 1lab s ASP 27 Ca 0.00 0.59 0.09 0.00 0.18 0.00 0.00 52.55 53.41 1lab s ASP 27 Cb 0.00 -0.91 -0.03 0.00 1.07 0.00 0.00 42.92 43.05 1lab s ASP 27 CO 0.00 -2.31 -0.23 -1.61 1.18 0.00 0.00 175.17 172.20 1lab s GLU 28 N -5.68 1.79 0.40 8.23 2.02 -1.26 0.55 118.70 124.75 1lab s GLU 28 Ca 0.67 -1.13 0.05 0.00 0.02 0.00 0.00 54.97 54.58 1lab s GLU 28 Cb -0.08 -2.04 -0.07 0.00 0.10 0.00 0.00 34.13 32.04 1lab s GLU 28 CO 0.51 0.50 0.02 0.54 0.02 0.00 0.00 175.26 176.86 1lab s VAL 29 N -0.92 1.67 -0.01 2.63 0.11 -0.06 -4.92 120.40 118.91 1lab s VAL 29 Ca 0.14 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 57.19 1lab s VAL 29 Cb -0.10 -2.84 -0.01 0.00 -1.53 0.00 0.00 36.38 31.90 1lab s VAL 29 CO 0.05 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.62 1lab n ASN 30 N -0.95 4.86 -3.31 3.54 5.15 -1.26 -3.56 115.26 119.73 1lab n ASN 30 Ca -0.06 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.65 1lab n ASN 30 Cb 0.67 0.54 0.03 0.00 -0.53 0.00 0.00 39.78 40.48 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1lab n GLU 31 N -2.00 -2.02 -1.35 1.20 4.07 -1.26 -4.25 120.64 115.03 1lab n GLU 31 Ca -0.01 1.59 -0.04 0.00 -0.06 0.00 0.00 57.16 58.64 1lab n GLU 31 Cb 0.49 -3.35 -0.03 0.00 -0.06 0.00 0.00 31.44 28.50 1lab n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1lab n ASP 32 N -0.49 -0.58 -1.74 4.31 5.75 -1.26 -4.62 116.55 117.92 1lab n ASP 32 Ca -0.04 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1lab n ASP 32 Cb 0.61 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 1lab n ASP 32 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1lab n ASP 33 N -0.10 1.72 -4.22 -1.12 8.00 -1.26 -5.10 116.55 114.47 1lab n ASP 33 Ca -0.19 -0.87 -0.13 0.00 0.71 0.00 0.00 54.79 54.31 1lab n ASP 33 Cb 0.81 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.81 1lab n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1lab s VAL 34 N -0.48 0.79 0.00 2.53 1.01 -1.26 -4.36 120.40 118.63 1lab s VAL 34 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1lab s VAL 34 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.48 1lab s VAL 34 CO 0.00 -0.68 0.00 0.18 0.00 0.00 0.00 175.10 174.60 1lab n LEU 35 N -0.16 0.00 -4.58 3.92 7.99 -1.26 -4.30 117.00 118.60 1lab n LEU 35 Ca -0.09 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.64 1lab n LEU 35 Cb 0.62 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.83 1lab n LEU 35 CO 0.32 0.00 -0.26 0.00 -1.51 0.00 0.00 177.39 175.94 1lab s GLU 37 N -3.80 0.64 0.01 0.00 2.12 -1.13 -1.83 118.70 114.70 1lab s GLU 37 Ca 0.28 -0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.38 1lab s GLU 37 Cb 0.07 -0.62 -0.01 0.00 0.26 0.00 0.00 34.13 33.83 1lab s GLU 37 CO 0.14 0.12 -0.02 0.08 -0.54 0.00 0.00 175.26 175.04 1lab s VAL 38 N 0.01 0.09 -0.38 3.70 1.01 -0.11 -1.76 120.40 122.96 1lab s VAL 38 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 1lab s VAL 38 Cb -0.05 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.22 1lab s VAL 38 CO -0.00 -0.27 0.19 -1.58 0.00 0.00 0.00 175.10 173.44 1lab s GLN 39 N -0.82 2.64 0.30 2.72 0.74 -1.15 -2.12 119.66 121.96 1lab s GLN 39 Ca -0.09 -1.29 0.03 0.00 0.05 0.00 0.00 55.36 54.07 1lab s GLN 39 Cb -0.06 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1lab s GLN 39 CO -0.01 -0.80 0.17 0.54 -0.55 0.00 0.00 175.29 174.64 1lab s ASN 40 N 1.74 1.41 0.00 6.67 4.22 -0.15 -4.56 114.94 124.27 1lab s ASN 40 Ca 0.01 -1.57 0.00 0.00 -2.14 0.00 0.00 52.86 49.17 1lab s ASN 40 Cb -0.21 0.41 0.00 0.00 1.28 0.00 0.00 41.25 42.73 1lab s ASN 40 CO 0.03 -0.90 0.00 -0.90 -2.04 0.00 0.00 177.10 173.29 1lab n ASP 41 N -0.94 0.00 0.00 3.54 5.75 -1.26 0.37 116.55 124.01 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 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 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 -0.76 0.99 -3.85 0.11 5.02 -1.26 -5.09 118.16 113.32 1lab n LYS 42 Ca 0.00 -0.13 -0.21 0.00 -2.02 0.00 0.00 58.31 55.95 1lab n LYS 42 Cb 0.00 -0.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.45 1lab n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lab s ALA 43 N -0.18 3.81 0.00 7.82 0.00 0.16 -5.01 121.76 128.36 1lab s ALA 43 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1lab s ALA 43 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1lab s ALA 43 CO 0.00 0.04 0.00 0.28 0.00 0.00 0.00 175.76 176.08 1lab n VAL 44 N -1.35 0.00 -4.04 0.00 0.31 -0.90 -0.97 118.33 111.37 1lab n VAL 44 Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 1lab n VAL 44 Cb 0.59 -0.52 -0.06 0.00 -0.91 0.00 0.00 33.84 32.94 1lab n VAL 44 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1lab s VAL 45 N -1.70 2.73 0.00 2.52 1.01 -1.08 -0.93 120.40 122.95 1lab s VAL 45 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1lab s VAL 45 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1lab s VAL 45 CO 0.00 -0.10 0.00 -0.62 0.00 0.00 0.00 175.10 174.38 1lab n GLU 46 N -1.23 0.00 -3.01 2.72 1.02 -1.16 -4.03 120.64 114.96 1lab n GLU 46 Ca -0.02 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 1lab n GLU 46 Cb 0.62 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.98 1lab n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1lab s ILE 47 N -0.67 4.44 0.62 -3.67 1.09 -0.76 -4.97 121.20 117.28 1lab s ILE 47 Ca 0.00 1.53 0.05 0.00 -1.10 0.00 0.00 60.65 61.13 1lab s ILE 47 Cb 0.00 -3.99 0.10 0.00 -1.06 0.00 0.00 42.46 37.50 1lab s ILE 47 CO 0.00 0.34 0.86 -2.16 -0.10 0.00 0.00 174.94 173.88 1lab s PRO 48 N -1.63 2.09 0.37 2.79 0.04 -1.26 -4.62 135.00 132.78 1lab s PRO 48 Ca 0.41 -1.39 0.01 0.00 0.04 0.00 0.00 61.00 60.07 1lab s PRO 48 Cb -0.20 -2.53 -0.00 0.00 0.04 0.00 0.00 34.50 31.81 1lab s PRO 48 CO 0.23 -1.06 0.05 0.43 0.04 0.00 0.00 177.00 176.69 1lab n SER 49 N -2.46 2.32 0.01 6.66 7.64 -1.26 -4.96 113.62 121.56 1lab n SER 49 Ca 0.15 -2.75 -0.10 0.00 1.01 0.00 0.00 58.87 57.17 1lab n SER 49 Cb 0.61 0.51 -0.14 0.00 -1.01 0.00 0.00 64.21 64.18 1lab n SER 49 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1lab h PRO 50 N 0.00 0.05 -4.62 1.43 0.14 -1.99 -3.45 132.00 123.55 1lab h PRO 50 Ca -0.30 -0.08 -0.25 0.00 0.14 0.00 0.00 66.00 65.50 1lab h PRO 50 Cb 1.00 0.03 -0.15 0.00 0.14 0.00 0.00 31.00 32.02 1lab h PRO 50 CO 0.49 0.72 -0.63 0.54 0.14 0.00 0.00 178.00 179.26 1lab s VAL 51 N -2.62 0.21 0.61 1.56 0.11 -1.26 -4.97 120.40 114.05 1lab s VAL 51 Ca -0.05 -1.97 0.06 0.00 -2.93 0.00 0.00 61.98 57.08 1lab s VAL 51 Cb 0.08 -2.35 0.09 0.00 -1.53 0.00 0.00 36.38 32.68 1lab s VAL 51 CO 0.82 -0.19 0.84 -1.59 -3.33 0.00 0.00 175.10 171.65 1lab s LYS 52 N -4.07 2.15 0.00 1.54 -2.85 -1.26 -4.62 119.74 110.62 1lab s LYS 52 Ca 0.33 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 1lab s LYS 52 Cb 0.07 -2.55 0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1lab s LYS 52 CO 0.08 -1.00 0.00 0.41 0.10 0.00 0.00 175.35 174.94 1lab n GLY 53 N -2.41 0.07 3.83 0.59 0.00 -1.23 -4.52 105.19 101.51 1lab n GLY 53 Ca 0.15 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 2.31 -0.56 1.61 2.47 -1.25 -0.88 119.74 121.44 1lab s LYS 54 Ca 0.00 -1.85 0.07 0.00 -1.56 0.00 0.00 55.97 52.63 1lab s LYS 54 Cb 0.00 -2.10 0.26 0.00 -1.46 0.00 0.00 37.83 34.53 1lab s LYS 54 CO 0.00 -0.32 0.71 0.28 0.16 0.00 0.00 175.35 176.18 1lab n VAL 55 N -1.50 1.58 0.00 4.02 0.31 0.19 -3.67 118.33 119.26 1lab n VAL 55 Ca -0.01 -4.93 0.00 0.00 -0.01 0.00 0.00 64.34 59.39 1lab n VAL 55 Cb 0.64 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 0.87 0.00 -4.04 7.52 4.77 -1.26 0.05 117.00 124.91 1lab n LEU 56 Ca 0.28 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.54 1lab n LEU 56 Cb 0.45 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1lab n LEU 56 CO 0.34 -0.10 -0.26 -1.61 -1.33 0.00 0.00 177.39 174.42 1lab s GLU 57 N -1.80 0.77 -0.15 3.23 2.02 -1.26 -2.91 118.70 118.60 1lab s GLU 57 Ca 0.00 -1.21 -0.02 0.00 0.02 0.00 0.00 54.97 53.76 1lab s GLU 57 Cb 0.00 0.26 0.04 0.00 0.10 0.00 0.00 34.13 34.53 1lab s GLU 57 CO 0.00 -0.20 -0.00 0.42 0.02 0.00 0.00 175.26 175.50 1lab s ILE 58 N -3.94 0.68 -0.13 -1.63 1.01 -1.26 -3.67 121.20 112.26 1lab s ILE 58 Ca 0.11 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1lab s ILE 58 Cb 0.07 -0.98 -0.25 0.00 0.01 0.00 0.00 42.46 41.30 1lab s ILE 58 CO -0.07 0.03 0.32 0.18 0.00 0.00 0.00 174.94 175.41 1lab n LEU 59 N 5.02 2.63 -3.90 2.97 4.77 -0.04 -4.69 117.00 123.76 1lab n LEU 59 Ca -0.09 0.20 -0.28 0.00 -0.03 0.00 0.00 56.01 55.80 1lab n LEU 59 Cb 0.48 -1.10 -0.12 0.00 -2.33 0.00 0.00 43.42 40.35 1lab n LEU 59 CO 0.13 0.84 -0.02 0.52 -1.33 0.00 0.00 177.39 177.54 1lab n VAL 60 N -3.51 1.70 0.00 4.08 0.31 -1.25 -5.08 118.33 114.59 1lab n VAL 60 Ca -0.33 -4.89 0.00 0.00 -0.01 0.00 0.00 64.34 59.11 1lab n VAL 60 Cb 1.03 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1lab n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1lab n PRO 61 N 1.95 0.00 -4.40 5.55 -0.02 -1.26 -4.89 135.00 131.93 1lab n PRO 61 Ca 0.20 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.48 1lab n PRO 61 Cb 0.35 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.74 1lab n PRO 61 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1lab s GLU 62 N 0.00 1.66 -1.52 -0.52 -1.05 -1.26 -4.80 118.70 111.22 1lab s GLU 62 Ca 0.00 -1.95 -0.01 0.00 -0.15 0.00 0.00 54.97 52.85 1lab s GLU 62 Cb 0.00 -0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.30 1lab s GLU 62 CO 0.00 -0.39 0.10 0.41 0.95 0.00 0.00 175.26 176.34 1lab n GLY 63 N -0.66 -0.50 3.13 -3.83 0.00 0.73 -4.94 105.19 99.10 1lab n GLY 63 Ca -0.01 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1lab n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lab s THR 64 N -2.93 0.41 -0.12 2.61 2.01 -1.26 -5.01 115.64 111.35 1lab s THR 64 Ca 0.06 -1.87 -0.11 0.00 0.31 0.00 0.00 61.69 60.08 1lab s THR 64 Cb -0.03 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 1lab s THR 64 CO 0.07 -0.92 0.24 -0.69 -0.69 0.00 0.00 174.62 172.63 1lab s VAL 65 N -3.80 5.34 0.04 3.82 1.01 -1.26 -3.68 120.40 121.86 1lab s VAL 65 Ca 0.10 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.57 1lab s VAL 65 Cb 0.07 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1lab s VAL 65 CO -0.07 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.37 1lab s ALA 66 N -0.39 1.49 0.00 5.51 0.00 -0.19 -4.95 121.76 123.23 1lab s ALA 66 Ca 0.16 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1lab s ALA 66 Cb -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1lab s ALA 66 CO 0.05 0.32 0.00 0.25 0.00 0.00 0.00 175.76 176.38 1lab n THR 67 N 1.91 0.00 -4.40 0.00 -2.24 -1.26 0.10 114.28 108.39 1lab n THR 67 Ca -0.17 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 1lab n THR 67 Cb 0.54 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 1lab n THR 67 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1lab s VAL 68 N 3.20 2.19 0.00 2.28 1.01 -0.72 -4.52 120.40 123.83 1lab s VAL 68 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 59.95 1lab s VAL 68 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1lab s VAL 68 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1lab n GLY 69 N 0.19 2.42 3.92 4.51 0.00 -1.26 -4.81 105.19 110.16 1lab n GLY 69 Ca -0.12 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 3.58 0.27 1.61 0.74 -1.26 -5.09 119.66 119.51 1lab s GLN 70 Ca 0.00 -0.14 0.04 0.00 0.05 0.00 0.00 55.36 55.31 1lab s GLN 70 Cb 0.00 -2.71 0.04 0.00 1.10 0.00 0.00 33.01 31.44 1lab s GLN 70 CO 0.00 0.27 0.33 2.41 -0.55 0.00 0.00 175.29 177.76 1lab n THR 71 N -0.90 0.00 0.06 -0.34 -1.04 -1.26 -4.61 114.28 106.19 1lab n THR 71 Ca -0.03 -0.95 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 1lab n THR 71 Cb 0.54 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 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 -0.47 -4.30 -4.42 7.94 -1.26 -4.77 117.00 109.72 1lab n LEU 72 Ca 0.06 0.20 -0.16 0.00 -1.11 0.00 0.00 56.01 55.00 1lab n LEU 72 Cb 0.29 0.59 -0.10 0.00 0.53 0.00 0.00 43.42 44.73 1lab n LEU 72 CO 0.18 -0.49 -0.31 -0.51 -1.11 0.00 0.00 177.39 175.16 1lab s ILE 73 N -1.32 0.78 0.05 1.96 2.07 -1.26 -0.87 121.20 122.62 1lab s ILE 73 Ca 0.00 -2.00 -0.01 0.00 -1.41 0.00 0.00 60.65 57.22 1lab s ILE 73 Cb 0.00 -2.37 -0.04 0.00 0.13 0.00 0.00 42.46 40.18 1lab s ILE 73 CO 0.00 -0.27 -0.02 0.28 -1.91 0.00 0.00 174.94 173.01 1lab s THR 74 N -3.59 0.22 0.06 4.00 -1.32 -1.24 -3.53 115.64 110.24 1lab s THR 74 Ca 0.30 -1.77 0.02 0.00 -1.21 0.00 0.00 61.69 59.02 1lab s THR 74 Cb 0.07 -1.49 -0.03 0.00 -1.51 0.00 0.00 72.50 69.53 1lab s THR 74 CO 0.09 -0.98 -0.06 -0.22 -2.21 0.00 0.00 174.62 171.23 1lab s LEU 75 N -2.89 2.38 0.06 9.08 0.20 0.21 -4.12 118.68 123.60 1lab s LEU 75 Ca 0.06 -0.77 0.08 0.00 0.69 0.00 0.00 54.13 54.20 1lab s LEU 75 Cb 0.08 -0.07 -0.03 0.00 -0.43 0.00 0.00 46.19 45.73 1lab s LEU 75 CO -0.10 -0.35 -0.22 1.51 -0.29 0.00 0.00 176.35 176.89 1lab s ASP 76 N -2.28 2.69 0.00 3.68 1.47 -1.24 -2.46 116.67 118.54 1lab s ASP 76 Ca -0.00 -0.58 0.00 0.00 1.18 0.00 0.00 52.55 53.15 1lab s ASP 76 Cb -0.02 -0.21 0.00 0.00 -0.34 0.00 0.00 42.92 42.34 1lab s ASP 76 CO -0.03 0.17 0.00 0.00 0.68 0.00 0.00 175.17 175.99 1lab n ALA 77 N 1.65 2.88 -0.01 2.11 0.00 -1.26 -3.77 120.51 122.10 1lab n ALA 77 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1lab n ALA 77 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 1lab n ALA 77 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1lab h PRO 78 N 0.00 0.18 -3.28 0.00 0.13 -1.96 -3.44 132.00 123.63 1lab h PRO 78 Ca 0.00 -0.30 -0.30 0.00 -0.87 0.00 0.00 66.00 64.53 1lab h PRO 78 Cb 0.00 0.11 -0.35 0.00 0.13 0.00 0.00 31.00 30.89 1lab h PRO 78 CO 0.00 1.15 -0.67 0.20 -0.23 0.00 0.00 178.00 178.44 1lab s GLY 79 N -4.72 0.08 0.00 1.56 0.00 -1.26 -5.07 107.32 97.91 1lab s GLY 79 Ca -0.20 0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1lab s GLY 79 CO 0.74 1.22 0.29 1.58 0.00 0.00 0.00 173.10 176.93