#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 2.37 0.19 0.00 2.19 0.87 -4.92 117.98 118.68 1lab s PHE 2 Ca 0.00 -1.04 0.03 0.00 0.33 0.00 0.00 56.93 56.25 1lab s PHE 2 Cb 0.00 -1.62 0.03 0.00 -1.31 0.00 0.00 43.02 40.12 1lab s PHE 2 CO 0.00 -0.45 0.24 0.39 1.83 0.00 0.00 175.22 177.23 1lab n GLU 3 N 3.77 0.94 -0.13 10.12 1.02 -1.26 -0.71 120.64 134.40 1lab n GLU 3 Ca -0.20 -1.09 -0.21 0.00 -0.02 0.00 0.00 57.16 55.65 1lab n GLU 3 Cb 0.52 -0.04 -0.11 0.00 -0.02 0.00 0.00 31.44 31.80 1lab n GLU 3 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1lab n PHE 4 N -1.32 0.00 -4.31 -0.32 7.35 -1.25 -4.90 117.46 112.71 1lab n PHE 4 Ca 0.04 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.56 1lab n PHE 4 Cb 0.21 -0.94 -0.10 0.00 0.35 0.00 0.00 39.48 38.99 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 -2.49 1.24 0.00 -4.13 -0.14 -1.26 -5.10 119.74 107.86 1lab s LYS 5 Ca -0.34 -1.55 0.00 0.00 -1.36 0.00 0.00 55.97 52.72 1lab s LYS 5 Cb 0.10 -0.93 0.00 0.00 -1.68 0.00 0.00 37.83 35.33 1lab s LYS 5 CO 0.53 0.13 0.00 1.28 -0.76 0.00 0.00 175.35 176.54 1lab n LEU 6 N -0.32 0.00 -4.50 3.17 4.77 -1.26 -4.89 117.00 113.98 1lab n LEU 6 Ca -0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 1lab n LEU 6 Cb 0.61 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 1lab n LEU 6 CO 0.34 -0.39 1.23 -2.65 -1.33 0.00 0.00 177.39 174.59 1lab n PRO 7 N -0.78 0.25 0.00 3.23 -0.02 -1.26 -4.37 135.00 132.05 1lab n PRO 7 Ca 0.00 -0.99 0.00 0.00 -2.02 0.00 0.00 63.50 60.49 1lab n PRO 7 Cb 0.00 -3.19 0.00 0.00 -0.02 0.00 0.00 33.50 30.29 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 16.21 0.00 -4.18 2.55 2.03 -1.26 -4.97 116.55 126.94 1lab n ASP 8 Ca 0.42 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.38 1lab n ASP 8 Cb 0.42 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.74 1lab n ASP 8 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1lab n ILE 9 N -0.13 -0.32 -1.96 5.18 -5.35 -1.26 -4.87 119.36 110.65 1lab n ILE 9 Ca 0.00 -0.16 -0.17 0.00 -0.27 0.00 0.00 62.75 62.15 1lab n ILE 9 Cb 0.00 -0.60 0.11 0.00 -1.74 0.00 0.00 39.64 37.40 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 -1.51 -0.48 3.79 3.28 0.00 -1.26 -4.95 105.19 104.05 1lab n GLY 10 Ca -0.04 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 -4.50 4.52 0.00 1.61 2.02 -1.26 -3.97 118.70 117.12 1lab s GLU 11 Ca 0.45 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.69 1lab s GLU 11 Cb -0.02 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1lab s GLU 11 CO 0.31 0.28 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1lab n GLY 12 N 0.51 2.34 2.62 -1.39 0.00 -1.26 -4.85 105.19 103.15 1lab n GLY 12 Ca 0.02 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 0.16 -0.22 -0.61 1.01 -1.26 -4.99 121.20 115.29 1lab s ILE 13 Ca 0.00 -0.69 0.15 0.00 0.00 0.00 0.00 60.65 60.11 1lab s ILE 13 Cb 0.00 -1.00 0.65 0.00 0.01 0.00 0.00 42.46 42.11 1lab s ILE 13 CO 0.00 -0.54 1.57 0.00 0.00 0.00 0.00 174.94 175.96 1lab n HIS 14 N 5.16 1.45 -4.32 3.97 1.44 -1.25 -4.68 115.22 117.00 1lab n HIS 14 Ca -0.06 -0.88 -0.14 0.00 -2.01 0.00 0.00 57.72 54.63 1lab n HIS 14 Cb 0.44 -0.42 -0.03 0.00 0.12 0.00 0.00 29.99 30.10 1lab n HIS 14 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1lab n GLU 15 N -0.14 1.33 -3.48 -1.40 0.00 -1.26 -3.36 120.64 112.33 1lab n GLU 15 Ca 0.26 -1.62 -0.23 0.00 0.00 0.00 0.00 57.16 55.56 1lab n GLU 15 Cb 1.04 0.51 -0.13 0.00 0.00 0.00 0.00 31.44 32.87 1lab n GLU 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1lab s GLY 16 N -2.22 0.18 -0.92 -1.84 0.00 0.23 -4.85 107.32 97.89 1lab s GLY 16 Ca 0.02 -0.59 -0.17 0.00 0.00 0.00 0.00 44.72 43.98 1lab s GLY 16 CO 0.01 2.29 1.04 1.85 0.00 0.00 0.00 173.10 178.29 1lab s GLU 17 N 2.23 3.65 -0.61 2.90 2.12 -1.19 -0.39 118.70 127.41 1lab s GLU 17 Ca 0.09 -2.06 -0.25 0.00 0.36 0.00 0.00 54.97 53.10 1lab s GLU 17 Cb -0.15 -4.77 0.04 0.00 0.26 0.00 0.00 34.13 29.51 1lab s GLU 17 CO -0.31 -1.61 1.06 0.42 -0.54 0.00 0.00 175.26 174.27 1lab s ILE 18 N 1.76 4.18 -0.12 -3.70 1.01 -1.26 0.08 121.20 123.15 1lab s ILE 18 Ca 0.29 0.33 -0.21 0.00 0.00 0.00 0.00 60.65 61.06 1lab s ILE 18 Cb -0.06 -4.67 -0.26 0.00 0.01 0.00 0.00 42.46 37.47 1lab s ILE 18 CO -0.09 -1.35 0.61 0.58 0.00 0.00 0.00 174.94 174.69 1lab h VAL 19 N 6.04 1.25 -4.09 2.92 2.07 -1.67 -2.68 116.25 120.10 1lab h VAL 19 Ca -0.27 -2.38 -0.11 0.00 0.82 0.00 0.00 66.70 64.76 1lab h VAL 19 Cb 1.07 2.86 -0.15 0.00 -1.52 0.00 0.00 31.29 33.55 1lab h VAL 19 CO 1.16 0.62 -0.58 -0.75 0.02 0.00 0.00 177.57 178.04 1lab s LYS 20 N -2.40 0.68 0.29 1.57 2.20 -0.94 -3.80 119.74 117.34 1lab s LYS 20 Ca -0.20 -1.12 0.09 0.00 -0.36 0.00 0.00 55.97 54.38 1lab s LYS 20 Cb 0.03 0.25 -0.06 0.00 -1.51 0.00 0.00 37.83 36.54 1lab s LYS 20 CO 0.73 -0.16 -0.13 -1.58 -0.36 0.00 0.00 175.35 173.86 1lab s TRP 21 N -3.84 2.17 0.00 4.03 0.52 -1.26 -0.69 118.94 119.86 1lab s TRP 21 Ca 0.06 -0.49 0.00 0.00 0.02 0.00 0.00 56.10 55.68 1lab s TRP 21 Cb 0.07 -1.11 0.00 0.00 -1.15 0.00 0.00 33.47 31.28 1lab s TRP 21 CO -0.10 0.53 0.00 1.19 0.02 0.00 0.00 176.95 178.59 1lab n PHE 22 N -0.63 0.00 -3.03 -1.98 3.01 0.44 -4.90 117.46 110.37 1lab n PHE 22 Ca -0.06 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.21 1lab n PHE 22 Cb 0.62 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.15 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 -1.93 2.07 -0.01 -4.37 -7.23 -1.25 -4.98 120.40 102.69 1lab s VAL 23 Ca 0.00 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.21 1lab s VAL 23 Cb 0.00 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.86 1lab s VAL 23 CO 0.00 0.00 -0.12 -1.59 -0.31 0.00 0.00 175.10 173.08 1lab s LYS 24 N -4.70 1.01 1.00 4.82 0.00 -1.26 -5.12 119.74 115.48 1lab s LYS 24 Ca 0.63 -0.45 -0.13 0.00 0.00 0.00 0.00 55.97 56.01 1lab s LYS 24 Cb -0.05 -0.98 0.10 0.00 0.00 0.00 0.00 37.83 36.90 1lab s LYS 24 CO 0.40 0.27 0.55 -0.35 0.00 0.00 0.00 175.35 176.21 1lab n PRO 25 N 2.75 -0.77 -1.94 1.78 -0.04 -1.26 -3.60 135.00 131.91 1lab n PRO 25 Ca -0.14 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 1lab n PRO 25 Cb 0.56 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 1.28 -0.32 0.00 0.55 0.00 0.25 -4.93 105.19 102.02 1lab n GLY 26 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.62 0.00 -4.62 1.61 -0.08 -1.24 -4.60 116.55 106.99 1lab n ASP 27 Ca 0.00 -0.85 -0.35 0.00 -1.51 0.00 0.00 54.79 52.08 1lab n ASP 27 Cb 0.32 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.68 1lab n ASP 27 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1lab s GLU 28 N -2.09 3.97 0.27 -0.67 0.41 -1.26 -2.74 118.70 116.59 1lab s GLU 28 Ca 0.00 -0.34 0.08 0.00 -0.41 0.00 0.00 54.97 54.31 1lab s GLU 28 Cb 0.00 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 1lab s GLU 28 CO 0.00 0.17 0.11 0.54 -0.49 0.00 0.00 175.26 175.59 1lab s VAL 29 N 0.68 3.83 0.00 2.63 0.11 0.63 -4.97 120.40 123.31 1lab s VAL 29 Ca 0.05 -1.65 0.00 0.00 -2.93 0.00 0.00 61.98 57.44 1lab s VAL 29 Cb -0.13 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1lab s VAL 29 CO 0.02 -0.34 0.00 -3.20 -3.33 0.00 0.00 175.10 168.25 1lab n ASN 30 N -1.06 0.00 -2.83 3.54 5.15 -1.26 -2.23 115.26 116.57 1lab n ASN 30 Ca -0.06 -0.42 -0.28 0.00 -0.60 0.00 0.00 54.58 53.21 1lab n ASN 30 Cb 0.59 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.82 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 -0.42 3.44 0.00 1.20 2.13 -1.26 -3.07 120.64 122.66 1lab n GLU 31 Ca 0.00 -4.68 0.00 0.00 0.66 0.00 0.00 57.16 53.14 1lab n GLU 31 Cb 0.00 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.45 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 -0.33 0.00 -2.54 4.31 5.68 -1.25 -4.90 116.55 117.52 1lab n ASP 32 Ca 0.36 -0.10 -0.05 0.00 -0.50 0.00 0.00 54.79 54.50 1lab n ASP 32 Cb 0.47 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1lab n ASP 32 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1lab n ASP 33 N 0.00 0.25 -4.84 -1.12 2.03 -1.26 -4.76 116.55 106.85 1lab n ASP 33 Ca 0.00 -1.23 -0.27 0.00 0.52 0.00 0.00 54.79 53.81 1lab n ASP 33 Cb 0.03 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 1lab n ASP 33 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1lab s VAL 34 N -0.69 1.74 0.00 5.18 1.01 -1.26 -1.40 120.40 124.98 1lab s VAL 34 Ca 0.15 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.50 1lab s VAL 34 Cb -0.01 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1lab s VAL 34 CO 0.10 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.38 1lab n LEU 35 N -1.55 0.00 -4.53 3.92 4.32 -1.22 -4.63 117.00 113.31 1lab n LEU 35 Ca -0.05 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.70 1lab n LEU 35 Cb 0.65 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.35 1lab n LEU 35 CO 0.40 0.00 -0.26 0.00 -1.22 0.00 0.00 177.39 176.32 1lab s GLU 37 N -3.82 1.60 0.10 0.00 2.12 0.13 -3.14 118.70 115.67 1lab s GLU 37 Ca 0.31 -1.81 0.05 0.00 0.36 0.00 0.00 54.97 53.88 1lab s GLU 37 Cb 0.07 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 1lab s GLU 37 CO 0.14 -0.89 0.02 0.08 -0.54 0.00 0.00 175.26 174.07 1lab s VAL 38 N 0.93 4.11 0.33 3.70 1.01 0.87 -1.83 120.40 129.52 1lab s VAL 38 Ca 0.08 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.18 1lab s VAL 38 Cb -0.19 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 1lab s VAL 38 CO -0.07 0.10 -0.10 -1.58 0.00 0.00 0.00 175.10 173.45 1lab s GLN 39 N -2.39 1.75 0.33 2.72 0.74 0.11 0.66 119.66 123.58 1lab s GLN 39 Ca 0.27 -1.89 -0.06 0.00 0.05 0.00 0.00 55.36 53.72 1lab s GLN 39 Cb -0.12 -1.59 0.02 0.00 1.10 0.00 0.00 33.01 32.43 1lab s GLN 39 CO 0.19 0.13 0.54 0.27 -0.55 0.00 0.00 175.29 175.88 1lab n ASN 40 N -0.73 -1.55 0.00 6.67 6.94 0.48 -3.17 115.26 123.90 1lab n ASN 40 Ca -0.05 -2.60 0.00 0.00 -0.02 0.00 0.00 54.58 51.90 1lab n ASN 40 Cb 0.63 2.73 0.00 0.00 -2.36 0.00 0.00 39.78 40.78 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 -1.59 0.00 0.00 0.53 5.75 -1.26 -2.93 116.55 117.04 1lab n ASP 41 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1lab n ASP 41 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 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 -1.16 0.00 -2.56 0.11 5.02 -1.26 -5.11 118.16 113.20 1lab n LYS 42 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1lab n LYS 42 Cb 0.00 -0.34 -0.04 0.00 -0.02 0.00 0.00 35.03 34.63 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 -1.00 2.89 -0.24 7.82 0.00 -1.15 -5.02 121.76 125.06 1lab s ALA 43 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1lab s ALA 43 Cb 0.00 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 19.93 1lab s ALA 43 CO 0.00 -0.28 -0.09 0.08 0.00 0.00 0.00 175.76 175.47 1lab s VAL 44 N -1.98 1.87 0.31 0.00 1.01 -1.26 -0.39 120.40 119.95 1lab s VAL 44 Ca 0.67 -1.38 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1lab s VAL 44 Cb -0.16 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1lab s VAL 44 CO 0.20 -0.01 0.00 -0.69 0.00 0.00 0.00 175.10 174.60 1lab s VAL 45 N 1.25 2.97 0.17 2.92 1.01 0.21 -4.93 120.40 124.00 1lab s VAL 45 Ca -0.06 -1.96 0.11 0.00 0.00 0.00 0.00 61.98 60.07 1lab s VAL 45 Cb -0.19 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1lab s VAL 45 CO -0.06 -0.28 -0.21 -1.83 0.00 0.00 0.00 175.10 172.72 1lab s GLU 46 N -3.70 1.65 -0.12 2.72 -1.05 -1.26 -0.09 118.70 116.85 1lab s GLU 46 Ca 0.33 -1.40 0.03 0.00 -0.15 0.00 0.00 54.97 53.78 1lab s GLU 46 Cb -0.03 -1.95 0.01 0.00 -0.44 0.00 0.00 34.13 31.71 1lab s GLU 46 CO 0.20 0.42 -0.21 0.42 0.95 0.00 0.00 175.26 177.04 1lab s ILE 47 N -1.52 1.91 0.52 1.83 1.09 -1.19 -4.98 121.20 118.86 1lab s ILE 47 Ca 0.20 -0.90 -0.02 0.00 -1.10 0.00 0.00 60.65 58.84 1lab s ILE 47 Cb -0.09 -1.69 0.11 0.00 -1.06 0.00 0.00 42.46 39.73 1lab s ILE 47 CO 0.10 0.52 0.72 -0.81 -0.10 0.00 0.00 174.94 175.37 1lab n PRO 48 N 3.98 -0.02 -3.14 2.79 -0.04 -1.26 -3.46 135.00 133.86 1lab n PRO 48 Ca -0.20 -1.81 -0.42 0.00 -0.04 0.00 0.00 63.50 61.03 1lab n PRO 48 Cb 0.52 -0.52 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1lab n PRO 48 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1lab s SER 49 N -3.87 6.36 0.24 3.54 0.01 -0.50 -4.86 113.70 114.62 1lab s SER 49 Ca 0.46 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.64 1lab s SER 49 Cb -0.02 -2.31 0.28 0.00 0.21 0.00 0.00 66.02 64.18 1lab s SER 49 CO 0.31 -0.65 1.61 -0.65 0.41 0.00 0.00 173.24 174.28 1lab h PRO 50 N 8.63 0.44 -4.75 12.44 0.11 -1.91 -3.34 132.00 143.62 1lab h PRO 50 Ca -0.26 -0.23 -0.30 0.00 0.11 0.00 0.00 66.00 65.32 1lab h PRO 50 Cb 1.11 0.01 -0.15 0.00 0.11 0.00 0.00 31.00 32.08 1lab h PRO 50 CO 0.85 0.79 -0.63 0.54 -0.21 0.00 0.00 178.00 179.34 1lab s VAL 51 N -4.15 0.38 0.28 3.15 0.11 -1.26 -4.93 120.40 113.98 1lab s VAL 51 Ca -0.06 -1.99 0.06 0.00 -2.93 0.00 0.00 61.98 57.06 1lab s VAL 51 Cb 0.13 -2.47 -0.03 0.00 -1.53 0.00 0.00 36.38 32.47 1lab s VAL 51 CO 0.81 -0.11 0.33 -1.59 -3.33 0.00 0.00 175.10 171.21 1lab s LYS 52 N -4.05 3.09 0.00 1.54 0.00 -1.17 -4.40 119.74 114.74 1lab s LYS 52 Ca 0.35 -1.00 0.00 0.00 0.00 0.00 0.00 55.97 55.32 1lab s LYS 52 Cb 0.07 -2.70 0.00 0.00 0.00 0.00 0.00 37.83 35.20 1lab s LYS 52 CO 0.11 0.27 0.00 0.41 0.00 0.00 0.00 175.35 176.14 1lab n GLY 53 N -1.39 -0.58 3.74 0.59 0.00 -0.95 -4.64 105.19 101.97 1lab n GLY 53 Ca -0.05 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.69 2.15 -0.46 1.61 2.47 -1.25 -0.27 119.74 122.30 1lab s LYS 54 Ca 0.00 -2.21 0.09 0.00 -1.56 0.00 0.00 55.97 52.28 1lab s LYS 54 Cb 0.00 -1.69 0.37 0.00 -1.46 0.00 0.00 37.83 35.05 1lab s LYS 54 CO 0.00 -0.28 0.91 0.28 0.16 0.00 0.00 175.35 176.41 1lab n VAL 55 N -1.25 1.72 0.00 4.02 0.31 -1.11 -3.88 118.33 118.15 1lab n VAL 55 Ca -0.11 -4.87 0.00 0.00 -0.01 0.00 0.00 64.34 59.34 1lab n VAL 55 Cb 0.66 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 -0.10 0.00 -4.21 7.52 4.77 -1.25 0.87 117.00 124.60 1lab n LEU 56 Ca 0.28 0.23 -0.17 0.00 -0.03 0.00 0.00 56.01 56.31 1lab n LEU 56 Cb 0.57 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1lab n LEU 56 CO 0.29 -0.06 -0.44 -1.61 -1.33 0.00 0.00 177.39 174.24 1lab s GLU 57 N -1.65 0.92 -0.11 3.23 2.02 -1.26 -3.43 118.70 118.43 1lab s GLU 57 Ca 0.00 -1.14 -0.01 0.00 0.02 0.00 0.00 54.97 53.84 1lab s GLU 57 Cb 0.00 -0.80 0.03 0.00 0.10 0.00 0.00 34.13 33.46 1lab s GLU 57 CO 0.00 0.15 -0.05 0.42 0.02 0.00 0.00 175.26 175.80 1lab s ILE 58 N -1.97 0.84 -0.17 -1.63 1.01 -1.26 -3.26 121.20 114.76 1lab s ILE 58 Ca 0.05 -0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 1lab s ILE 58 Cb -0.06 -0.91 -0.22 0.00 0.01 0.00 0.00 42.46 41.28 1lab s ILE 58 CO 0.02 0.32 0.24 0.18 0.00 0.00 0.00 174.94 175.70 1lab n LEU 59 N 5.00 2.28 -4.33 2.97 4.32 0.20 -4.83 117.00 122.61 1lab n LEU 59 Ca -0.11 0.30 -0.31 0.00 -0.02 0.00 0.00 56.01 55.87 1lab n LEU 59 Cb 0.50 -1.03 -0.16 0.00 -1.62 0.00 0.00 43.42 41.11 1lab n LEU 59 CO 0.15 0.59 -0.56 -0.69 -1.22 0.00 0.00 177.39 175.66 1lab s VAL 60 N -2.47 2.16 0.00 4.08 1.01 -1.26 -5.10 120.40 118.83 1lab s VAL 60 Ca -0.26 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.60 1lab s VAL 60 Cb 0.07 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1lab s VAL 60 CO 0.67 0.55 0.00 -0.81 0.00 0.00 0.00 175.10 175.51 1lab n PRO 61 N 2.33 0.00 -1.74 2.72 -0.04 -1.26 -4.82 135.00 132.18 1lab n PRO 61 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1lab n PRO 61 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1lab n PRO 61 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1lab n GLU 62 N 0.00 1.22 0.00 0.54 -0.00 -1.26 -4.86 120.64 116.28 1lab n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1lab n GLU 62 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1lab n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lab n GLY 63 N 2.70 1.27 4.01 -1.84 0.00 -1.01 -4.88 105.19 105.45 1lab n GLY 63 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.71 0.10 2.61 2.01 -1.26 -5.01 115.64 116.79 1lab s THR 64 Ca 0.00 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.10 1lab s THR 64 Cb 0.00 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1lab s THR 64 CO 0.00 0.00 0.02 -0.69 -0.69 0.00 0.00 174.62 173.26 1lab s VAL 65 N -2.52 4.13 0.34 3.82 1.01 -1.26 -4.07 120.40 121.86 1lab s VAL 65 Ca 0.58 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1lab s VAL 65 Cb -0.09 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1lab s VAL 65 CO 0.36 0.09 -0.00 0.00 0.00 0.00 0.00 175.10 175.54 1lab s ALA 66 N -1.38 2.68 0.00 5.51 0.00 0.48 -4.99 121.76 124.06 1lab s ALA 66 Ca 0.27 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1lab s ALA 66 Cb -0.12 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1lab s ALA 66 CO 0.19 -0.14 0.00 -2.37 0.00 0.00 0.00 175.76 173.44 1lab n THR 67 N -0.76 0.00 -4.43 0.00 5.66 -1.26 0.74 114.28 114.23 1lab n THR 67 Ca -0.04 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.73 1lab n THR 67 Cb 0.66 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.33 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 1.36 2.24 0.00 1.08 1.01 -1.21 -4.49 120.40 120.39 1lab s VAL 68 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 59.68 1lab s VAL 68 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1lab s VAL 68 CO 0.00 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1lab n GLY 69 N -0.43 3.04 3.92 4.51 0.00 -1.26 -4.86 105.19 110.11 1lab n GLY 69 Ca -0.07 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.86 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 3.23 0.39 1.61 0.74 -1.26 -5.10 119.66 119.26 1lab s GLN 70 Ca 0.00 -0.06 0.04 0.00 0.05 0.00 0.00 55.36 55.39 1lab s GLN 70 Cb 0.00 -2.40 0.04 0.00 1.10 0.00 0.00 33.01 31.74 1lab s GLN 70 CO 0.00 -0.36 0.30 2.41 -0.55 0.00 0.00 175.29 177.09 1lab n THR 71 N -2.29 0.00 0.08 -0.34 -1.04 -1.26 -4.77 114.28 104.67 1lab n THR 71 Ca 0.02 -1.55 0.00 0.00 -2.04 0.00 0.00 64.05 60.47 1lab n THR 71 Cb 0.57 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 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 -0.76 -4.29 -4.42 7.94 -1.26 -4.88 117.00 109.33 1lab n LEU 72 Ca -0.01 0.30 -0.16 0.00 -1.11 0.00 0.00 56.01 55.03 1lab n LEU 72 Cb 0.45 0.87 -0.10 0.00 0.53 0.00 0.00 43.42 45.16 1lab n LEU 72 CO 0.26 -0.46 -0.31 -0.51 -1.11 0.00 0.00 177.39 175.27 1lab s ILE 73 N -1.45 0.79 0.05 1.96 2.07 -1.26 -0.63 121.20 122.74 1lab s ILE 73 Ca 0.00 -2.00 0.00 0.00 -1.41 0.00 0.00 60.65 57.24 1lab s ILE 73 Cb 0.00 -2.33 -0.03 0.00 0.13 0.00 0.00 42.46 40.23 1lab s ILE 73 CO 0.00 -0.31 -0.04 0.28 -1.91 0.00 0.00 174.94 172.96 1lab s THR 74 N -3.58 0.35 0.03 4.00 -1.32 -1.20 -3.84 115.64 110.08 1lab s THR 74 Ca 0.29 -1.56 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 1lab s THR 74 Cb 0.06 -1.19 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 1lab s THR 74 CO 0.08 -0.79 -0.07 -0.22 -2.21 0.00 0.00 174.62 171.41 1lab s LEU 75 N -2.48 2.20 -0.03 9.08 0.20 0.12 -3.94 118.68 123.81 1lab s LEU 75 Ca 0.01 -0.44 0.02 0.00 0.69 0.00 0.00 54.13 54.42 1lab s LEU 75 Cb 0.01 -0.18 -0.03 0.00 -0.43 0.00 0.00 46.19 45.56 1lab s LEU 75 CO -0.06 -0.14 -0.06 1.51 -0.29 0.00 0.00 176.35 177.31 1lab s ASP 76 N -1.22 4.66 -0.17 3.68 -4.77 -1.25 -0.09 116.67 117.51 1lab s ASP 76 Ca -0.07 -0.08 0.24 0.00 -3.30 0.00 0.00 52.55 49.34 1lab s ASP 76 Cb -0.08 -1.13 0.48 0.00 -1.09 0.00 0.00 42.92 41.10 1lab s ASP 76 CO 0.00 0.32 1.13 0.00 0.70 0.00 0.00 175.17 177.32 1lab n ALA 77 N 1.85 2.51 -0.52 2.11 0.00 -1.26 -3.85 120.51 121.35 1lab n ALA 77 Ca -0.16 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.67 1lab n ALA 77 Cb 0.53 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1lab n ALA 77 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1lab n PRO 78 N -0.23 0.00 0.00 0.00 -0.04 -1.26 -2.58 135.00 130.89 1lab n PRO 78 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1lab n PRO 78 Cb 0.92 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.52 1lab n PRO 78 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lab n GLY 79 N 2.32 0.00 0.00 0.55 0.00 -1.26 -5.21 105.19 101.59 1lab n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lab n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60