#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lab n PHE 2 N 0.00 0.00 -1.34 0.00 7.35 -1.25 -3.01 117.46 119.21 1lab n PHE 2 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1lab n PHE 2 Cb 0.00 0.00 0.02 0.00 0.35 0.00 0.00 39.48 39.85 1lab n PHE 2 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1lab n GLU 3 N 0.94 0.01 -0.12 -4.13 0.00 -1.26 -2.53 120.64 113.54 1lab n GLU 3 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 57.16 56.69 1lab n GLU 3 Cb 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 31.44 31.21 1lab n GLU 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1lab n PHE 4 N -2.05 0.62 -4.44 -1.84 7.35 -1.26 -4.94 117.46 110.90 1lab n PHE 4 Ca 0.02 0.27 -0.21 0.00 -0.76 0.00 0.00 57.45 56.76 1lab n PHE 4 Cb 0.06 -1.06 -0.10 0.00 0.35 0.00 0.00 39.48 38.72 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 -2.42 1.58 0.47 -4.13 -0.14 -1.26 -5.10 119.74 108.73 1lab s LYS 5 Ca -0.33 -1.82 0.06 0.00 -1.36 0.00 0.00 55.97 52.52 1lab s LYS 5 Cb 0.09 -1.10 0.06 0.00 -1.68 0.00 0.00 37.83 35.20 1lab s LYS 5 CO 0.55 -0.01 0.48 1.28 -0.76 0.00 0.00 175.35 176.89 1lab n LEU 6 N -0.61 0.00 -4.54 3.17 4.77 -1.26 -4.82 117.00 113.71 1lab n LEU 6 Ca -0.05 -2.24 -0.30 0.00 -0.03 0.00 0.00 56.01 53.39 1lab n LEU 6 Cb 0.64 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1lab n LEU 6 CO 0.40 -0.59 1.88 -2.65 -1.33 0.00 0.00 177.39 175.10 1lab n PRO 7 N -1.78 0.58 0.00 3.23 -0.02 -1.26 -4.61 135.00 131.15 1lab n PRO 7 Ca 0.05 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1lab n PRO 7 Cb 0.51 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 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 14.30 0.00 -3.77 2.55 -0.08 -1.26 -4.95 116.55 123.34 1lab n ASP 8 Ca 0.49 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.47 1lab n ASP 8 Cb 0.36 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.76 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 0.00 -0.15 0.00 5.18 -5.35 -1.26 -4.79 119.36 112.99 1lab n ILE 9 Ca 0.00 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1lab n ILE 9 Cb 0.00 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 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 -1.17 4.63 3.78 3.28 0.00 -1.25 -5.05 105.19 109.42 1lab n GLY 10 Ca 0.02 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 4.73 3.02 0.00 1.61 2.02 -1.26 -4.59 118.70 124.23 1lab s GLU 11 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1lab s GLU 11 Cb 0.00 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.40 1lab s GLU 11 CO 0.00 0.63 0.00 0.41 0.02 0.00 0.00 175.26 176.32 1lab n GLY 12 N 0.99 2.21 3.43 -1.39 0.00 -1.26 -4.94 105.19 104.23 1lab n GLY 12 Ca -0.12 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 0.73 0.00 -0.61 -1.09 -1.26 -5.04 121.20 113.92 1lab s ILE 13 Ca 0.00 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.42 1lab s ILE 13 Cb 0.00 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1lab s ILE 13 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 174.94 175.28 1lab n HIS 14 N -0.71 0.00 -3.41 3.97 -0.00 -1.26 -3.79 115.22 110.02 1lab n HIS 14 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1lab n HIS 14 Cb 0.66 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 1lab n HIS 14 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1lab n GLU 15 N -0.81 2.75 -3.71 1.57 0.00 -1.26 -2.10 120.64 117.08 1lab n GLU 15 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 1lab n GLU 15 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.32 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 -0.70 -0.19 -0.72 -1.84 0.00 0.19 -4.87 107.32 99.20 1lab s GLY 16 Ca 0.00 1.13 -0.10 0.00 0.00 0.00 0.00 44.72 45.75 1lab s GLY 16 CO 0.00 1.50 0.61 1.85 0.00 0.00 0.00 173.10 177.06 1lab s GLU 17 N 1.51 3.14 -0.46 2.90 2.12 -1.26 -0.55 118.70 126.10 1lab s GLU 17 Ca -0.08 -2.39 -0.28 0.00 0.36 0.00 0.00 54.97 52.58 1lab s GLU 17 Cb -0.10 -4.15 0.03 0.00 0.26 0.00 0.00 34.13 30.16 1lab s GLU 17 CO -0.10 -1.25 1.06 0.42 -0.54 0.00 0.00 175.26 174.85 1lab s ILE 18 N 0.25 4.33 -0.15 -3.70 1.01 -1.22 -3.18 121.20 118.54 1lab s ILE 18 Ca 0.16 1.10 -0.16 0.00 0.00 0.00 0.00 60.65 61.75 1lab s ILE 18 Cb -0.16 -4.53 -0.24 0.00 0.01 0.00 0.00 42.46 37.55 1lab s ILE 18 CO -0.06 -0.90 0.36 0.58 0.00 0.00 0.00 174.94 174.92 1lab h VAL 19 N 6.14 0.87 -3.31 2.92 2.07 -1.77 0.64 116.25 123.81 1lab h VAL 19 Ca -0.23 -2.29 -0.35 0.00 0.82 0.00 0.00 66.70 64.65 1lab h VAL 19 Cb 1.07 2.46 -0.14 0.00 -1.52 0.00 0.00 31.29 33.15 1lab h VAL 19 CO 1.08 0.60 -0.70 -0.75 0.02 0.00 0.00 177.57 177.82 1lab s LYS 20 N -2.45 1.16 0.35 1.57 2.20 -1.25 -3.09 119.74 118.23 1lab s LYS 20 Ca -0.24 -1.53 0.06 0.00 -0.36 0.00 0.00 55.97 53.90 1lab s LYS 20 Cb 0.06 -0.68 -0.07 0.00 -1.51 0.00 0.00 37.83 35.63 1lab s LYS 20 CO 0.69 0.04 0.01 -1.58 -0.36 0.00 0.00 175.35 174.16 1lab s TRP 21 N -3.31 2.19 0.00 4.03 0.52 -1.26 -2.47 118.94 118.63 1lab s TRP 21 Ca 0.20 -0.78 0.00 0.00 0.02 0.00 0.00 56.10 55.54 1lab s TRP 21 Cb 0.03 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.91 1lab s TRP 21 CO 0.03 0.25 0.00 1.19 0.02 0.00 0.00 176.95 178.44 1lab n PHE 22 N -0.78 0.00 -3.01 -1.98 3.01 -0.69 -4.96 117.46 109.05 1lab n PHE 22 Ca -0.04 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.22 1lab n PHE 22 Cb 0.66 0.06 0.06 0.00 -0.01 0.00 0.00 39.48 40.25 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 -1.96 2.18 0.45 -4.37 -7.23 -1.26 -5.04 120.40 103.17 1lab s VAL 23 Ca 0.00 -0.98 0.06 0.00 -1.81 0.00 0.00 61.98 59.25 1lab s VAL 23 Cb 0.00 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1lab s VAL 23 CO 0.00 0.00 0.16 -1.59 -0.31 0.00 0.00 175.10 173.36 1lab s LYS 24 N -4.68 2.19 0.06 4.82 -2.85 -1.26 -5.08 119.74 112.94 1lab s LYS 24 Ca 0.62 -2.00 -0.12 0.00 -1.00 0.00 0.00 55.97 53.47 1lab s LYS 24 Cb -0.06 -1.88 -0.06 0.00 -2.06 0.00 0.00 37.83 33.78 1lab s LYS 24 CO 0.39 -0.22 0.41 -1.25 0.10 0.00 0.00 175.35 174.78 1lab s PRO 25 N -3.93 3.81 0.00 1.78 0.04 -1.26 -4.40 135.00 131.05 1lab s PRO 25 Ca 0.33 0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1lab s PRO 25 Cb 0.03 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1lab s PRO 25 CO 0.18 0.60 0.00 0.41 0.04 0.00 0.00 177.00 178.23 1lab n GLY 26 N 1.20 0.65 2.32 0.56 0.00 0.37 -4.99 105.19 105.30 1lab n GLY 26 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 1.96 -4.56 1.61 -0.08 -1.24 -4.92 116.55 109.32 1lab n ASP 27 Ca 0.00 -2.12 -0.25 0.00 -1.51 0.00 0.00 54.79 50.91 1lab n ASP 27 Cb 0.00 -0.06 -0.10 0.00 2.34 0.00 0.00 41.12 43.31 1lab n ASP 27 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1lab s GLU 28 N -3.40 1.87 0.34 -0.67 -1.05 -1.26 -1.70 118.70 112.83 1lab s GLU 28 Ca 0.21 -1.85 0.03 0.00 -0.15 0.00 0.00 54.97 53.22 1lab s GLU 28 Cb -0.02 -1.78 -0.04 0.00 -0.44 0.00 0.00 34.13 31.85 1lab s GLU 28 CO 0.14 0.18 0.14 0.54 0.95 0.00 0.00 175.26 177.20 1lab s VAL 29 N -2.56 0.53 -0.04 1.83 0.11 -1.20 -4.93 120.40 114.13 1lab s VAL 29 Ca 0.33 -2.00 0.02 0.00 -2.93 0.00 0.00 61.98 57.39 1lab s VAL 29 Cb 0.00 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.31 1lab s VAL 29 CO 0.17 0.00 -0.02 -3.20 -3.33 0.00 0.00 175.10 168.72 1lab n ASN 30 N -1.02 3.80 -0.01 3.54 2.85 -1.26 -4.18 115.26 118.97 1lab n ASN 30 Ca -0.01 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1lab n ASN 30 Cb 0.65 0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.87 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1lab n GLU 31 N -2.44 0.00 0.00 1.20 2.13 -1.26 -4.07 120.64 116.21 1lab n GLU 31 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1lab n GLU 31 Cb 0.61 -0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 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 0.35 0.60 -0.49 4.31 5.75 -1.20 -2.44 116.55 123.44 1lab n ASP 32 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1lab n ASP 32 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 -2.82 -0.30 -4.85 -1.12 -0.08 -1.26 -0.53 116.55 105.59 1lab n ASP 33 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1lab n ASP 33 Cb 0.42 -0.06 -0.04 0.00 2.34 0.00 0.00 41.12 43.78 1lab n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1lab s VAL 34 N -0.25 3.03 0.00 5.18 1.01 -1.26 -1.43 120.40 126.67 1lab s VAL 34 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1lab s VAL 34 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1lab s VAL 34 CO 0.03 -0.09 0.00 0.18 0.00 0.00 0.00 175.10 175.22 1lab n LEU 35 N -1.42 0.00 -4.45 3.92 4.32 -1.26 -4.38 117.00 113.73 1lab n LEU 35 Ca 0.01 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.78 1lab n LEU 35 Cb 0.61 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.30 1lab n LEU 35 CO 0.43 0.00 -0.28 0.00 -1.22 0.00 0.00 177.39 176.32 1lab s GLU 37 N -3.88 0.78 0.34 0.00 -6.30 -1.03 -2.16 118.70 106.45 1lab s GLU 37 Ca 0.36 -1.18 0.07 0.00 -2.50 0.00 0.00 54.97 51.73 1lab s GLU 37 Cb 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 34.13 33.88 1lab s GLU 37 CO 0.15 0.02 0.28 0.08 0.02 0.00 0.00 175.26 175.81 1lab s VAL 38 N -2.88 0.03 -0.26 3.70 1.01 0.30 -2.40 120.40 119.88 1lab s VAL 38 Ca 0.06 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.01 1lab s VAL 38 Cb 0.00 -2.49 0.09 0.00 0.00 0.00 0.00 36.38 33.98 1lab s VAL 38 CO -0.02 0.00 0.11 -1.58 0.00 0.00 0.00 175.10 173.60 1lab s GLN 39 N -3.43 0.32 0.31 2.72 0.74 -1.19 -3.68 119.66 115.44 1lab s GLN 39 Ca 0.40 -0.55 -0.04 0.00 0.05 0.00 0.00 55.36 55.22 1lab s GLN 39 Cb 0.02 -1.54 -0.01 0.00 1.10 0.00 0.00 33.01 32.59 1lab s GLN 39 CO 0.28 -0.92 0.42 0.54 -0.55 0.00 0.00 175.29 175.06 1lab s ASN 40 N 1.98 0.66 0.00 6.67 4.22 -0.10 -4.84 114.94 123.54 1lab s ASN 40 Ca 0.07 -1.38 0.00 0.00 -2.14 0.00 0.00 52.86 49.41 1lab s ASN 40 Cb -0.16 0.61 0.00 0.00 1.28 0.00 0.00 41.25 42.98 1lab s ASN 40 CO -0.27 -1.20 0.00 -0.90 -2.04 0.00 0.00 177.10 172.69 1lab n ASP 41 N -1.08 0.00 0.00 3.54 5.68 -1.26 -2.63 116.55 120.80 1lab n ASP 41 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1lab n ASP 41 Cb 0.62 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1lab n ASP 41 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1lab n LYS 42 N -1.78 4.21 -4.23 0.11 5.02 -1.26 -5.06 118.16 115.17 1lab n LYS 42 Ca 0.00 -0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 55.99 1lab n LYS 42 Cb 0.00 -0.40 -0.08 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.61 3.19 0.00 7.82 0.00 -1.08 -5.07 121.76 126.01 1lab s ALA 43 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.52 1lab s ALA 43 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1lab s ALA 43 CO 0.00 0.42 0.00 0.28 0.00 0.00 0.00 175.76 176.46 1lab n VAL 44 N -0.32 0.00 -1.13 0.00 0.31 -1.26 -0.92 118.33 115.00 1lab n VAL 44 Ca -0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.94 1lab n VAL 44 Cb 0.56 -0.04 0.13 0.00 -0.91 0.00 0.00 33.84 33.58 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 0.00 2.80 -0.06 2.52 1.01 -1.24 0.11 120.40 125.54 1lab s VAL 45 Ca 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1lab s VAL 45 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1lab s VAL 45 CO 0.00 -0.34 -0.19 -0.62 0.00 0.00 0.00 175.10 173.95 1lab n GLU 46 N -3.85 0.29 -3.67 2.72 1.02 -0.92 -4.55 120.64 111.68 1lab n GLU 46 Ca 0.08 0.11 -0.36 0.00 -0.02 0.00 0.00 57.16 56.98 1lab n GLU 46 Cb 0.54 -1.00 -0.06 0.00 -0.02 0.00 0.00 31.44 30.91 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 -2.43 5.22 0.59 -3.67 1.09 -1.01 -5.01 121.20 115.97 1lab s ILE 47 Ca -0.16 0.38 0.07 0.00 -1.10 0.00 0.00 60.65 59.85 1lab s ILE 47 Cb 0.02 -3.60 0.09 0.00 -1.06 0.00 0.00 42.46 37.91 1lab s ILE 47 CO 0.24 0.42 0.81 -2.16 -0.10 0.00 0.00 174.94 174.15 1lab s PRO 48 N -1.57 2.24 0.34 2.79 0.04 -1.26 -4.66 135.00 132.91 1lab s PRO 48 Ca 0.27 -1.45 0.04 0.00 0.04 0.00 0.00 61.00 59.89 1lab s PRO 48 Cb -0.14 -2.59 -0.06 0.00 0.04 0.00 0.00 34.50 31.76 1lab s PRO 48 CO 0.14 -0.92 0.07 -1.12 0.04 0.00 0.00 177.00 175.22 1lab s SER 49 N -4.64 2.40 -0.02 6.66 0.01 0.31 -4.96 113.70 113.47 1lab s SER 49 Ca 0.62 -1.42 0.16 0.00 1.31 0.00 0.00 55.95 56.62 1lab s SER 49 Cb -0.06 0.01 -0.23 0.00 0.21 0.00 0.00 66.02 65.95 1lab s SER 49 CO 0.39 -0.66 0.44 -0.81 0.41 0.00 0.00 173.24 173.02 1lab n PRO 50 N -0.72 0.88 -4.30 12.44 -0.04 -1.23 -3.25 135.00 138.79 1lab n PRO 50 Ca -0.03 -0.10 -0.16 0.00 -0.04 0.00 0.00 63.50 63.17 1lab n PRO 50 Cb 0.66 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 1lab n PRO 50 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1lab s VAL 51 N -2.93 0.47 0.46 0.52 0.11 -1.02 -4.75 120.40 113.26 1lab s VAL 51 Ca -0.02 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.05 1lab s VAL 51 Cb 0.11 -2.61 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 1lab s VAL 51 CO 0.66 0.00 0.07 -1.59 -3.33 0.00 0.00 175.10 170.91 1lab s LYS 52 N -4.03 2.07 0.00 1.54 0.00 -1.26 -4.41 119.74 113.64 1lab s LYS 52 Ca 0.38 -2.29 0.00 0.00 0.00 0.00 0.00 55.97 54.05 1lab s LYS 52 Cb 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 37.83 36.84 1lab s LYS 52 CO 0.14 -0.42 0.00 0.41 0.00 0.00 0.00 175.35 175.47 1lab n GLY 53 N -1.09 -0.28 3.84 0.59 0.00 -1.26 -4.58 105.19 102.41 1lab n GLY 53 Ca -0.12 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.99 2.24 -0.32 1.61 2.47 -1.24 -3.24 119.74 120.28 1lab s LYS 54 Ca 0.00 -2.06 0.02 0.00 -1.56 0.00 0.00 55.97 52.37 1lab s LYS 54 Cb 0.00 -1.95 0.10 0.00 -1.46 0.00 0.00 37.83 34.52 1lab s LYS 54 CO 0.00 -0.44 0.05 0.08 0.16 0.00 0.00 175.35 175.20 1lab s VAL 55 N -2.75 1.83 0.00 4.02 1.01 -0.69 -3.85 120.40 119.97 1lab s VAL 55 Ca 0.29 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.28 1lab s VAL 55 Cb -0.00 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1lab s VAL 55 CO 0.17 -0.58 0.09 0.18 0.00 0.00 0.00 175.10 174.97 1lab n LEU 56 N 4.45 1.52 -4.33 3.92 4.77 -1.25 -0.48 117.00 125.59 1lab n LEU 56 Ca 0.01 0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 1lab n LEU 56 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1lab n LEU 56 CO 0.19 0.00 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.22 1lab s GLU 57 N -0.19 1.28 -0.11 3.23 2.02 -1.26 -2.50 118.70 121.18 1lab s GLU 57 Ca 0.00 -1.58 -0.01 0.00 0.02 0.00 0.00 54.97 53.40 1lab s GLU 57 Cb 0.00 -0.95 0.03 0.00 0.10 0.00 0.00 34.13 33.31 1lab s GLU 57 CO 0.00 0.12 -0.03 0.42 0.02 0.00 0.00 175.26 175.79 1lab s ILE 58 N -3.11 0.68 -0.16 -1.63 1.01 -1.26 -3.05 121.20 113.68 1lab s ILE 58 Ca 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 1lab s ILE 58 Cb 0.01 -0.84 -0.23 0.00 0.01 0.00 0.00 42.46 41.41 1lab s ILE 58 CO 0.06 0.23 0.20 0.18 0.00 0.00 0.00 174.94 175.61 1lab n LEU 59 N 5.04 2.63 -4.38 2.97 4.32 0.32 -4.81 117.00 123.09 1lab n LEU 59 Ca -0.10 0.16 -0.34 0.00 -0.02 0.00 0.00 56.01 55.71 1lab n LEU 59 Cb 0.49 -1.05 -0.13 0.00 -1.62 0.00 0.00 43.42 41.11 1lab n LEU 59 CO 0.13 0.82 -0.38 -0.69 -1.22 0.00 0.00 177.39 176.05 1lab s VAL 60 N -2.53 3.49 0.00 4.08 1.01 -1.26 -5.10 120.40 120.09 1lab s VAL 60 Ca -0.26 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1lab s VAL 60 Cb 0.07 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1lab s VAL 60 CO 0.71 0.46 0.00 -2.65 0.00 0.00 0.00 175.10 173.62 1lab n PRO 61 N 4.22 0.00 -2.09 2.72 -0.02 -1.26 -4.92 135.00 133.65 1lab n PRO 61 Ca -0.18 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.29 1lab n PRO 61 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1lab n PRO 61 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1lab n GLU 62 N 0.00 1.23 0.00 -0.52 -0.00 -1.26 -4.80 120.64 115.29 1lab n GLU 62 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.16 57.03 1lab n GLU 62 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 31.44 31.50 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 2.98 0.76 3.97 -1.84 0.00 0.22 -4.87 105.19 106.42 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 -0.26 2.90 0.06 2.61 2.01 -1.25 -4.95 115.64 116.76 1lab s THR 64 Ca 0.00 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 60.93 1lab s THR 64 Cb 0.00 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1lab s THR 64 CO 0.00 0.00 0.07 -0.69 -0.69 0.00 0.00 174.62 173.31 1lab s VAL 65 N -2.39 4.49 0.23 3.82 1.01 -1.26 -3.37 120.40 122.93 1lab s VAL 65 Ca 0.53 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.91 1lab s VAL 65 Cb -0.08 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1lab s VAL 65 CO 0.32 0.18 -0.21 0.00 0.00 0.00 0.00 175.10 175.39 1lab s ALA 66 N -1.32 2.66 0.00 5.51 0.00 0.29 -4.94 121.76 123.95 1lab s ALA 66 Ca 0.27 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1lab s ALA 66 Cb -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1lab s ALA 66 CO 0.19 0.37 0.00 0.25 0.00 0.00 0.00 175.76 176.57 1lab n THR 67 N -0.13 0.00 -4.28 0.00 -2.24 -1.26 0.57 114.28 106.94 1lab n THR 67 Ca -0.09 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.48 1lab n THR 67 Cb 0.58 -0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 67.74 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 1.86 1.60 0.00 2.28 1.01 -0.89 -4.54 120.40 121.72 1lab s VAL 68 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1lab s VAL 68 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1lab s VAL 68 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1lab n GLY 69 N 0.66 2.66 3.95 4.51 0.00 -1.26 -4.79 105.19 110.91 1lab n GLY 69 Ca -0.16 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 3.13 0.51 1.61 0.74 -1.26 -5.10 119.66 119.30 1lab s GLN 70 Ca 0.00 -0.43 0.05 0.00 0.05 0.00 0.00 55.36 55.03 1lab s GLN 70 Cb 0.00 -2.55 0.05 0.00 1.10 0.00 0.00 33.01 31.61 1lab s GLN 70 CO 0.00 -0.23 0.42 2.41 -0.55 0.00 0.00 175.29 177.34 1lab n THR 71 N -2.07 0.00 0.09 -0.34 -1.04 -1.26 -4.71 114.28 104.95 1lab n THR 71 Ca 0.01 -2.00 0.00 0.00 -2.04 0.00 0.00 64.05 60.01 1lab n THR 71 Cb 0.57 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 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 -0.93 -4.32 -4.42 -0.00 -1.26 -4.90 117.00 101.16 1lab n LEU 72 Ca -0.00 0.31 -0.17 0.00 -0.00 0.00 0.00 56.01 56.15 1lab n LEU 72 Cb 0.58 1.05 -0.10 0.00 -0.00 0.00 0.00 43.42 44.95 1lab n LEU 72 CO 0.34 -0.40 -0.36 -0.51 -0.00 0.00 0.00 177.39 176.46 1lab s ILE 73 N -1.44 1.20 0.05 1.96 2.07 -1.26 -0.52 121.20 123.26 1lab s ILE 73 Ca 0.00 -2.07 -0.01 0.00 -1.41 0.00 0.00 60.65 57.16 1lab s ILE 73 Cb 0.00 -2.20 -0.03 0.00 0.13 0.00 0.00 42.46 40.35 1lab s ILE 73 CO 0.00 -0.45 -0.02 0.28 -1.91 0.00 0.00 174.94 172.84 1lab s THR 74 N -3.31 0.20 0.06 4.00 -1.32 -1.17 -4.10 115.64 110.00 1lab s THR 74 Ca 0.25 -1.62 0.04 0.00 -1.21 0.00 0.00 61.69 59.15 1lab s THR 74 Cb 0.04 -1.30 -0.03 0.00 -1.51 0.00 0.00 72.50 69.70 1lab s THR 74 CO 0.07 -0.90 -0.12 -0.22 -2.21 0.00 0.00 174.62 171.24 1lab s LEU 75 N -2.67 2.26 -0.18 9.08 0.20 -1.05 -3.88 118.68 122.43 1lab s LEU 75 Ca 0.03 -0.58 -0.01 0.00 0.69 0.00 0.00 54.13 54.26 1lab s LEU 75 Cb 0.05 -0.41 -0.00 0.00 -0.43 0.00 0.00 46.19 45.40 1lab s LEU 75 CO -0.09 -0.11 -0.12 1.51 -0.29 0.00 0.00 176.35 177.26 1lab s ASP 76 N -1.62 3.82 -0.37 3.68 1.47 -1.25 0.12 116.67 122.53 1lab s ASP 76 Ca -0.04 -0.46 0.13 0.00 1.18 0.00 0.00 52.55 53.36 1lab s ASP 76 Cb -0.10 -1.61 0.36 0.00 -0.34 0.00 0.00 42.92 41.23 1lab s ASP 76 CO 0.02 0.04 0.76 0.00 0.68 0.00 0.00 175.17 176.67 1lab n ALA 77 N 4.34 2.21 -1.52 2.11 0.00 -1.26 -3.61 120.51 122.78 1lab n ALA 77 Ca -0.19 -3.38 -0.41 0.00 0.00 0.00 0.00 53.44 49.46 1lab n ALA 77 Cb 0.51 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.02 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 2.75 0.00 0.00 -0.04 -1.26 -3.72 135.00 132.96 1lab n PRO 78 Ca 0.23 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1lab n PRO 78 Cb 0.68 -3.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 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 4.06 -0.22 0.00 0.55 0.00 -1.26 -5.23 105.19 103.09 1lab n GLY 79 Ca 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1lab n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60