#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 3.40 0.96 0.00 5.36 0.14 -4.94 117.98 122.90 1lab s PHE 2 Ca 0.00 -2.94 -0.16 0.00 -0.96 0.00 0.00 56.93 52.87 1lab s PHE 2 Cb 0.00 -2.99 0.24 0.00 -0.34 0.00 0.00 43.02 39.93 1lab s PHE 2 CO 0.00 -0.83 0.81 0.39 -1.46 0.00 0.00 175.22 174.12 1lab n GLU 3 N 3.59 -2.86 -0.05 10.12 4.71 -1.26 -1.86 120.64 133.03 1lab n GLU 3 Ca 0.05 -1.30 -0.05 0.00 -0.01 0.00 0.00 57.16 55.85 1lab n GLU 3 Cb 0.37 -1.27 -0.08 0.00 -1.01 0.00 0.00 31.44 29.45 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 -4.42 0.00 -4.43 -0.32 7.35 -1.25 -4.87 117.46 109.52 1lab n PHE 4 Ca 0.11 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.60 1lab n PHE 4 Cb 0.45 -0.48 -0.10 0.00 0.35 0.00 0.00 39.48 39.69 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 -2.24 1.56 0.21 -4.13 -0.14 -1.26 -5.06 119.74 108.68 1lab s LYS 5 Ca -0.05 -1.82 0.02 0.00 -1.36 0.00 0.00 55.97 52.76 1lab s LYS 5 Cb 0.03 -1.00 0.02 0.00 -1.68 0.00 0.00 37.83 35.20 1lab s LYS 5 CO 0.40 -0.05 0.17 1.28 -0.76 0.00 0.00 175.35 176.39 1lab n LEU 6 N -0.60 0.00 -4.48 3.17 4.77 -1.26 -4.96 117.00 113.64 1lab n LEU 6 Ca -0.04 -1.06 -0.13 0.00 -0.03 0.00 0.00 56.01 54.74 1lab n LEU 6 Cb 0.64 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 1lab n LEU 6 CO 0.40 -0.40 1.27 -2.65 -1.33 0.00 0.00 177.39 174.68 1lab n PRO 7 N -1.04 0.24 0.00 3.23 -0.02 -1.26 -4.30 135.00 131.86 1lab n PRO 7 Ca -0.00 -0.90 0.00 0.00 -2.02 0.00 0.00 63.50 60.58 1lab n PRO 7 Cb 0.23 -3.02 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 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 15.33 0.00 -2.88 2.55 -0.08 -1.26 -4.94 116.55 125.27 1lab n ASP 8 Ca 0.42 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.51 1lab n ASP 8 Cb 0.41 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.83 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 -1.79 0.00 0.00 5.18 -5.35 -1.26 -1.22 119.36 114.92 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 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 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 -0.72 4.01 3.58 3.28 0.00 0.37 -4.92 105.19 110.78 1lab n GLY 10 Ca 0.05 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 1.39 0.00 1.61 8.01 -0.36 -3.32 118.70 126.04 1lab s GLU 11 Ca 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 54.97 54.48 1lab s GLU 11 Cb 0.00 -5.01 0.00 0.00 -4.31 0.00 0.00 34.13 24.81 1lab s GLU 11 CO 0.00 -5.23 0.00 0.41 0.01 0.00 0.00 175.26 170.45 1lab n GLY 12 N 6.13 2.26 1.07 -1.39 0.00 -1.26 -4.93 105.19 107.07 1lab n GLY 12 Ca 0.42 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1lab n GLY 12 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1lab n ILE 13 N 0.00 0.00 0.02 -0.61 2.08 -1.21 -5.10 119.36 114.54 1lab n ILE 13 Ca 0.00 -0.74 0.00 0.00 0.56 0.00 0.00 62.75 62.57 1lab n ILE 13 Cb 0.00 0.23 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 1lab n ILE 13 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1lab n HIS 14 N -0.32 -0.76 -3.04 1.39 1.44 -1.26 -0.48 115.22 112.19 1lab n HIS 14 Ca -0.03 0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 1lab n HIS 14 Cb 0.19 0.58 0.00 0.00 0.12 0.00 0.00 29.99 30.88 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 -2.60 1.40 -3.49 -1.40 0.28 -1.26 -2.48 120.64 111.09 1lab n GLU 15 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.85 1lab n GLU 15 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 1lab n GLU 15 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1lab s GLY 16 N -1.72 -0.13 -0.78 -1.84 0.00 0.20 -4.89 107.32 98.17 1lab s GLY 16 Ca 0.00 0.57 -0.15 0.00 0.00 0.00 0.00 44.72 45.14 1lab s GLY 16 CO 0.00 2.24 0.75 1.85 0.00 0.00 0.00 173.10 177.95 1lab s GLU 17 N 2.40 3.49 -0.59 2.90 2.12 -1.26 -1.18 118.70 126.57 1lab s GLU 17 Ca 0.07 -2.24 -0.25 0.00 0.36 0.00 0.00 54.97 52.91 1lab s GLU 17 Cb -0.15 -4.44 0.04 0.00 0.26 0.00 0.00 34.13 29.84 1lab s GLU 17 CO -0.12 -1.35 1.02 0.42 -0.54 0.00 0.00 175.26 174.69 1lab s ILE 18 N 0.69 4.25 -0.16 -3.70 1.01 -1.26 -2.72 121.20 119.31 1lab s ILE 18 Ca 0.16 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 1lab s ILE 18 Cb -0.13 -4.63 -0.23 0.00 0.01 0.00 0.00 42.46 37.47 1lab s ILE 18 CO -0.06 -1.29 0.43 0.58 0.00 0.00 0.00 174.94 174.60 1lab h VAL 19 N 6.03 1.10 -4.08 2.92 2.07 -1.81 -2.81 116.25 119.66 1lab h VAL 19 Ca -0.27 -2.29 -0.54 0.00 0.82 0.00 0.00 66.70 64.43 1lab h VAL 19 Cb 1.07 2.61 -0.25 0.00 -1.52 0.00 0.00 31.29 33.20 1lab h VAL 19 CO 1.14 0.52 -0.82 -0.75 0.02 0.00 0.00 177.57 177.68 1lab s LYS 20 N -2.38 1.21 0.48 1.57 2.20 -1.17 -4.42 119.74 117.22 1lab s LYS 20 Ca -0.24 -0.94 0.02 0.00 -0.36 0.00 0.00 55.97 54.45 1lab s LYS 20 Cb 0.04 -1.32 -0.03 0.00 -1.51 0.00 0.00 37.83 35.01 1lab s LYS 20 CO 0.67 0.33 0.02 -1.58 -0.36 0.00 0.00 175.35 174.43 1lab s TRP 21 N -0.90 1.96 0.00 4.03 0.52 -1.26 -0.71 118.94 122.58 1lab s TRP 21 Ca 0.05 -0.95 0.00 0.00 0.02 0.00 0.00 56.10 55.22 1lab s TRP 21 Cb -0.09 -1.57 0.00 0.00 -1.15 0.00 0.00 33.47 30.66 1lab s TRP 21 CO 0.02 0.19 0.00 1.19 0.02 0.00 0.00 176.95 178.37 1lab n PHE 22 N -1.15 0.00 -3.35 -1.98 3.01 -1.25 -4.92 117.46 107.82 1lab n PHE 22 Ca -0.15 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.10 1lab n PHE 22 Cb 0.67 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.16 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 -1.81 2.16 -0.38 -4.37 -7.23 -1.26 -5.02 120.40 102.49 1lab s VAL 23 Ca 0.00 -1.19 0.11 0.00 -1.81 0.00 0.00 61.98 59.10 1lab s VAL 23 Cb 0.00 -2.35 0.34 0.00 0.56 0.00 0.00 36.38 34.93 1lab s VAL 23 CO 0.00 0.00 0.72 2.29 -0.31 0.00 0.00 175.10 177.80 1lab n LYS 24 N -1.97 0.94 -0.05 4.82 -0.00 -1.26 -4.74 118.16 115.89 1lab n LYS 24 Ca 0.08 -3.29 0.00 0.00 -0.00 0.00 0.00 58.31 55.10 1lab n LYS 24 Cb 0.62 -1.62 0.00 0.00 -0.00 0.00 0.00 35.03 34.03 1lab n LYS 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1lab n PRO 25 N 0.43 0.15 -0.73 -1.58 -0.01 -1.26 -4.86 135.00 127.15 1lab n PRO 25 Ca 0.24 0.00 -0.12 0.00 -0.01 0.00 0.00 63.50 63.61 1lab n PRO 25 Cb 0.65 -0.07 0.13 0.00 -0.01 0.00 0.00 33.50 34.19 1lab n PRO 25 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1lab n GLY 26 N 0.22 3.39 0.00 -1.23 0.00 -1.26 -4.89 105.19 101.41 1lab n GLY 26 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.39 0.00 -4.59 1.61 2.03 -1.26 -2.52 116.55 111.42 1lab n ASP 27 Ca 0.34 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.27 1lab n ASP 27 Cb 1.17 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.47 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 3.95 0.38 -0.67 0.41 -1.26 0.34 118.70 121.84 1lab s GLU 28 Ca 0.00 -0.21 0.08 0.00 -0.41 0.00 0.00 54.97 54.43 1lab s GLU 28 Cb 0.00 -3.67 -0.07 0.00 -1.78 0.00 0.00 34.13 28.61 1lab s GLU 28 CO 0.00 -0.23 -0.03 0.54 -0.49 0.00 0.00 175.26 175.05 1lab s VAL 29 N 1.87 2.07 0.00 2.63 0.11 -0.25 -4.98 120.40 121.85 1lab s VAL 29 Ca 0.10 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.07 1lab s VAL 29 Cb -0.16 -2.86 0.00 0.00 -1.53 0.00 0.00 36.38 31.83 1lab s VAL 29 CO 0.11 -0.08 0.00 0.59 -3.33 0.00 0.00 175.10 172.39 1lab n ASN 30 N -0.89 0.00 -2.59 3.54 3.02 -1.26 -2.88 115.26 114.19 1lab n ASN 30 Ca -0.05 -0.81 -0.27 0.00 -0.03 0.00 0.00 54.58 53.42 1lab n ASN 30 Cb 0.66 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.82 1lab n ASN 30 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1lab n GLU 31 N -0.81 3.32 -1.60 3.52 2.13 -1.26 -3.14 120.64 122.79 1lab n GLU 31 Ca 0.00 -4.55 -0.02 0.00 0.66 0.00 0.00 57.16 53.25 1lab n GLU 31 Cb 0.00 -2.22 0.03 0.00 0.27 0.00 0.00 31.44 29.52 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 -0.41 -0.57 -4.41 4.31 5.68 -1.26 -4.89 116.55 114.99 1lab n ASP 32 Ca 0.36 -1.32 -0.24 0.00 -0.50 0.00 0.00 54.79 53.09 1lab n ASP 32 Cb 0.60 0.25 -0.02 0.00 -1.14 0.00 0.00 41.12 40.81 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 -0.46 2.74 -2.11 -1.12 2.03 -1.26 -5.04 116.55 111.32 1lab n ASP 33 Ca -0.09 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1lab n ASP 33 Cb 0.60 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 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 -1.45 0.00 -1.83 5.18 0.24 -1.26 -3.01 118.33 116.19 1lab n VAL 34 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1lab n VAL 34 Cb 0.55 -1.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.16 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 -4.33 1.34 -0.00 -1.25 -2.70 117.00 110.06 1lab n LEU 35 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 1lab n LEU 35 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1lab n LEU 35 CO 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 177.39 176.95 1lab s GLU 37 N -3.54 2.36 0.07 0.00 2.02 0.11 -4.14 118.70 115.57 1lab s GLU 37 Ca 0.21 -1.34 0.06 0.00 0.02 0.00 0.00 54.97 53.91 1lab s GLU 37 Cb -0.01 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 1lab s GLU 37 CO 0.06 -0.68 -0.11 0.08 0.02 0.00 0.00 175.26 174.64 1lab s VAL 38 N 1.23 3.34 0.19 2.63 1.01 -1.14 -2.41 120.40 125.26 1lab s VAL 38 Ca -0.03 -1.13 0.09 0.00 0.00 0.00 0.00 61.98 60.91 1lab s VAL 38 Cb -0.20 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1lab s VAL 38 CO -0.02 0.22 -0.05 -1.58 0.00 0.00 0.00 175.10 173.68 1lab s GLN 39 N -1.87 2.21 0.00 2.72 0.74 -1.10 -0.67 119.66 121.68 1lab s GLN 39 Ca 0.19 -1.25 0.00 0.00 0.05 0.00 0.00 55.36 54.35 1lab s GLN 39 Cb -0.11 -2.22 0.00 0.00 1.10 0.00 0.00 33.01 31.78 1lab s GLN 39 CO 0.11 0.43 0.00 0.27 -0.55 0.00 0.00 175.29 175.54 1lab n ASN 40 N -0.18 0.00 0.00 6.67 6.94 -0.01 -4.45 115.26 124.23 1lab n ASN 40 Ca -0.10 -0.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.57 1lab n ASN 40 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 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 -2.65 0.00 0.00 0.53 5.75 -1.26 -3.40 116.55 115.53 1lab n ASP 41 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1lab n ASP 41 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 -1.78 3.70 -2.47 0.11 5.02 -1.26 -5.12 118.16 116.36 1lab n LYS 42 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1lab n LYS 42 Cb 0.00 -0.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.66 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 -0.09 0.75 -2.70 7.82 0.00 -1.22 -5.13 120.51 119.94 1lab n ALA 43 Ca 0.00 -1.39 -0.26 0.00 0.00 0.00 0.00 53.44 51.79 1lab n ALA 43 Cb 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.46 1.44 0.23 0.00 1.01 -1.26 -0.83 120.40 119.53 1lab s VAL 44 Ca 0.35 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1lab s VAL 44 Cb -0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1lab s VAL 44 CO 0.22 0.41 0.00 -0.69 0.00 0.00 0.00 175.10 175.04 1lab s VAL 45 N -0.19 3.57 -0.00 2.92 1.01 0.15 -4.96 120.40 122.90 1lab s VAL 45 Ca 0.01 -1.71 0.08 0.00 0.00 0.00 0.00 61.98 60.37 1lab s VAL 45 Cb -0.09 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1lab s VAL 45 CO 0.01 -0.27 -0.26 -1.83 0.00 0.00 0.00 175.10 172.75 1lab s GLU 46 N -3.38 2.03 -0.59 2.72 -1.05 -1.26 -2.88 118.70 114.30 1lab s GLU 46 Ca 0.30 -0.97 0.06 0.00 -0.15 0.00 0.00 54.97 54.20 1lab s GLU 46 Cb -0.08 -2.03 0.21 0.00 -0.44 0.00 0.00 34.13 31.79 1lab s GLU 46 CO 0.19 0.55 0.56 -0.89 0.95 0.00 0.00 175.26 176.62 1lab n ILE 47 N 2.24 1.12 -0.18 1.83 -0.00 -1.26 -5.03 119.36 118.09 1lab n ILE 47 Ca -0.16 -4.65 -0.07 0.00 -0.00 0.00 0.00 62.75 57.86 1lab n ILE 47 Cb 0.51 -2.04 0.07 0.00 -0.00 0.00 0.00 39.64 38.18 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 1.63 -2.47 -3.48 0.38 -0.04 -1.26 -3.85 135.00 125.90 1lab n PRO 48 Ca 0.25 -0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 1lab n PRO 48 Cb 0.42 -0.45 -0.04 0.00 -0.04 0.00 0.00 33.50 33.38 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 -2.26 6.41 0.50 3.54 1.04 -1.10 -4.72 113.70 117.12 1lab s SER 49 Ca 0.17 -3.21 0.35 0.00 0.48 0.00 0.00 55.95 53.73 1lab s SER 49 Cb -0.03 -2.07 1.48 0.00 0.10 0.00 0.00 66.02 65.51 1lab s SER 49 CO 0.14 -0.36 1.74 1.55 0.98 0.00 0.00 173.24 177.29 1lab h PRO 50 N 6.91 0.08 -5.08 4.02 0.13 -1.92 -3.37 132.00 132.77 1lab h PRO 50 Ca 0.11 -0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.84 1lab h PRO 50 Cb 0.92 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.89 1lab h PRO 50 CO 0.83 0.05 -0.64 0.54 -0.23 0.00 0.00 178.00 178.56 1lab s VAL 51 N -5.08 0.97 0.33 1.56 0.11 -1.26 -4.88 120.40 112.15 1lab s VAL 51 Ca -0.06 -2.02 0.07 0.00 -2.93 0.00 0.00 61.98 57.04 1lab s VAL 51 Cb 0.25 -2.52 -0.02 0.00 -1.53 0.00 0.00 36.38 32.56 1lab s VAL 51 CO 0.82 -0.18 0.39 -1.59 -3.33 0.00 0.00 175.10 171.22 1lab s LYS 52 N -3.91 2.95 0.00 1.54 0.00 -1.19 -4.47 119.74 114.66 1lab s LYS 52 Ca 0.32 -1.14 0.00 0.00 0.00 0.00 0.00 55.97 55.16 1lab s LYS 52 Cb 0.07 -2.67 0.00 0.00 0.00 0.00 0.00 37.83 35.23 1lab s LYS 52 CO 0.11 0.08 0.00 0.41 0.00 0.00 0.00 175.35 175.95 1lab n GLY 53 N -1.52 0.08 3.77 0.59 0.00 -1.14 -4.39 105.19 102.58 1lab n GLY 53 Ca -0.01 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.97 2.32 -0.50 1.61 2.47 -1.23 -1.09 119.74 121.35 1lab s LYS 54 Ca 0.00 -1.72 0.08 0.00 -1.56 0.00 0.00 55.97 52.77 1lab s LYS 54 Cb 0.00 -2.11 0.33 0.00 -1.46 0.00 0.00 37.83 34.59 1lab s LYS 54 CO 0.00 -0.09 0.83 0.28 0.16 0.00 0.00 175.35 176.53 1lab n VAL 55 N -1.29 1.63 0.00 4.02 0.31 0.15 -2.74 118.33 120.41 1lab n VAL 55 Ca -0.00 -5.10 0.00 0.00 -0.01 0.00 0.00 64.34 59.23 1lab n VAL 55 Cb 0.63 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 0.14 0.00 -4.16 7.52 4.77 -1.23 -4.22 117.00 119.83 1lab n LEU 56 Ca 0.28 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.61 1lab n LEU 56 Cb 0.50 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1lab n LEU 56 CO 0.29 -0.17 -0.32 -1.83 -1.33 0.00 0.00 177.39 174.03 1lab s GLU 57 N -2.18 0.89 -0.01 3.23 -1.05 -1.26 -4.98 118.70 113.34 1lab s GLU 57 Ca 0.00 -1.41 0.01 0.00 -0.15 0.00 0.00 54.97 53.43 1lab s GLU 57 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1lab s GLU 57 CO 0.00 -0.19 -0.04 0.42 0.95 0.00 0.00 175.26 176.40 1lab s ILE 58 N -3.92 0.36 -0.10 1.83 1.01 -1.26 -2.13 121.20 116.99 1lab s ILE 58 Ca 0.20 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1lab s ILE 58 Cb 0.07 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1lab s ILE 58 CO -0.01 0.13 -0.16 0.18 0.00 0.00 0.00 174.94 175.08 1lab n LEU 59 N 3.30 1.20 -3.71 2.97 4.77 0.13 -4.73 117.00 120.93 1lab n LEU 59 Ca -0.17 0.38 -0.31 0.00 -0.03 0.00 0.00 56.01 55.88 1lab n LEU 59 Cb 0.56 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 1lab n LEU 59 CO 0.25 -0.43 0.23 0.52 -1.33 0.00 0.00 177.39 176.63 1lab n VAL 60 N -3.77 2.71 0.00 4.08 0.31 -1.26 -5.00 118.33 115.40 1lab n VAL 60 Ca -0.06 -5.23 0.00 0.00 -0.01 0.00 0.00 64.34 59.04 1lab n VAL 60 Cb 0.24 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 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 1.37 0.00 -3.67 5.55 -0.04 -1.26 -4.83 135.00 132.12 1lab n PRO 61 Ca 0.26 0.47 -0.15 0.00 -0.04 0.00 0.00 63.50 64.04 1lab n PRO 61 Cb 0.38 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.29 0.37 0.00 0.54 -0.00 -1.26 -4.78 120.64 114.22 1lab n GLU 62 Ca 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 57.16 54.69 1lab n GLU 62 Cb 0.00 1.89 0.00 0.00 -0.00 0.00 0.00 31.44 33.33 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 -0.38 1.81 2.49 -1.84 0.00 -1.06 -4.90 105.19 101.30 1lab n GLY 63 Ca 0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.12 2.61 -1.04 -1.26 -5.03 114.28 105.44 1lab n THR 64 Ca 0.00 -1.30 -0.30 0.00 -2.04 0.00 0.00 64.05 60.41 1lab n THR 64 Cb 0.00 -0.51 -0.08 0.00 -1.82 0.00 0.00 70.33 67.92 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 -1.47 4.07 0.25 12.58 1.01 -1.26 -4.21 120.40 131.37 1lab s VAL 65 Ca 0.32 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.43 1lab s VAL 65 Cb -0.03 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1lab s VAL 65 CO 0.21 0.12 -0.15 0.00 0.00 0.00 0.00 175.10 175.27 1lab s ALA 66 N -1.33 2.35 0.00 5.51 0.00 -0.32 -4.97 121.76 123.00 1lab s ALA 66 Ca 0.26 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1lab s ALA 66 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1lab s ALA 66 CO 0.19 0.13 0.00 -2.37 0.00 0.00 0.00 175.76 173.70 1lab n THR 67 N -0.51 0.00 -4.42 0.00 5.66 -1.26 0.62 114.28 114.38 1lab n THR 67 Ca -0.06 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.67 1lab n THR 67 Cb 0.61 -0.24 -0.12 0.00 -1.55 0.00 0.00 70.33 69.03 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 1.01 2.32 0.00 1.08 1.01 -1.04 -4.48 120.40 120.30 1lab s VAL 68 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1lab s VAL 68 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1lab s VAL 68 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1lab n GLY 69 N 0.34 3.02 3.95 4.51 0.00 -1.26 -4.78 105.19 110.98 1lab n GLY 69 Ca -0.13 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 3.46 0.66 1.61 0.74 -1.26 -5.10 119.66 119.77 1lab s GLN 70 Ca 0.00 -0.56 0.05 0.00 0.05 0.00 0.00 55.36 54.91 1lab s GLN 70 Cb 0.00 -2.80 0.12 0.00 1.10 0.00 0.00 33.01 31.43 1lab s GLN 70 CO 0.00 0.32 0.90 0.99 -0.55 0.00 0.00 175.29 176.95 1lab s THR 71 N -2.10 2.06 0.08 -0.34 2.01 -1.26 -4.80 115.64 111.29 1lab s THR 71 Ca 0.37 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1lab s THR 71 Cb -0.09 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1lab s THR 71 CO 0.32 0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 174.14 1lab n LEU 72 N -2.55 -0.03 -4.19 4.42 7.94 -1.26 -4.86 117.00 116.47 1lab n LEU 72 Ca 0.16 0.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.08 1lab n LEU 72 Cb 0.61 0.11 -0.10 0.00 0.53 0.00 0.00 43.42 44.57 1lab n LEU 72 CO 0.41 -0.58 -0.36 -0.51 -1.11 0.00 0.00 177.39 175.23 1lab s ILE 73 N -1.28 0.64 0.07 1.96 -1.16 -1.26 0.22 121.20 120.39 1lab s ILE 73 Ca 0.00 -1.95 0.01 0.00 -0.51 0.00 0.00 60.65 58.20 1lab s ILE 73 Cb 0.00 -1.86 -0.04 0.00 0.61 0.00 0.00 42.46 41.17 1lab s ILE 73 CO 0.00 -0.70 -0.05 0.28 -2.81 0.00 0.00 174.94 171.65 1lab s THR 74 N -3.67 0.48 0.04 4.00 -1.32 -0.90 -3.88 115.64 110.39 1lab s THR 74 Ca 0.17 -1.67 0.01 0.00 -1.21 0.00 0.00 61.69 59.00 1lab s THR 74 Cb 0.06 -1.33 -0.02 0.00 -1.51 0.00 0.00 72.50 69.69 1lab s THR 74 CO -0.01 -0.80 -0.06 -0.22 -2.21 0.00 0.00 174.62 171.32 1lab s LEU 75 N -2.62 2.27 0.13 9.08 0.20 -0.78 -3.49 118.68 123.48 1lab s LEU 75 Ca 0.04 -0.58 0.08 0.00 0.69 0.00 0.00 54.13 54.37 1lab s LEU 75 Cb 0.02 -0.06 -0.04 0.00 -0.43 0.00 0.00 46.19 45.68 1lab s LEU 75 CO -0.05 -0.26 -0.12 1.51 -0.29 0.00 0.00 176.35 177.14 1lab s ASP 76 N -1.67 4.22 -0.03 3.68 -4.77 -1.11 0.25 116.67 117.25 1lab s ASP 76 Ca -0.10 -0.49 0.01 0.00 -3.30 0.00 0.00 52.55 48.67 1lab s ASP 76 Cb -0.08 -0.72 -0.02 0.00 -1.09 0.00 0.00 42.92 41.00 1lab s ASP 76 CO -0.01 0.15 -0.01 0.00 0.70 0.00 0.00 175.17 176.00 1lab n ALA 77 N 0.52 1.94 -0.61 2.11 0.00 -1.26 -3.56 120.51 119.64 1lab n ALA 77 Ca -0.13 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.01 1lab n ALA 77 Cb 0.53 0.36 0.25 0.00 0.00 0.00 0.00 19.45 20.59 1lab n ALA 77 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1lab n PRO 78 N -2.42 -3.95 0.00 0.00 -0.02 -1.26 -4.80 135.00 122.55 1lab n PRO 78 Ca -0.05 -1.42 0.00 0.00 -2.02 0.00 0.00 63.50 60.01 1lab n PRO 78 Cb 0.56 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1lab n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lab n GLY 79 N -4.76 3.31 0.00 -1.23 0.00 -1.26 -5.16 105.19 96.10 1lab n GLY 79 Ca 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1lab n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60