#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pcf s GLU 2 N 0.00 3.34 -0.21 1.45 2.02 -1.26 -3.89 118.70 120.14 2pcf s GLU 2 Ca 0.00 1.03 -0.08 0.00 0.02 0.00 0.00 54.97 55.94 2pcf s GLU 2 Cb 0.00 -4.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 2pcf s GLU 2 CO 0.00 -1.86 0.08 0.08 0.02 0.00 0.00 175.26 173.58 2pcf s VAL 3 N 6.49 4.74 -0.36 2.63 1.01 -1.04 -4.12 120.40 129.74 2pcf s VAL 3 Ca 0.68 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 2pcf s VAL 3 Cb -0.17 -3.17 0.08 0.00 0.00 0.00 0.00 36.38 33.12 2pcf s VAL 3 CO 0.31 0.40 0.11 -0.76 0.00 0.00 0.00 175.10 175.16 2pcf s LEU 4 N 0.89 4.59 0.36 3.92 1.43 -0.02 -1.40 118.68 128.46 2pcf s LEU 4 Ca 0.04 -1.60 -0.28 0.00 -1.03 0.00 0.00 54.13 51.27 2pcf s LEU 4 Cb -0.14 -1.79 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 2pcf s LEU 4 CO 0.03 -0.40 1.31 -0.76 0.23 0.00 0.00 176.35 176.75 2pcf s LEU 5 N 1.23 4.35 0.01 1.79 1.02 0.13 -3.68 118.68 123.54 2pcf s LEU 5 Ca 0.02 2.68 0.00 0.00 0.02 0.00 0.00 54.13 56.84 2pcf s LEU 5 Cb -0.21 -3.74 0.00 0.00 0.02 0.00 0.00 46.19 42.26 2pcf s LEU 5 CO -0.02 -0.64 0.00 0.61 0.02 0.00 0.00 176.35 176.32 2pcf n GLY 6 N 0.74 -3.10 0.00 -3.19 0.00 -1.21 -1.45 105.19 96.99 2pcf n GLY 6 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2pcf n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pcf n GLY 7 N -0.88 0.99 0.00 -0.02 0.00 -0.38 -4.65 105.19 100.26 2pcf n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pcf n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pcf n GLY 8 N 5.00 0.32 0.37 -0.02 0.00 -1.26 -4.66 105.19 104.93 2pcf n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pcf n GLY 8 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pcf n ASP 9 N -0.22 0.00 0.00 1.61 5.75 -1.26 -5.03 116.55 117.40 2pcf n ASP 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2pcf n ASP 9 Cb 0.27 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 2pcf n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pcf n GLY 10 N 0.65 0.00 3.27 6.12 0.00 -1.26 -4.95 105.19 109.02 2pcf n GLY 10 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2pcf n GLY 10 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pcf s SER 11 N 0.00 6.10 -0.88 1.61 0.15 -1.26 -4.87 113.70 114.55 2pcf s SER 11 Ca 0.00 -2.05 -0.25 0.00 0.70 0.00 0.00 55.95 54.35 2pcf s SER 11 Cb 0.00 -2.13 0.02 0.00 -1.71 0.00 0.00 66.02 62.20 2pcf s SER 11 CO 0.00 -0.73 1.50 -0.76 1.20 0.00 0.00 173.24 174.45 2pcf s LEU 12 N 1.17 3.33 -0.28 3.45 1.43 -1.26 -1.25 118.68 125.28 2pcf s LEU 12 Ca 0.07 -0.86 -0.24 0.00 -1.03 0.00 0.00 54.13 52.07 2pcf s LEU 12 Cb -0.25 -2.56 0.11 0.00 0.03 0.00 0.00 46.19 43.52 2pcf s LEU 12 CO -0.01 -1.86 0.94 0.00 0.23 0.00 0.00 176.35 175.65 2pcf s ALA 13 N 6.27 -1.93 0.09 4.21 0.00 -1.26 -4.17 121.76 124.97 2pcf s ALA 13 Ca 0.48 1.95 -0.31 0.00 0.00 0.00 0.00 51.96 54.07 2pcf s ALA 13 Cb -0.05 -1.38 -0.08 0.00 0.00 0.00 0.00 23.12 21.61 2pcf s ALA 13 CO 0.02 -0.27 1.49 -0.06 0.00 0.00 0.00 175.76 176.94 2pcf s PHE 14 N 0.35 2.92 -0.29 0.00 0.40 -1.26 -3.65 117.98 116.46 2pcf s PHE 14 Ca 0.01 0.70 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 2pcf s PHE 14 Cb -0.05 -3.80 0.09 0.00 0.51 0.00 0.00 43.02 39.77 2pcf s PHE 14 CO -0.05 -2.98 0.05 -0.51 0.70 0.00 0.00 175.22 172.42 2pcf s LEU 15 N 1.77 2.70 0.83 -0.37 1.02 -1.24 -1.39 118.68 122.00 2pcf s LEU 15 Ca 0.68 -1.54 -0.12 0.00 0.02 0.00 0.00 54.13 53.16 2pcf s LEU 15 Cb -0.38 -1.06 0.10 0.00 0.02 0.00 0.00 46.19 44.87 2pcf s LEU 15 CO 0.30 -0.35 1.19 -2.16 0.02 0.00 0.00 176.35 175.35 2pcf s PRO 16 N 1.45 1.77 -0.05 1.29 0.04 -1.26 -0.84 135.00 137.40 2pcf s PRO 16 Ca 0.05 0.06 0.17 0.00 0.04 0.00 0.00 61.00 61.32 2pcf s PRO 16 Cb -0.18 -1.93 0.53 0.00 0.04 0.00 0.00 34.50 32.96 2pcf s PRO 16 CO -0.16 -1.72 1.45 0.41 0.04 0.00 0.00 177.00 177.02 2pcf n GLY 17 N -3.31 2.84 3.19 0.56 0.00 -0.49 -4.82 105.19 103.16 2pcf n GLY 17 Ca 0.09 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.46 2pcf n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pcf s ASP 18 N -1.08 -0.88 0.28 1.61 2.15 -1.26 -2.97 116.67 114.52 2pcf s ASP 18 Ca 0.40 0.62 0.02 0.00 0.43 0.00 0.00 52.55 54.02 2pcf s ASP 18 Cb 0.24 1.76 -0.06 0.00 -0.30 0.00 0.00 42.92 44.57 2pcf s ASP 18 CO 0.22 -0.16 0.08 0.72 -0.17 0.00 0.00 175.17 175.85 2pcf s PHE 19 N 2.87 1.68 -0.09 -5.34 -0.12 -1.24 -5.01 117.98 110.73 2pcf s PHE 19 Ca 0.08 -1.09 0.04 0.00 -0.05 0.00 0.00 56.93 55.90 2pcf s PHE 19 Cb -0.12 -1.02 0.00 0.00 -0.63 0.00 0.00 43.02 41.25 2pcf s PHE 19 CO -0.16 -0.21 -0.22 -1.12 -0.05 0.00 0.00 175.22 173.47 2pcf s SER 20 N -3.37 2.80 0.03 1.98 0.01 -1.26 -2.18 113.70 111.71 2pcf s SER 20 Ca 0.37 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2pcf s SER 20 Cb 0.08 -1.26 -0.00 0.00 0.21 0.00 0.00 66.02 65.05 2pcf s SER 20 CO 0.14 0.14 0.01 1.33 0.41 0.00 0.00 173.24 175.27 2pcf n VAL 21 N 3.56 0.00 -4.31 3.43 0.24 -1.01 -4.93 118.33 115.31 2pcf n VAL 21 Ca -0.20 -0.20 -0.20 0.00 -2.04 0.00 0.00 64.34 61.70 2pcf n VAL 21 Cb 0.53 0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.89 2pcf n VAL 21 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pcf s ALA 22 N -2.10 1.98 -0.41 2.33 0.00 -1.26 -1.70 121.76 120.60 2pcf s ALA 22 Ca 0.02 -1.97 -0.28 0.00 0.00 0.00 0.00 51.96 49.72 2pcf s ALA 22 Cb 0.00 1.40 -0.00 0.00 0.00 0.00 0.00 23.12 24.52 2pcf s ALA 22 CO 0.01 -0.63 1.59 0.45 0.00 0.00 0.00 175.76 177.19 2pcf s SER 23 N -3.40 6.07 0.00 0.00 0.15 -1.26 -2.54 113.70 112.73 2pcf s SER 23 Ca 0.39 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.96 2pcf s SER 23 Cb 0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2pcf s SER 23 CO 0.26 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 173.68 2pcf n GLY 24 N 5.27 1.47 3.92 9.45 0.00 -1.25 -5.03 105.19 119.02 2pcf n GLY 24 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2pcf n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pcf s GLU 25 N 0.00 1.66 -0.04 1.61 0.41 -1.05 -5.07 118.70 116.22 2pcf s GLU 25 Ca 0.00 -0.19 0.03 0.00 -0.41 0.00 0.00 54.97 54.40 2pcf s GLU 25 Cb 0.00 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 2pcf s GLU 25 CO 0.00 -1.71 -0.13 -1.21 -0.49 0.00 0.00 175.26 171.72 2pcf s GLU 26 N -5.55 1.40 0.11 1.61 2.02 -1.26 -4.43 118.70 112.60 2pcf s GLU 26 Ca 0.65 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 55.15 2pcf s GLU 26 Cb -0.09 -1.24 -0.05 0.00 0.10 0.00 0.00 34.13 32.85 2pcf s GLU 26 CO 0.49 0.16 0.33 0.42 0.02 0.00 0.00 175.26 176.68 2pcf s ILE 27 N 0.17 5.23 0.03 -1.63 1.09 -1.20 -4.92 121.20 119.97 2pcf s ILE 27 Ca -0.05 -0.05 0.03 0.00 -1.10 0.00 0.00 60.65 59.48 2pcf s ILE 27 Cb -0.11 -3.62 -0.02 0.00 -1.06 0.00 0.00 42.46 37.65 2pcf s ILE 27 CO 0.02 0.09 -0.10 -0.69 -0.10 0.00 0.00 174.94 174.16 2pcf s VAL 28 N -1.59 0.75 -0.51 2.92 1.01 -1.25 -2.72 120.40 119.00 2pcf s VAL 28 Ca 0.38 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2pcf s VAL 28 Cb -0.12 -0.72 0.17 0.00 0.00 0.00 0.00 36.38 35.71 2pcf s VAL 28 CO 0.25 -0.09 0.40 0.49 0.00 0.00 0.00 175.10 176.14 2pcf n PHE 29 N 2.01 0.51 -2.77 5.22 3.72 -1.01 -2.51 117.46 122.64 2pcf n PHE 29 Ca -0.18 -3.65 -0.42 0.00 -0.05 0.00 0.00 57.45 53.14 2pcf n PHE 29 Cb 0.56 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 39.02 2pcf n PHE 29 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2pcf s LYS 30 N -0.48 4.36 -0.15 -1.08 1.02 -0.49 -2.90 119.74 120.01 2pcf s LYS 30 Ca 0.30 1.24 -0.15 0.00 0.02 0.00 0.00 55.97 57.38 2pcf s LYS 30 Cb 0.01 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2pcf s LYS 30 CO -0.19 -0.35 0.34 0.54 -0.92 0.00 0.00 175.35 174.77 2pcf s ASN 31 N 1.12 6.50 -0.02 2.83 4.22 -1.20 0.22 114.94 128.60 2pcf s ASN 31 Ca 0.44 0.58 -0.03 0.00 -2.14 0.00 0.00 52.86 51.71 2pcf s ASN 31 Cb -0.17 -2.21 -0.01 0.00 1.28 0.00 0.00 41.25 40.14 2pcf s ASN 31 CO 0.14 0.08 -0.06 -3.20 -2.04 0.00 0.00 177.10 172.03 2pcf n ASN 32 N 3.57 0.37 -4.23 3.54 5.15 -0.53 -3.28 115.26 119.85 2pcf n ASN 32 Ca -0.11 0.06 -0.19 0.00 -0.60 0.00 0.00 54.58 53.74 2pcf n ASN 32 Cb 0.52 -0.44 -0.12 0.00 -0.53 0.00 0.00 39.78 39.21 2pcf n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pcf s ALA 33 N -2.76 1.47 0.00 5.20 0.00 -1.26 -4.64 121.76 119.78 2pcf s ALA 33 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2pcf s ALA 33 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2pcf s ALA 33 CO 0.07 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2pcf n GLY 34 N 0.85 0.81 3.66 0.00 0.00 -1.26 -4.21 105.19 105.04 2pcf n GLY 34 Ca -0.18 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 2pcf n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pcf s PHE 35 N -2.00 1.89 0.54 1.61 -0.12 -1.26 -4.55 117.98 114.08 2pcf s PHE 35 Ca 0.00 1.51 -0.15 0.00 -0.05 0.00 0.00 56.93 58.23 2pcf s PHE 35 Cb 0.00 -3.20 -0.07 0.00 -0.63 0.00 0.00 43.02 39.12 2pcf s PHE 35 CO 0.00 -2.76 1.00 -1.25 -0.05 0.00 0.00 175.22 172.16 2pcf s PRO 36 N -4.72 3.83 -0.29 1.99 0.04 -1.26 -5.03 135.00 129.56 2pcf s PRO 36 Ca 0.65 0.94 0.12 0.00 0.04 0.00 0.00 61.00 62.75 2pcf s PRO 36 Cb -0.21 -2.12 0.47 0.00 0.04 0.00 0.00 34.50 32.68 2pcf s PRO 36 CO 0.59 -0.37 1.15 0.72 0.04 0.00 0.00 177.00 179.13 2pcf n HIS 37 N -1.83 2.30 -2.12 0.56 8.25 -0.66 -4.69 115.22 117.03 2pcf n HIS 37 Ca 0.07 -2.27 -0.42 0.00 -0.26 0.00 0.00 57.72 54.83 2pcf n HIS 37 Cb 0.54 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 2pcf n HIS 37 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2pcf s ASN 38 N -3.64 6.77 0.12 0.41 4.22 -1.26 -4.86 114.94 116.69 2pcf s ASN 38 Ca 0.43 2.34 0.02 0.00 -2.14 0.00 0.00 52.86 53.51 2pcf s ASN 38 Cb 0.38 -2.58 -0.04 0.00 1.28 0.00 0.00 41.25 40.30 2pcf s ASN 38 CO 0.00 -0.72 0.25 0.68 -2.04 0.00 0.00 177.10 175.27 2pcf s VAL 39 N 1.59 5.31 -0.04 3.54 -7.23 -1.26 -1.39 120.40 120.92 2pcf s VAL 39 Ca 0.66 -0.60 -0.02 0.00 -1.81 0.00 0.00 61.98 60.22 2pcf s VAL 39 Cb -0.37 -3.68 0.03 0.00 0.56 0.00 0.00 36.38 32.92 2pcf s VAL 39 CO 0.30 -0.01 0.07 0.68 -0.31 0.00 0.00 175.10 175.83 2pcf s VAL 40 N -1.66 -0.12 0.16 1.32 -7.23 -1.04 -3.33 120.40 108.51 2pcf s VAL 40 Ca 0.35 0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.57 2pcf s VAL 40 Cb -0.12 -0.16 -0.08 0.00 0.56 0.00 0.00 36.38 36.59 2pcf s VAL 40 CO 0.28 0.15 1.26 -0.36 -0.31 0.00 0.00 175.10 176.12 2pcf s PHE 41 N 1.87 3.35 0.31 2.82 0.40 -1.26 -3.50 117.98 121.97 2pcf s PHE 41 Ca 0.01 1.28 0.02 0.00 -0.60 0.00 0.00 56.93 57.64 2pcf s PHE 41 Cb -0.12 -3.51 -0.03 0.00 0.51 0.00 0.00 43.02 39.86 2pcf s PHE 41 CO -0.04 -1.58 0.49 0.34 0.70 0.00 0.00 175.22 175.13 2pcf s ASP 42 N 0.46 6.29 -0.75 1.36 -1.08 -1.22 -4.76 116.67 116.98 2pcf s ASP 42 Ca 0.56 0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 52.89 2pcf s ASP 42 Cb -0.34 -1.96 0.40 0.00 -1.46 0.00 0.00 42.92 39.57 2pcf s ASP 42 CO 0.35 -0.23 2.02 1.21 0.52 0.00 0.00 175.17 179.04 2pcf n GLU 43 N -1.67 2.73 -0.00 4.34 4.07 -1.26 -4.26 120.64 124.59 2pcf n GLU 43 Ca -0.06 -3.42 0.00 0.00 -0.06 0.00 0.00 57.16 53.62 2pcf n GLU 43 Cb 0.56 -2.28 -0.01 0.00 -0.06 0.00 0.00 31.44 29.66 2pcf n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2pcf n ASP 44 N -0.73 4.82 -0.57 4.31 8.00 -1.26 -4.70 116.55 126.42 2pcf n ASP 44 Ca 0.58 0.00 0.06 0.00 0.71 0.00 0.00 54.79 56.14 2pcf n ASP 44 Cb 0.46 0.84 0.13 0.00 -0.02 0.00 0.00 41.12 42.53 2pcf n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2pcf n GLU 45 N -1.72 1.05 -3.33 -1.24 1.02 -1.26 -5.05 120.64 110.12 2pcf n GLU 45 Ca -0.01 -2.60 -0.38 0.00 -0.02 0.00 0.00 57.16 54.15 2pcf n GLU 45 Cb 0.21 -1.19 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 2pcf n GLU 45 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pcf s ILE 46 N -2.23 4.81 -0.05 -3.67 1.01 -1.26 -4.31 121.20 115.50 2pcf s ILE 46 Ca 0.31 1.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.97 2pcf s ILE 46 Cb 0.30 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 2pcf s ILE 46 CO -0.05 0.49 0.32 1.55 0.00 0.00 0.00 174.94 177.24 2pcf h PRO 47 N 4.33 -0.22 0.00 2.79 0.13 -1.93 -3.47 132.00 133.62 2pcf h PRO 47 Ca -0.50 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.24 2pcf h PRO 47 Cb 1.21 0.05 0.11 0.00 0.13 0.00 0.00 31.00 32.50 2pcf h PRO 47 CO 0.64 -0.15 0.23 0.45 -0.23 0.00 0.00 178.00 178.93 2pcf n SER 48 N -4.31 0.75 0.00 1.44 2.88 -1.26 -5.08 113.62 108.03 2pcf n SER 48 Ca -0.03 -1.79 0.00 0.00 -1.33 0.00 0.00 58.87 55.73 2pcf n SER 48 Cb 0.09 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2pcf n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pcf n GLY 49 N -2.45 0.99 1.39 0.46 0.00 -1.26 -5.04 105.19 99.29 2pcf n GLY 49 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 2pcf n GLY 49 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pcf n VAL 50 N 0.00 -1.36 -3.06 1.61 3.14 -1.26 -4.88 118.33 112.52 2pcf n VAL 50 Ca 0.00 1.03 -0.29 0.00 -2.96 0.00 0.00 64.34 62.11 2pcf n VAL 50 Cb 0.00 -1.60 -0.03 0.00 -1.06 0.00 0.00 33.84 31.15 2pcf n VAL 50 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2pcf s ASP 51 N -6.64 6.48 0.21 6.55 2.15 -1.26 -4.99 116.67 119.17 2pcf s ASP 51 Ca 0.00 0.95 0.12 0.00 0.43 0.00 0.00 52.55 54.04 2pcf s ASP 51 Cb 0.00 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.34 2pcf s ASP 51 CO 0.00 -0.32 1.38 0.00 -0.17 0.00 0.00 175.17 176.06 2pcf h ALA 52 N 1.41 0.54 0.00 3.66 0.00 -1.90 -3.14 119.26 119.84 2pcf h ALA 52 Ca -0.47 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2pcf h ALA 52 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2pcf h ALA 52 CO 0.65 0.90 0.00 0.00 0.00 0.00 0.00 179.25 180.80 2pcf h ALA 53 N 1.28 1.00 0.01 0.00 0.00 -1.89 0.89 119.26 120.55 2pcf h ALA 53 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2pcf h ALA 53 Cb 1.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2pcf h ALA 53 CO 0.09 0.00 -0.90 -0.22 0.00 0.00 0.00 179.25 178.23 2pcf h LYS 54 N 0.00 0.08 -0.14 0.00 1.63 -1.95 -3.28 116.57 112.91 2pcf h LYS 54 Ca 0.00 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2pcf h LYS 54 Cb 0.47 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 2pcf h LYS 54 CO 0.00 0.92 0.00 0.44 -3.45 0.00 0.00 179.45 177.36 2pcf n ILE 55 N -3.56 0.50 -3.77 2.00 -5.35 -1.06 -5.01 119.36 103.11 2pcf n ILE 55 Ca -0.02 -0.75 -0.25 0.00 -0.27 0.00 0.00 62.75 61.46 2pcf n ILE 55 Cb 0.83 0.84 -0.00 0.00 -1.74 0.00 0.00 39.64 39.57 2pcf n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2pcf s SER 56 N -0.85 4.71 0.34 7.28 0.01 0.28 -4.17 113.70 121.30 2pcf s SER 56 Ca 0.14 -1.16 0.05 0.00 1.31 0.00 0.00 55.95 56.29 2pcf s SER 56 Cb 0.08 0.32 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 2pcf s SER 56 CO 0.11 -1.09 0.48 -0.04 0.41 0.00 0.00 173.24 173.11 2pcf s MET 57 N -4.31 3.18 0.00 12.44 -1.94 -1.21 -4.88 119.30 122.58 2pcf s MET 57 Ca 0.38 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.50 2pcf s MET 57 Cb -0.03 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 34.03 2pcf s MET 57 CO 0.24 0.08 0.00 0.45 -0.01 0.00 0.00 175.02 175.77 2pcf n SER 58 N -1.67 0.00 0.02 3.03 2.88 -1.26 -4.98 113.62 111.64 2pcf n SER 58 Ca -0.02 -0.85 -0.03 0.00 -1.33 0.00 0.00 58.87 56.64 2pcf n SER 58 Cb 0.58 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.94 2pcf n SER 58 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2pcf h GLU 59 N 0.00 0.00 0.08 -1.46 9.09 -2.04 -3.35 114.58 116.90 2pcf h GLU 59 Ca 0.00 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.15 2pcf h GLU 59 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2pcf h GLU 59 CO 0.00 0.43 -1.23 0.93 0.05 0.00 0.00 179.01 179.19 2pcf h GLU 60 N 0.00 0.17 -4.83 1.06 3.07 -2.06 -3.40 114.58 108.60 2pcf h GLU 60 Ca -0.18 -0.30 -0.71 0.00 -0.50 0.00 0.00 59.36 57.67 2pcf h GLU 60 Cb 1.74 0.11 -0.19 0.00 -0.84 0.00 0.00 28.75 29.57 2pcf h GLU 60 CO 0.07 1.11 0.68 -0.51 -1.40 0.00 0.00 179.01 178.95 2pcf s ASP 61 N -6.94 6.62 0.05 1.42 1.11 -1.26 -5.00 116.67 112.67 2pcf s ASP 61 Ca -0.03 -2.10 0.07 0.00 0.18 0.00 0.00 52.55 50.67 2pcf s ASP 61 Cb 0.08 -2.36 -0.03 0.00 1.07 0.00 0.00 42.92 41.67 2pcf s ASP 61 CO 0.86 -0.99 -0.18 -0.76 1.18 0.00 0.00 175.17 175.28 2pcf s LEU 62 N 2.30 2.64 -1.17 1.23 1.43 -1.26 -4.26 118.68 119.60 2pcf s LEU 62 Ca 0.29 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2pcf s LEU 62 Cb -0.07 -1.53 0.20 0.00 0.03 0.00 0.00 46.19 44.82 2pcf s LEU 62 CO -0.08 0.24 1.32 -0.76 0.23 0.00 0.00 176.35 177.30 2pcf s LEU 63 N -1.54 5.47 -0.02 1.79 1.02 -1.26 -4.68 118.68 119.45 2pcf s LEU 63 Ca 0.15 -3.15 0.19 0.00 0.02 0.00 0.00 54.13 51.35 2pcf s LEU 63 Cb -0.11 -2.34 -0.28 0.00 0.02 0.00 0.00 46.19 43.48 2pcf s LEU 63 CO 0.06 -0.61 0.52 -3.20 0.02 0.00 0.00 176.35 173.14 2pcf n ASN 64 N 4.75 0.61 -4.86 2.29 5.15 -1.26 -1.66 115.26 120.28 2pcf n ASN 64 Ca 0.32 -0.22 -0.35 0.00 -0.60 0.00 0.00 54.58 53.73 2pcf n ASN 64 Cb 0.42 1.69 -0.05 0.00 -0.53 0.00 0.00 39.78 41.30 2pcf n ASN 64 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pcf s ALA 65 N -3.23 3.69 -1.17 5.20 0.00 -1.26 -4.75 121.76 120.24 2pcf s ALA 65 Ca -0.04 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.38 2pcf s ALA 65 Cb 0.13 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.96 2pcf s ALA 65 CO 0.81 0.55 1.72 -1.25 0.00 0.00 0.00 175.76 177.58 2pcf s PRO 66 N -1.98 3.50 0.00 0.00 0.04 -1.26 -3.15 135.00 132.15 2pcf s PRO 66 Ca 0.35 -1.48 0.00 0.00 0.04 0.00 0.00 61.00 59.90 2pcf s PRO 66 Cb -0.14 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.00 2pcf s PRO 66 CO 0.19 -2.65 0.00 0.41 0.04 0.00 0.00 177.00 174.99 2pcf n GLY 67 N 5.98 0.30 3.77 0.56 0.00 -1.20 -4.99 105.19 109.60 2pcf n GLY 67 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 2pcf n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pcf s GLU 68 N 0.00 3.39 0.02 1.61 2.56 -1.19 -4.87 118.70 120.23 2pcf s GLU 68 Ca 0.00 1.73 0.02 0.00 0.00 0.00 0.00 54.97 56.72 2pcf s GLU 68 Cb 0.00 -2.12 -0.02 0.00 2.00 0.00 0.00 34.13 34.00 2pcf s GLU 68 CO 0.00 -0.85 -0.07 0.95 -0.56 0.00 0.00 175.26 174.74 2pcf s THR 69 N -1.65 0.48 -0.35 -1.70 -4.23 -1.26 -3.28 115.64 103.64 2pcf s THR 69 Ca 0.71 -0.75 -0.07 0.00 -1.18 0.00 0.00 61.69 60.40 2pcf s THR 69 Cb -0.27 -0.50 0.05 0.00 1.34 0.00 0.00 72.50 73.12 2pcf s THR 69 CO 0.31 -0.20 0.13 -0.47 -0.54 0.00 0.00 174.62 173.85 2pcf s TYR 70 N -0.91 3.28 -0.17 3.99 5.04 -1.14 -4.85 117.35 122.59 2pcf s TYR 70 Ca -0.06 -1.45 -0.09 0.00 -2.44 0.00 0.00 57.07 53.03 2pcf s TYR 70 Cb -0.07 -2.39 -0.05 0.00 0.35 0.00 0.00 41.96 39.80 2pcf s TYR 70 CO 0.00 -0.75 0.13 0.15 -1.34 0.00 0.00 175.55 173.74 2pcf s LYS 71 N 1.40 3.89 -0.20 4.97 3.01 -1.26 -2.40 119.74 129.16 2pcf s LYS 71 Ca -0.01 -0.19 0.01 0.00 -1.01 0.00 0.00 55.97 54.77 2pcf s LYS 71 Cb -0.20 -3.32 0.04 0.00 -1.01 0.00 0.00 37.83 33.34 2pcf s LYS 71 CO 0.03 0.48 -0.13 0.08 0.51 0.00 0.00 175.35 176.32 2pcf s VAL 72 N -0.18 1.80 -0.61 3.17 1.01 -1.10 -4.94 120.40 119.55 2pcf s VAL 72 Ca 0.11 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 2pcf s VAL 72 Cb -0.11 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.52 2pcf s VAL 72 CO 0.00 0.25 0.97 -0.89 0.00 0.00 0.00 175.10 175.44 2pcf s THR 73 N 1.34 4.32 -0.06 3.92 2.01 -1.26 -3.27 115.64 122.63 2pcf s THR 73 Ca -0.00 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 2pcf s THR 73 Cb -0.16 -4.62 -0.04 0.00 0.01 0.00 0.00 72.50 67.69 2pcf s THR 73 CO -0.09 -1.31 0.16 -0.76 -0.69 0.00 0.00 174.62 171.93 2pcf s LEU 74 N 4.11 4.38 0.00 4.42 1.02 -1.26 -4.98 118.68 126.37 2pcf s LEU 74 Ca 0.27 0.41 0.00 0.00 0.02 0.00 0.00 54.13 54.83 2pcf s LEU 74 Cb -0.14 -2.34 0.00 0.00 0.02 0.00 0.00 46.19 43.73 2pcf s LEU 74 CO 0.15 0.34 0.00 0.35 0.02 0.00 0.00 176.35 177.21 2pcf n THR 75 N 1.46 0.00 -1.96 5.49 -2.24 -1.26 -3.85 114.28 111.93 2pcf n THR 75 Ca -0.15 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 2pcf n THR 75 Cb 0.54 -0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.45 2pcf n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2pcf s GLU 76 N -1.68 2.97 -0.26 -0.78 8.01 -1.26 -4.56 118.70 121.14 2pcf s GLU 76 Ca 0.00 1.59 -0.12 0.00 0.01 0.00 0.00 54.97 56.45 2pcf s GLU 76 Cb 0.00 -1.96 -0.05 0.00 -4.31 0.00 0.00 34.13 27.82 2pcf s GLU 76 CO 0.00 -1.15 0.22 0.15 0.01 0.00 0.00 175.26 174.49 2pcf s LYS 77 N -3.63 4.00 0.00 1.61 1.02 -1.26 -4.72 119.74 116.76 2pcf s LYS 77 Ca 0.72 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.48 2pcf s LYS 77 Cb -0.24 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 2pcf s LYS 77 CO 0.35 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 2pcf n GLY 78 N 4.74 -1.44 3.24 -3.33 0.00 0.77 -4.86 105.19 104.31 2pcf n GLY 78 Ca -0.13 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 2pcf n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pcf s THR 79 N -2.88 3.18 0.70 2.61 2.01 -1.26 -1.87 115.64 118.12 2pcf s THR 79 Ca 0.00 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.05 2pcf s THR 79 Cb 0.00 -2.64 0.12 0.00 0.01 0.00 0.00 72.50 69.99 2pcf s THR 79 CO 0.00 0.14 0.96 -0.31 -0.69 0.00 0.00 174.62 174.72 2pcf s TYR 80 N 1.37 1.57 -0.31 4.92 1.51 -0.01 -4.40 117.35 121.99 2pcf s TYR 80 Ca 0.00 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 2pcf s TYR 80 Cb -0.17 -2.87 0.15 0.00 -0.11 0.00 0.00 41.96 38.96 2pcf s TYR 80 CO -0.02 -1.62 0.36 0.21 -1.11 0.00 0.00 175.55 173.37 2pcf s LYS 81 N -5.07 0.44 0.23 -0.62 2.36 -1.26 -3.03 119.74 112.78 2pcf s LYS 81 Ca 0.66 -0.21 0.05 0.00 -2.55 0.00 0.00 55.97 53.91 2pcf s LYS 81 Cb -0.05 -0.52 -0.03 0.00 -1.05 0.00 0.00 37.83 36.17 2pcf s LYS 81 CO 0.43 -1.07 0.33 -0.59 1.55 0.00 0.00 175.35 176.00 2pcf s PHE 82 N 2.20 3.42 0.05 4.03 -0.12 -0.89 -3.38 117.98 123.29 2pcf s PHE 82 Ca 0.11 -0.01 -0.12 0.00 -0.05 0.00 0.00 56.93 56.86 2pcf s PHE 82 Cb -0.13 -1.57 0.01 0.00 -0.63 0.00 0.00 43.02 40.70 2pcf s PHE 82 CO -0.25 0.46 0.27 1.52 -0.05 0.00 0.00 175.22 177.18 2pcf s TYR 83 N -1.96 -0.05 -0.28 3.49 1.13 -1.23 -2.14 117.35 116.33 2pcf s TYR 83 Ca 0.34 -0.14 -0.29 0.00 -1.41 0.00 0.00 57.07 55.57 2pcf s TYR 83 Cb -0.09 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.80 2pcf s TYR 83 CO 0.28 -0.50 1.77 0.00 -2.51 0.00 0.00 175.55 174.59 2pcf h SER 85 N 12.24 -0.60 0.00 0.00 0.02 -1.56 0.95 113.55 124.60 2pcf h SER 85 Ca -0.35 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2pcf h SER 85 Cb 1.17 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2pcf h SER 85 CO 1.01 -0.24 0.00 -0.81 -1.14 0.00 0.00 176.83 175.66 2pcf n PRO 86 N -5.34 0.75 -2.60 3.45 -0.04 -1.26 -3.54 135.00 126.42 2pcf n PRO 86 Ca -0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.40 2pcf n PRO 86 Cb 0.25 -1.33 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2pcf n PRO 86 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2pcf n HIS 87 N 0.22 -0.82 0.07 0.54 8.25 0.15 -4.99 115.22 118.66 2pcf n HIS 87 Ca 0.00 -0.94 -0.21 0.00 -0.26 0.00 0.00 57.72 56.30 2pcf n HIS 87 Cb 0.22 1.24 -0.13 0.00 1.12 0.00 0.00 29.99 32.44 2pcf n HIS 87 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2pcf h GLN 88 N 1.25 0.53 -0.00 -0.41 4.20 -1.11 -3.22 115.11 116.35 2pcf h GLN 88 Ca -0.49 -0.73 0.00 0.00 0.06 0.00 0.00 58.65 57.49 2pcf h GLN 88 Cb 1.24 0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.26 2pcf h GLN 88 CO -0.17 1.32 -0.18 0.41 -0.67 0.00 0.00 178.83 179.54 2pcf n GLY 89 N 1.41 -1.15 0.33 3.46 0.00 -1.26 -4.09 105.19 103.89 2pcf n GLY 89 Ca -0.14 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2pcf n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pcf h ALA 90 N 3.32 -0.84 0.00 4.61 0.00 -1.94 -3.48 119.26 120.94 2pcf h ALA 90 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pcf h ALA 90 Cb 0.43 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2pcf h ALA 90 CO 0.00 -0.78 0.00 0.41 0.00 0.00 0.00 179.25 178.88 2pcf n GLY 91 N -0.34 -0.73 3.39 0.00 0.00 -1.25 -5.11 105.19 101.15 2pcf n GLY 91 Ca -0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 2pcf n GLY 91 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2pcf s MET 92 N 0.00 3.02 0.03 1.61 0.23 -1.26 -4.89 119.30 118.04 2pcf s MET 92 Ca 0.00 -1.31 -0.09 0.00 -1.03 0.00 0.00 55.69 53.26 2pcf s MET 92 Cb 0.00 -4.17 0.00 0.00 -1.53 0.00 0.00 34.83 29.13 2pcf s MET 92 CO 0.00 -1.18 0.17 0.14 -2.03 0.00 0.00 175.02 172.13 2pcf s VAL 93 N 1.95 0.10 0.38 5.16 -7.23 -1.26 -3.14 120.40 116.36 2pcf s VAL 93 Ca 0.07 -0.84 0.05 0.00 -1.81 0.00 0.00 61.98 59.45 2pcf s VAL 93 Cb -0.24 -0.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 2pcf s VAL 93 CO 0.07 -0.46 0.19 -0.83 -0.31 0.00 0.00 175.10 173.76 2pcf s GLY 94 N -1.85 2.51 -0.13 2.32 0.00 -0.91 -4.63 107.32 104.64 2pcf s GLY 94 Ca -0.08 -1.54 -0.12 0.00 0.00 0.00 0.00 44.72 42.98 2pcf s GLY 94 CO -0.02 -1.68 0.34 -1.59 0.00 0.00 0.00 173.10 170.15 2pcf s LYS 95 N -3.60 0.39 -0.43 2.90 -2.85 -1.16 -2.10 119.74 112.89 2pcf s LYS 95 Ca 0.30 0.47 -0.19 0.00 -1.00 0.00 0.00 55.97 55.56 2pcf s LYS 95 Cb 0.02 0.19 0.03 0.00 -2.06 0.00 0.00 37.83 36.01 2pcf s LYS 95 CO 0.20 -0.05 0.53 0.08 0.10 0.00 0.00 175.35 176.21 2pcf s VAL 96 N 0.20 4.97 -1.20 1.79 1.01 -1.17 -3.59 120.40 122.41 2pcf s VAL 96 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 2pcf s VAL 96 Cb -0.02 -4.13 0.22 0.00 0.00 0.00 0.00 36.38 32.45 2pcf s VAL 96 CO 0.00 -0.52 1.79 0.41 0.00 0.00 0.00 175.10 176.78 2pcf n THR 97 N 5.61 4.93 -2.76 3.92 -1.04 -0.93 -0.83 114.28 123.18 2pcf n THR 97 Ca -0.05 -5.06 -0.40 0.00 -2.04 0.00 0.00 64.05 56.50 2pcf n THR 97 Cb 0.47 -2.17 -0.06 0.00 -1.82 0.00 0.00 70.33 66.76 2pcf n THR 97 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2pcf s VAL 98 N -1.26 4.10 0.00 12.58 0.11 -0.78 -2.41 120.40 132.74 2pcf s VAL 98 Ca 0.38 2.07 0.00 0.00 -2.93 0.00 0.00 61.98 61.50 2pcf s VAL 98 Cb 0.10 -4.32 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 2pcf s VAL 98 CO 0.02 0.49 0.00 -0.46 -3.33 0.00 0.00 175.10 171.83