#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 3.35 -0.26 1.45 2.02 -1.26 -3.91 118.70 120.10 2pcf s GLU 2 Ca 0.00 1.18 -0.09 0.00 0.02 0.00 0.00 54.97 56.08 2pcf s GLU 2 Cb 0.00 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.04 2pcf s GLU 2 CO 0.00 -1.84 0.11 0.08 0.02 0.00 0.00 175.26 173.63 2pcf s VAL 3 N 6.57 4.65 -0.45 2.63 1.01 -1.05 -4.11 120.40 129.66 2pcf s VAL 3 Ca 0.72 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 2pcf s VAL 3 Cb -0.18 -3.19 0.10 0.00 0.00 0.00 0.00 36.38 33.11 2pcf s VAL 3 CO 0.32 0.31 0.30 -0.76 0.00 0.00 0.00 175.10 175.27 2pcf s LEU 4 N 1.62 5.45 0.40 3.92 1.43 0.10 -1.40 118.68 130.20 2pcf s LEU 4 Ca 0.06 -1.79 -0.27 0.00 -1.03 0.00 0.00 54.13 51.11 2pcf s LEU 4 Cb -0.15 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 2pcf s LEU 4 CO 0.06 -0.62 1.35 -0.76 0.23 0.00 0.00 176.35 176.60 2pcf s LEU 5 N 1.36 4.24 0.02 1.79 1.02 0.16 -3.80 118.68 123.47 2pcf s LEU 5 Ca 0.05 2.75 0.00 0.00 0.02 0.00 0.00 54.13 56.95 2pcf s LEU 5 Cb -0.25 -3.84 0.00 0.00 0.02 0.00 0.00 46.19 42.12 2pcf s LEU 5 CO -0.00 -0.86 0.00 0.61 0.02 0.00 0.00 176.35 176.12 2pcf n GLY 6 N 0.65 -3.22 0.00 -3.19 0.00 -1.21 -1.63 105.19 96.59 2pcf n GLY 6 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.73 0.79 0.00 -0.02 0.00 -0.55 -4.63 105.19 100.04 2pcf n GLY 7 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 4.50 -0.15 0.20 -0.02 0.00 -1.26 -4.68 105.19 103.78 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 -0.18 0.00 0.00 1.61 5.75 -1.26 -5.03 116.55 117.43 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 0.32 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 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 0.66 0.00 3.23 6.12 0.00 -1.26 -4.97 105.19 108.97 2pcf n GLY 10 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 5.81 -0.83 1.61 0.15 -1.26 -4.88 113.70 114.29 2pcf s SER 11 Ca 0.00 -1.95 -0.25 0.00 0.70 0.00 0.00 55.95 54.44 2pcf s SER 11 Cb 0.00 -2.05 0.03 0.00 -1.71 0.00 0.00 66.02 62.29 2pcf s SER 11 CO 0.00 -0.71 1.44 -0.76 1.20 0.00 0.00 173.24 174.41 2pcf s LEU 12 N 1.31 3.28 -0.28 3.45 1.43 -1.26 -1.49 118.68 125.12 2pcf s LEU 12 Ca 0.06 -0.71 -0.23 0.00 -1.03 0.00 0.00 54.13 52.21 2pcf s LEU 12 Cb -0.26 -2.56 0.12 0.00 0.03 0.00 0.00 46.19 43.52 2pcf s LEU 12 CO -0.01 -1.84 0.98 0.00 0.23 0.00 0.00 176.35 175.72 2pcf s ALA 13 N 6.11 -2.00 0.10 4.21 0.00 -1.26 -4.16 121.76 124.75 2pcf s ALA 13 Ca 0.44 1.96 -0.31 0.00 0.00 0.00 0.00 51.96 54.05 2pcf s ALA 13 Cb -0.06 -1.46 -0.08 0.00 0.00 0.00 0.00 23.12 21.52 2pcf s ALA 13 CO 0.06 -0.27 1.52 -0.06 0.00 0.00 0.00 175.76 177.02 2pcf s PHE 14 N 0.46 2.88 -0.29 0.00 0.40 -1.26 -3.67 117.98 116.50 2pcf s PHE 14 Ca 0.01 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 2pcf s PHE 14 Cb -0.05 -3.83 0.09 0.00 0.51 0.00 0.00 43.02 39.74 2pcf s PHE 14 CO -0.08 -3.14 0.05 -0.51 0.70 0.00 0.00 175.22 172.24 2pcf s LEU 15 N 1.79 2.78 0.83 -0.37 1.02 -1.25 -1.25 118.68 122.23 2pcf s LEU 15 Ca 0.69 -1.58 -0.12 0.00 0.02 0.00 0.00 54.13 53.14 2pcf s LEU 15 Cb -0.39 -1.08 0.09 0.00 0.02 0.00 0.00 46.19 44.83 2pcf s LEU 15 CO 0.31 -0.36 1.18 -2.16 0.02 0.00 0.00 176.35 175.34 2pcf s PRO 16 N 1.43 1.83 -0.06 1.29 0.04 -1.26 -0.72 135.00 137.55 2pcf s PRO 16 Ca 0.06 0.10 0.17 0.00 0.04 0.00 0.00 61.00 61.36 2pcf s PRO 16 Cb -0.18 -1.94 0.54 0.00 0.04 0.00 0.00 34.50 32.97 2pcf s PRO 16 CO -0.16 -1.69 1.46 0.41 0.04 0.00 0.00 177.00 177.06 2pcf n GLY 17 N -3.26 2.86 3.15 0.56 0.00 -0.38 -4.84 105.19 103.29 2pcf n GLY 17 Ca 0.08 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.09 -0.92 0.30 1.61 2.15 -1.26 -2.97 116.67 114.48 2pcf s ASP 18 Ca 0.40 0.51 0.03 0.00 0.43 0.00 0.00 52.55 53.92 2pcf s ASP 18 Cb 0.24 1.75 -0.06 0.00 -0.30 0.00 0.00 42.92 44.55 2pcf s ASP 18 CO 0.22 -0.17 0.06 0.72 -0.17 0.00 0.00 175.17 175.83 2pcf s PHE 19 N 2.91 1.82 -0.09 -5.34 -0.12 -1.24 -5.01 117.98 110.90 2pcf s PHE 19 Ca 0.11 -1.01 0.04 0.00 -0.05 0.00 0.00 56.93 56.01 2pcf s PHE 19 Cb -0.12 -1.14 0.00 0.00 -0.63 0.00 0.00 43.02 41.13 2pcf s PHE 19 CO -0.17 -0.08 -0.21 -1.12 -0.05 0.00 0.00 175.22 173.59 2pcf s SER 20 N -3.42 2.80 0.01 1.98 0.01 -1.26 -2.16 113.70 111.65 2pcf s SER 20 Ca 0.36 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2pcf s SER 20 Cb 0.08 -1.28 -0.00 0.00 0.21 0.00 0.00 66.02 65.03 2pcf s SER 20 CO 0.14 0.13 0.00 1.33 0.41 0.00 0.00 173.24 175.25 2pcf n VAL 21 N 3.62 0.00 -4.29 3.43 0.24 -1.03 -4.94 118.33 115.36 2pcf n VAL 21 Ca -0.20 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.34 61.86 2pcf n VAL 21 Cb 0.53 0.02 -0.08 0.00 -1.47 0.00 0.00 33.84 32.83 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 -2.02 1.91 -0.41 2.33 0.00 -1.26 -1.71 121.76 120.60 2pcf s ALA 22 Ca 0.00 -2.03 -0.28 0.00 0.00 0.00 0.00 51.96 49.65 2pcf s ALA 22 Cb 0.00 1.45 -0.00 0.00 0.00 0.00 0.00 23.12 24.57 2pcf s ALA 22 CO 0.00 -0.65 1.59 0.45 0.00 0.00 0.00 175.76 177.15 2pcf s SER 23 N -3.38 6.08 0.00 0.00 0.15 -1.26 -2.53 113.70 112.75 2pcf s SER 23 Ca 0.40 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.97 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 0.27 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 173.69 2pcf n GLY 24 N 5.27 1.49 3.92 9.45 0.00 -1.25 -5.03 105.19 119.04 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 1.79 -0.04 1.61 0.41 -1.05 -5.07 118.70 116.35 2pcf s GLU 25 Ca 0.00 -0.11 0.03 0.00 -0.41 0.00 0.00 54.97 54.48 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 -1.64 -0.14 -1.21 -0.49 0.00 0.00 175.26 171.78 2pcf s GLU 26 N -5.53 1.58 0.12 1.61 2.02 -1.26 -4.43 118.70 112.81 2pcf s GLU 26 Ca 0.64 -0.50 -0.05 0.00 0.02 0.00 0.00 54.97 55.08 2pcf s GLU 26 Cb -0.10 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.71 2pcf s GLU 26 CO 0.48 0.17 0.35 0.42 0.02 0.00 0.00 175.26 176.70 2pcf s ILE 27 N 0.21 5.19 0.03 -1.63 1.09 -1.21 -4.92 121.20 119.97 2pcf s ILE 27 Ca -0.06 0.04 0.04 0.00 -1.10 0.00 0.00 60.65 59.57 2pcf s ILE 27 Cb -0.12 -3.62 -0.02 0.00 -1.06 0.00 0.00 42.46 37.64 2pcf s ILE 27 CO 0.02 0.10 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.16 2pcf s VAL 28 N -1.59 0.86 -0.51 2.92 1.01 -1.25 -2.74 120.40 119.11 2pcf s VAL 28 Ca 0.38 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2pcf s VAL 28 Cb -0.12 -0.81 0.17 0.00 0.00 0.00 0.00 36.38 35.62 2pcf s VAL 28 CO 0.24 -0.06 0.39 -0.36 0.00 0.00 0.00 175.10 175.30 2pcf s PHE 29 N -0.85 1.90 -0.09 5.22 0.08 -1.00 -2.53 117.98 120.72 2pcf s PHE 29 Ca -0.01 -2.65 -0.28 0.00 0.12 0.00 0.00 56.93 54.11 2pcf s PHE 29 Cb -0.07 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.84 2pcf s PHE 29 CO 0.01 -0.74 0.93 0.15 -0.10 0.00 0.00 175.22 175.48 2pcf s LYS 30 N -0.42 4.44 -0.22 0.44 1.02 -0.49 -2.84 119.74 121.67 2pcf s LYS 30 Ca 0.30 1.27 -0.12 0.00 0.02 0.00 0.00 55.97 57.44 2pcf s LYS 30 Cb 0.00 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2pcf s LYS 30 CO -0.18 -0.21 0.23 0.54 -0.92 0.00 0.00 175.35 174.82 2pcf s ASN 31 N 1.05 6.25 -0.07 2.83 4.22 -1.20 0.36 114.94 128.38 2pcf s ASN 31 Ca 0.46 0.28 -0.07 0.00 -2.14 0.00 0.00 52.86 51.39 2pcf s ASN 31 Cb -0.19 -2.15 -0.02 0.00 1.28 0.00 0.00 41.25 40.18 2pcf s ASN 31 CO 0.19 0.04 -0.13 -3.20 -2.04 0.00 0.00 177.10 171.96 2pcf n ASN 32 N 4.17 0.79 -4.13 3.54 5.15 -0.65 -3.16 115.26 120.98 2pcf n ASN 32 Ca -0.13 0.13 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 2pcf n ASN 32 Cb 0.52 -0.56 -0.13 0.00 -0.53 0.00 0.00 39.78 39.08 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 -2.87 1.05 0.00 5.20 0.00 -1.26 -4.67 121.76 119.22 2pcf s ALA 33 Ca -0.11 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2pcf s ALA 33 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2pcf s ALA 33 CO 0.17 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2pcf n GLY 34 N 1.76 0.92 3.63 0.00 0.00 -1.26 -4.18 105.19 106.07 2pcf n GLY 34 Ca -0.19 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 1.80 0.50 1.61 -0.12 -1.26 -4.57 117.98 113.94 2pcf s PHE 35 Ca 0.00 1.40 -0.17 0.00 -0.05 0.00 0.00 56.93 58.10 2pcf s PHE 35 Cb 0.00 -3.19 -0.09 0.00 -0.63 0.00 0.00 43.02 39.11 2pcf s PHE 35 CO 0.00 -2.98 0.98 -1.25 -0.05 0.00 0.00 175.22 171.91 2pcf s PRO 36 N -4.70 4.01 -0.27 1.99 0.04 -1.25 -5.02 135.00 129.80 2pcf s PRO 36 Ca 0.66 0.99 0.09 0.00 0.04 0.00 0.00 61.00 62.77 2pcf s PRO 36 Cb -0.22 -2.15 0.45 0.00 0.04 0.00 0.00 34.50 32.63 2pcf s PRO 36 CO 0.60 -0.22 1.19 0.72 0.04 0.00 0.00 177.00 179.33 2pcf n HIS 37 N -1.39 2.12 -1.92 0.56 8.25 -0.89 -4.65 115.22 117.30 2pcf n HIS 37 Ca 0.07 -2.06 -0.42 0.00 -0.26 0.00 0.00 57.72 55.05 2pcf n HIS 37 Cb 0.54 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 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 -3.52 6.61 0.13 0.41 4.22 -1.26 -4.86 114.94 116.66 2pcf s ASN 38 Ca 0.47 2.39 -0.07 0.00 -2.14 0.00 0.00 52.86 53.52 2pcf s ASN 38 Cb 0.40 -2.54 -0.06 0.00 1.28 0.00 0.00 41.25 40.33 2pcf s ASN 38 CO 0.01 -0.93 0.39 0.68 -2.04 0.00 0.00 177.10 175.21 2pcf s VAL 39 N 3.66 5.13 -0.11 3.54 -7.23 -1.26 -1.83 120.40 122.30 2pcf s VAL 39 Ca 0.76 0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 61.10 2pcf s VAL 39 Cb -0.37 -3.63 0.04 0.00 0.56 0.00 0.00 36.38 32.98 2pcf s VAL 39 CO 0.33 0.11 0.00 0.68 -0.31 0.00 0.00 175.10 175.91 2pcf s VAL 40 N -1.59 0.47 0.21 1.32 -7.23 -1.03 -3.19 120.40 109.36 2pcf s VAL 40 Ca 0.39 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 60.17 2pcf s VAL 40 Cb -0.13 -0.70 -0.10 0.00 0.56 0.00 0.00 36.38 36.02 2pcf s VAL 40 CO 0.22 0.15 1.44 -0.36 -0.31 0.00 0.00 175.10 176.24 2pcf s PHE 41 N 1.92 3.10 0.32 2.82 0.40 -1.26 -3.52 117.98 121.77 2pcf s PHE 41 Ca 0.04 0.97 0.00 0.00 -0.60 0.00 0.00 56.93 57.34 2pcf s PHE 41 Cb -0.13 -3.78 -0.03 0.00 0.51 0.00 0.00 43.02 39.58 2pcf s PHE 41 CO -0.06 -2.64 0.52 0.34 0.70 0.00 0.00 175.22 174.07 2pcf s ASP 42 N 0.61 6.31 -0.33 1.36 -1.08 -1.19 -4.77 116.67 117.59 2pcf s ASP 42 Ca 0.62 0.43 0.09 0.00 -0.52 0.00 0.00 52.55 53.17 2pcf s ASP 42 Cb -0.41 -2.02 0.74 0.00 -1.46 0.00 0.00 42.92 39.78 2pcf s ASP 42 CO 0.38 -0.25 1.82 1.21 0.52 0.00 0.00 175.17 178.85 2pcf n GLU 43 N -1.60 3.62 -0.01 4.34 4.07 -1.26 -4.19 120.64 125.62 2pcf n GLU 43 Ca -0.05 -3.10 0.10 0.00 -0.06 0.00 0.00 57.16 54.06 2pcf n GLU 43 Cb 0.56 -2.21 -0.15 0.00 -0.06 0.00 0.00 31.44 29.58 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 -0.24 0.48 -0.89 4.31 8.00 -1.26 -4.42 116.55 122.52 2pcf n ASP 44 Ca 0.42 -0.32 0.05 0.00 0.71 0.00 0.00 54.79 55.65 2pcf n ASP 44 Cb 1.41 1.64 0.09 0.00 -0.02 0.00 0.00 41.12 44.24 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 -1.98 0.64 -3.45 -1.24 1.02 -1.26 -5.06 120.64 109.32 2pcf n GLU 45 Ca -0.01 -2.31 -0.37 0.00 -0.02 0.00 0.00 57.16 54.44 2pcf n GLU 45 Cb 0.47 -0.76 -0.06 0.00 -0.02 0.00 0.00 31.44 31.07 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 -1.35 4.96 -0.04 -3.67 1.01 -1.26 -4.31 121.20 116.54 2pcf s ILE 46 Ca 0.30 0.82 -0.05 0.00 0.00 0.00 0.00 60.65 61.71 2pcf s ILE 46 Cb 0.31 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 2pcf s ILE 46 CO -0.09 0.44 0.29 1.55 0.00 0.00 0.00 174.94 177.13 2pcf h PRO 47 N 4.21 -0.17 0.00 2.79 0.13 -1.93 -3.47 132.00 133.55 2pcf h PRO 47 Ca -0.50 0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.33 2pcf h PRO 47 Cb 1.21 0.04 0.10 0.00 0.13 0.00 0.00 31.00 32.48 2pcf h PRO 47 CO 0.64 -0.12 0.22 0.45 -0.23 0.00 0.00 178.00 178.96 2pcf n SER 48 N -3.81 0.36 0.00 1.44 2.88 -1.26 -5.08 113.62 108.15 2pcf n SER 48 Ca -0.02 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.03 2pcf n SER 48 Cb 0.07 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 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 -0.86 1.22 1.37 0.46 0.00 -1.26 -5.04 105.19 101.08 2pcf n GLY 49 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.73 -2.96 1.61 3.14 -1.26 -4.92 118.33 112.22 2pcf n VAL 50 Ca 0.00 1.09 -0.25 0.00 -2.96 0.00 0.00 64.34 62.22 2pcf n VAL 50 Cb 0.00 -1.74 0.00 0.00 -1.06 0.00 0.00 33.84 31.04 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 -6.10 6.11 0.32 6.55 2.15 -1.26 -4.99 116.67 119.44 2pcf s ASP 51 Ca 0.00 0.58 0.20 0.00 0.43 0.00 0.00 52.55 53.76 2pcf s ASP 51 Cb 0.00 -1.94 0.16 0.00 -0.30 0.00 0.00 42.92 40.84 2pcf s ASP 51 CO 0.00 -0.55 1.42 0.00 -0.17 0.00 0.00 175.17 175.86 2pcf h ALA 52 N 0.42 0.80 0.00 3.66 0.00 -1.91 -3.19 119.26 119.03 2pcf h ALA 52 Ca -0.48 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2pcf h ALA 52 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2pcf h ALA 52 CO 0.60 0.29 0.00 0.00 0.00 0.00 0.00 179.25 180.14 2pcf n ALA 53 N -2.18 1.71 0.02 0.00 0.00 -1.26 -0.30 120.51 118.51 2pcf n ALA 53 Ca 0.02 0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 2pcf n ALA 53 Cb 0.63 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 2pcf n ALA 53 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2pcf h LYS 54 N 0.00 0.00 -0.17 0.00 1.63 -1.96 -3.34 116.57 112.72 2pcf h LYS 54 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2pcf h LYS 54 Cb 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2pcf h LYS 54 CO 0.00 0.73 0.00 0.44 -3.45 0.00 0.00 179.45 177.17 2pcf n ILE 55 N -3.19 0.82 -4.13 2.00 -5.35 -1.04 -5.02 119.36 103.45 2pcf n ILE 55 Ca -0.08 -0.91 -0.26 0.00 -0.27 0.00 0.00 62.75 61.23 2pcf n ILE 55 Cb 0.99 0.61 -0.06 0.00 -1.74 0.00 0.00 39.64 39.45 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 -0.92 4.46 0.40 7.28 0.01 0.59 -4.06 113.70 121.47 2pcf s SER 56 Ca 0.13 -1.17 -0.01 0.00 1.31 0.00 0.00 55.95 56.20 2pcf s SER 56 Cb 0.07 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 2pcf s SER 56 CO 0.09 -0.71 0.63 -0.04 0.41 0.00 0.00 173.24 173.62 2pcf s MET 57 N -3.99 3.41 0.00 12.44 -1.94 -1.19 -4.86 119.30 123.16 2pcf s MET 57 Ca 0.35 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 2pcf s MET 57 Cb 0.02 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.28 2pcf s MET 57 CO 0.20 -0.02 0.00 0.45 -0.01 0.00 0.00 175.02 175.64 2pcf n SER 58 N -1.96 0.00 0.03 3.03 2.88 -1.26 -4.97 113.62 111.37 2pcf n SER 58 Ca -0.02 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 2pcf n SER 58 Cb 0.56 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 2pcf n SER 58 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2pcf n GLU 59 N -0.74 0.62 0.05 -1.46 0.00 -1.26 -4.08 120.64 113.78 2pcf n GLU 59 Ca 0.00 0.20 -0.08 0.00 0.00 0.00 0.00 57.16 57.28 2pcf n GLU 59 Cb 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 31.44 29.53 2pcf n GLU 59 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2pcf h GLU 60 N 0.00 0.02 -4.38 3.44 3.07 -2.05 -3.40 114.58 111.27 2pcf h GLU 60 Ca -0.17 -0.03 -0.74 0.00 -0.50 0.00 0.00 59.36 57.91 2pcf h GLU 60 Cb 1.59 0.01 -0.22 0.00 -0.84 0.00 0.00 28.75 29.29 2pcf h GLU 60 CO 0.04 0.92 0.26 -0.51 -1.40 0.00 0.00 179.01 178.32 2pcf s ASP 61 N -6.62 6.52 0.01 1.42 1.11 -1.26 -5.02 116.67 112.83 2pcf s ASP 61 Ca -0.01 -2.11 0.07 0.00 0.18 0.00 0.00 52.55 50.68 2pcf s ASP 61 Cb 0.09 -2.28 -0.03 0.00 1.07 0.00 0.00 42.92 41.77 2pcf s ASP 61 CO 0.82 -0.87 -0.20 -0.76 1.18 0.00 0.00 175.17 175.35 2pcf s LEU 62 N 1.60 2.48 -1.20 1.23 1.43 -1.26 -4.29 118.68 118.66 2pcf s LEU 62 Ca 0.18 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 2pcf s LEU 62 Cb -0.14 -1.46 0.17 0.00 0.03 0.00 0.00 46.19 44.78 2pcf s LEU 62 CO -0.04 0.29 1.44 -0.76 0.23 0.00 0.00 176.35 177.50 2pcf s LEU 63 N -1.13 5.00 -0.05 1.79 1.02 -1.26 -4.67 118.68 119.39 2pcf s LEU 63 Ca 0.13 -2.94 0.21 0.00 0.02 0.00 0.00 54.13 51.55 2pcf s LEU 63 Cb -0.10 -2.41 -0.33 0.00 0.02 0.00 0.00 46.19 43.37 2pcf s LEU 63 CO 0.03 -0.77 0.43 -3.20 0.02 0.00 0.00 176.35 172.85 2pcf n ASN 64 N 5.79 0.02 -4.83 2.29 5.15 -1.26 -2.10 115.26 120.31 2pcf n ASN 64 Ca 0.37 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.99 2pcf n ASN 64 Cb 0.43 1.88 -0.06 0.00 -0.53 0.00 0.00 39.78 41.50 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 -3.39 3.51 -1.23 5.20 0.00 -1.26 -4.77 121.76 119.83 2pcf s ALA 65 Ca -0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.66 2pcf s ALA 65 Cb 0.13 -2.64 0.03 0.00 0.00 0.00 0.00 23.12 20.64 2pcf s ALA 65 CO 0.90 0.41 1.75 -1.25 0.00 0.00 0.00 175.76 177.57 2pcf s PRO 66 N -1.97 3.57 0.00 0.00 0.04 -1.26 -3.12 135.00 132.26 2pcf s PRO 66 Ca 0.40 -1.66 0.00 0.00 0.04 0.00 0.00 61.00 59.78 2pcf s PRO 66 Cb -0.16 -5.44 0.00 0.00 0.04 0.00 0.00 34.50 28.95 2pcf s PRO 66 CO 0.20 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 174.98 2pcf n GLY 67 N 5.72 0.26 3.76 0.56 0.00 -1.19 -4.98 105.19 109.33 2pcf n GLY 67 Ca 0.46 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 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 3.24 0.02 1.61 2.56 -1.18 -4.85 118.70 120.11 2pcf s GLU 68 Ca 0.00 1.74 0.02 0.00 0.00 0.00 0.00 54.97 56.73 2pcf s GLU 68 Cb 0.00 -2.03 -0.01 0.00 2.00 0.00 0.00 34.13 34.08 2pcf s GLU 68 CO 0.00 -0.97 -0.07 0.95 -0.56 0.00 0.00 175.26 174.61 2pcf s THR 69 N -1.65 0.50 -0.35 -1.70 -4.23 -1.26 -3.23 115.64 103.71 2pcf s THR 69 Ca 0.74 -0.69 -0.07 0.00 -1.18 0.00 0.00 61.69 60.48 2pcf s THR 69 Cb -0.28 -0.50 0.04 0.00 1.34 0.00 0.00 72.50 73.10 2pcf s THR 69 CO 0.31 -0.15 0.13 -0.47 -0.54 0.00 0.00 174.62 173.91 2pcf s TYR 70 N -0.80 3.27 -0.16 3.99 5.04 -1.13 -4.85 117.35 122.71 2pcf s TYR 70 Ca -0.04 -1.41 -0.08 0.00 -2.44 0.00 0.00 57.07 53.09 2pcf s TYR 70 Cb -0.06 -2.39 -0.05 0.00 0.35 0.00 0.00 41.96 39.82 2pcf s TYR 70 CO 0.00 -0.74 0.13 0.15 -1.34 0.00 0.00 175.55 173.75 2pcf s LYS 71 N 1.41 3.85 -0.20 4.97 3.01 -1.26 -2.39 119.74 129.14 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 -3.30 0.04 0.00 -1.01 0.00 0.00 37.83 33.36 2pcf s LYS 71 CO 0.03 0.50 -0.12 0.08 0.51 0.00 0.00 175.35 176.35 2pcf s VAL 72 N -0.24 1.78 -0.63 3.17 1.01 -1.11 -4.94 120.40 119.45 2pcf s VAL 72 Ca 0.11 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 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 0.01 0.23 1.00 -0.89 0.00 0.00 0.00 175.10 175.45 2pcf s THR 73 N 1.34 4.27 -0.05 3.92 2.01 -1.26 -3.29 115.64 122.57 2pcf s THR 73 Ca -0.01 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 2pcf s THR 73 Cb -0.16 -4.66 -0.04 0.00 0.01 0.00 0.00 72.50 67.65 2pcf s THR 73 CO -0.09 -1.38 0.19 -0.76 -0.69 0.00 0.00 174.62 171.89 2pcf s LEU 74 N 4.25 4.38 0.00 4.42 1.02 -1.26 -4.98 118.68 126.51 2pcf s LEU 74 Ca 0.27 0.46 0.00 0.00 0.02 0.00 0.00 54.13 54.88 2pcf s LEU 74 Cb -0.14 -2.39 0.00 0.00 0.02 0.00 0.00 46.19 43.68 2pcf s LEU 74 CO 0.14 0.33 0.00 0.35 0.02 0.00 0.00 176.35 177.19 2pcf n THR 75 N 1.45 0.00 -2.02 5.49 -2.24 -1.26 -3.86 114.28 111.85 2pcf n THR 75 Ca -0.15 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.28 2pcf n THR 75 Cb 0.54 -0.38 0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.69 3.03 -0.25 -0.78 8.01 -1.26 -4.55 118.70 121.21 2pcf s GLU 76 Ca 0.00 1.64 -0.12 0.00 0.01 0.00 0.00 54.97 56.50 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 -1.11 0.24 0.15 0.01 0.00 0.00 175.26 174.55 2pcf s LYS 77 N -3.52 4.03 0.00 1.61 1.02 -1.26 -4.73 119.74 116.90 2pcf s LYS 77 Ca 0.73 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.56 2pcf s LYS 77 Cb -0.25 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 2pcf s LYS 77 CO 0.33 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 2pcf n GLY 78 N 4.57 -1.43 3.22 -3.33 0.00 0.83 -4.85 105.19 104.21 2pcf n GLY 78 Ca -0.13 -1.09 -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 -2.91 3.12 0.71 2.61 2.01 -1.26 -1.89 115.64 118.04 2pcf s THR 79 Ca 0.00 -1.03 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 2pcf s THR 79 Cb 0.00 -2.63 0.13 0.00 0.01 0.00 0.00 72.50 70.00 2pcf s THR 79 CO 0.00 0.11 0.98 -0.31 -0.69 0.00 0.00 174.62 174.72 2pcf s TYR 80 N 1.35 1.56 -0.35 4.92 1.51 -0.04 -4.39 117.35 121.91 2pcf s TYR 80 Ca -0.00 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2pcf s TYR 80 Cb -0.17 -2.95 0.15 0.00 -0.11 0.00 0.00 41.96 38.88 2pcf s TYR 80 CO -0.02 -1.69 0.38 0.21 -1.11 0.00 0.00 175.55 173.32 2pcf s LYS 81 N -5.12 0.56 0.20 -0.62 2.36 -1.26 -3.09 119.74 112.77 2pcf s LYS 81 Ca 0.66 -0.54 -0.01 0.00 -2.55 0.00 0.00 55.97 53.54 2pcf s LYS 81 Cb -0.05 -0.60 -0.04 0.00 -1.05 0.00 0.00 37.83 36.09 2pcf s LYS 81 CO 0.44 -1.14 0.38 -0.59 1.55 0.00 0.00 175.35 176.00 2pcf s PHE 82 N 1.80 3.48 0.05 4.03 -0.12 -0.90 -3.14 117.98 123.18 2pcf s PHE 82 Ca 0.14 0.33 -0.06 0.00 -0.05 0.00 0.00 56.93 57.29 2pcf s PHE 82 Cb -0.14 -1.84 -0.01 0.00 -0.63 0.00 0.00 43.02 40.40 2pcf s PHE 82 CO -0.13 0.39 0.12 1.52 -0.05 0.00 0.00 175.22 177.06 2pcf s TYR 83 N -1.86 0.21 -0.20 3.49 1.13 -1.23 -2.06 117.35 116.83 2pcf s TYR 83 Ca 0.38 -0.58 -0.29 0.00 -1.41 0.00 0.00 57.07 55.17 2pcf s TYR 83 Cb -0.11 -0.14 -0.03 0.00 -1.10 0.00 0.00 41.96 40.57 2pcf s TYR 83 CO 0.29 -0.43 1.71 0.00 -2.51 0.00 0.00 175.55 174.62 2pcf h SER 85 N 11.20 -0.26 0.59 0.00 0.87 -1.70 0.59 113.55 124.83 2pcf h SER 85 Ca -0.36 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2pcf h SER 85 Cb 1.17 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2pcf h SER 85 CO 0.99 -0.10 0.00 -0.81 -0.53 0.00 0.00 176.83 176.39 2pcf n PRO 86 N -5.24 0.12 -3.04 2.24 -0.04 -1.26 -4.00 135.00 123.78 2pcf n PRO 86 Ca -0.01 0.12 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 2pcf n PRO 86 Cb 0.16 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.41 -1.24 -0.10 0.54 8.25 0.03 -4.94 115.22 116.34 2pcf n HIS 87 Ca 0.07 -3.03 -0.16 0.00 -0.26 0.00 0.00 57.72 54.35 2pcf n HIS 87 Cb 0.21 0.29 -0.13 0.00 1.12 0.00 0.00 29.99 31.48 2pcf n HIS 87 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2pcf n GLN 88 N 1.21 0.67 0.00 -0.41 3.00 -0.22 -4.02 117.38 117.61 2pcf n GLN 88 Ca 0.17 0.13 0.13 0.00 -0.01 0.00 0.00 57.00 57.42 2pcf n GLN 88 Cb 0.59 -1.55 0.45 0.00 0.00 0.00 0.00 30.24 29.73 2pcf n GLN 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pcf n GLY 89 N 2.07 -1.38 0.17 1.08 0.00 -1.26 -4.13 105.19 101.74 2pcf n GLY 89 Ca -0.40 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 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 3.01 -0.53 0.00 4.61 0.00 -1.94 -3.48 119.26 120.94 2pcf h ALA 90 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2pcf h ALA 90 Cb 0.50 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2pcf h ALA 90 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.16 2pcf n GLY 91 N 0.46 -0.35 3.37 0.00 0.00 -1.26 -5.10 105.19 102.30 2pcf n GLY 91 Ca -0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 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 3.03 -0.02 1.61 0.23 -1.26 -4.87 119.30 118.03 2pcf s MET 92 Ca 0.00 -1.38 -0.10 0.00 -1.03 0.00 0.00 55.69 53.18 2pcf s MET 92 Cb 0.00 -4.25 0.01 0.00 -1.53 0.00 0.00 34.83 29.06 2pcf s MET 92 CO 0.00 -1.43 0.22 0.14 -2.03 0.00 0.00 175.02 171.92 2pcf s VAL 93 N 2.34 0.06 0.42 5.16 -7.23 -1.26 -3.18 120.40 116.71 2pcf s VAL 93 Ca 0.09 -0.50 0.04 0.00 -1.81 0.00 0.00 61.98 59.79 2pcf s VAL 93 Cb -0.25 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 2pcf s VAL 93 CO 0.06 -0.28 0.13 -0.83 -0.31 0.00 0.00 175.10 173.87 2pcf s GLY 94 N -1.13 2.69 -0.12 2.32 0.00 -0.88 -4.67 107.32 105.53 2pcf s GLY 94 Ca -0.12 -1.13 -0.10 0.00 0.00 0.00 0.00 44.72 43.36 2pcf s GLY 94 CO 0.02 -1.86 0.32 -1.59 0.00 0.00 0.00 173.10 170.00 2pcf s LYS 95 N -3.70 0.36 -0.43 2.90 -2.85 -1.16 -2.12 119.74 112.74 2pcf s LYS 95 Ca 0.22 0.47 -0.20 0.00 -1.00 0.00 0.00 55.97 55.46 2pcf s LYS 95 Cb 0.02 0.14 0.02 0.00 -2.06 0.00 0.00 37.83 35.96 2pcf s LYS 95 CO 0.14 -0.06 0.58 0.08 0.10 0.00 0.00 175.35 176.19 2pcf s VAL 96 N 0.34 4.90 -1.20 1.79 1.01 -1.18 -3.59 120.40 122.48 2pcf s VAL 96 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2pcf s VAL 96 Cb -0.03 -4.16 0.22 0.00 0.00 0.00 0.00 36.38 32.41 2pcf s VAL 96 CO -0.01 -0.55 1.84 0.41 0.00 0.00 0.00 175.10 176.79 2pcf n THR 97 N 5.73 5.02 -2.71 3.92 -1.04 -0.92 -0.86 114.28 123.42 2pcf n THR 97 Ca -0.03 -5.05 -0.40 0.00 -2.04 0.00 0.00 64.05 56.52 2pcf n THR 97 Cb 0.48 -2.13 -0.06 0.00 -1.82 0.00 0.00 70.33 66.80 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 -1.42 4.02 0.00 12.58 0.11 -0.79 -2.47 120.40 132.44 2pcf s VAL 98 Ca 0.39 2.01 0.00 0.00 -2.93 0.00 0.00 61.98 61.45 2pcf s VAL 98 Cb 0.11 -4.28 0.00 0.00 -1.53 0.00 0.00 36.38 30.68 2pcf s VAL 98 CO 0.01 0.47 0.00 -0.46 -3.33 0.00 0.00 175.10 171.78