#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 3.41 -0.25 1.45 2.02 -1.26 -3.92 118.70 120.15 2pcf s GLU 2 Ca 0.00 1.26 -0.08 0.00 0.02 0.00 0.00 54.97 56.17 2pcf s GLU 2 Cb 0.00 -4.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.05 2pcf s GLU 2 CO 0.00 -1.76 0.10 0.08 0.02 0.00 0.00 175.26 173.70 2pcf s VAL 3 N 6.41 4.58 -0.46 2.63 1.01 -1.05 -4.08 120.40 129.44 2pcf s VAL 3 Ca 0.74 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.54 2pcf s VAL 3 Cb -0.20 -3.15 0.11 0.00 0.00 0.00 0.00 36.38 33.14 2pcf s VAL 3 CO 0.33 0.32 0.32 -0.76 0.00 0.00 0.00 175.10 175.32 2pcf s LEU 4 N 1.58 5.55 0.38 3.92 1.43 -0.11 -1.41 118.68 130.03 2pcf s LEU 4 Ca 0.06 -1.80 -0.27 0.00 -1.03 0.00 0.00 54.13 51.09 2pcf s LEU 4 Cb -0.15 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.96 2pcf s LEU 4 CO 0.05 -0.65 1.36 -0.76 0.23 0.00 0.00 176.35 176.58 2pcf s LEU 5 N 1.38 4.30 0.02 1.79 1.02 0.15 -3.84 118.68 123.51 2pcf s LEU 5 Ca 0.05 2.78 0.00 0.00 0.02 0.00 0.00 54.13 56.98 2pcf s LEU 5 Cb -0.25 -3.77 0.00 0.00 0.02 0.00 0.00 46.19 42.19 2pcf s LEU 5 CO 0.00 -0.79 0.00 0.61 0.02 0.00 0.00 176.35 176.19 2pcf n GLY 6 N 0.65 -3.11 0.00 -3.19 0.00 -1.22 -1.79 105.19 96.52 2pcf n GLY 6 Ca 0.02 -1.12 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 -0.91 1.33 0.00 -0.02 0.00 -0.20 -4.65 105.19 100.75 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 -0.40 0.27 -0.02 0.00 -1.26 -4.67 105.19 104.11 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 -0.13 0.00 0.00 1.61 5.75 -1.26 -5.03 116.55 117.49 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 0.31 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 5.85 -0.70 1.61 0.15 -1.26 -4.89 113.70 114.46 2pcf s SER 11 Ca 0.00 -2.07 -0.27 0.00 0.70 0.00 0.00 55.95 54.31 2pcf s SER 11 Cb 0.00 -2.05 0.02 0.00 -1.71 0.00 0.00 66.02 62.29 2pcf s SER 11 CO 0.00 -0.67 1.33 -0.76 1.20 0.00 0.00 173.24 174.34 2pcf s LEU 12 N 1.13 3.22 -0.29 3.45 1.43 -1.26 -1.03 118.68 125.34 2pcf s LEU 12 Ca 0.08 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2pcf s LEU 12 Cb -0.24 -2.67 0.14 0.00 0.03 0.00 0.00 46.19 43.45 2pcf s LEU 12 CO -0.01 -1.84 1.05 0.00 0.23 0.00 0.00 176.35 175.78 2pcf s ALA 13 N 5.98 -2.11 0.08 4.21 0.00 -1.26 -4.09 121.76 124.57 2pcf s ALA 13 Ca 0.40 1.98 -0.31 0.00 0.00 0.00 0.00 51.96 54.03 2pcf s ALA 13 Cb -0.09 -1.58 -0.08 0.00 0.00 0.00 0.00 23.12 21.38 2pcf s ALA 13 CO 0.18 -0.26 1.58 -0.06 0.00 0.00 0.00 175.76 177.19 2pcf s PHE 14 N 0.63 2.68 -0.29 0.00 0.40 -1.26 -3.76 117.98 116.38 2pcf s PHE 14 Ca -0.01 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.84 2pcf s PHE 14 Cb -0.04 -3.89 0.09 0.00 0.51 0.00 0.00 43.02 39.68 2pcf s PHE 14 CO -0.10 -3.44 0.04 -0.51 0.70 0.00 0.00 175.22 171.90 2pcf s LEU 15 N 2.17 3.03 0.80 -0.37 1.02 -1.25 -0.94 118.68 123.14 2pcf s LEU 15 Ca 0.71 -1.63 -0.12 0.00 0.02 0.00 0.00 54.13 53.11 2pcf s LEU 15 Cb -0.39 -1.16 0.08 0.00 0.02 0.00 0.00 46.19 44.73 2pcf s LEU 15 CO 0.31 -0.35 1.17 -2.16 0.02 0.00 0.00 176.35 175.34 2pcf s PRO 16 N 1.36 2.02 -0.05 1.29 0.04 -1.26 -0.93 135.00 137.47 2pcf s PRO 16 Ca 0.05 0.16 0.17 0.00 0.04 0.00 0.00 61.00 61.43 2pcf s PRO 16 Cb -0.18 -1.95 0.57 0.00 0.04 0.00 0.00 34.50 32.97 2pcf s PRO 16 CO -0.14 -1.56 1.48 0.41 0.04 0.00 0.00 177.00 177.22 2pcf n GLY 17 N -3.22 2.79 3.15 0.56 0.00 -0.12 -4.83 105.19 103.51 2pcf n GLY 17 Ca 0.08 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.05 -0.98 0.31 1.61 2.15 -1.26 -2.94 116.67 114.51 2pcf s ASP 18 Ca 0.42 0.38 0.05 0.00 0.43 0.00 0.00 52.55 53.83 2pcf s ASP 18 Cb 0.25 1.72 -0.06 0.00 -0.30 0.00 0.00 42.92 44.53 2pcf s ASP 18 CO 0.24 -0.18 0.01 0.72 -0.17 0.00 0.00 175.17 175.78 2pcf s PHE 19 N 2.90 1.97 -0.11 -5.34 -0.12 -1.24 -5.01 117.98 111.03 2pcf s PHE 19 Ca 0.13 -0.83 0.03 0.00 -0.05 0.00 0.00 56.93 56.21 2pcf s PHE 19 Cb -0.10 -1.23 0.00 0.00 -0.63 0.00 0.00 43.02 41.06 2pcf s PHE 19 CO -0.20 0.14 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.77 2pcf s SER 20 N -3.47 3.03 0.05 1.98 0.01 -1.26 -2.15 113.70 111.88 2pcf s SER 20 Ca 0.33 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2pcf s SER 20 Cb 0.07 -1.39 -0.00 0.00 0.21 0.00 0.00 66.02 64.91 2pcf s SER 20 CO 0.14 0.13 0.02 1.33 0.41 0.00 0.00 173.24 175.26 2pcf n VAL 21 N 3.71 0.00 -4.33 3.43 0.24 -1.03 -4.94 118.33 115.41 2pcf n VAL 21 Ca -0.19 -0.26 -0.21 0.00 -2.04 0.00 0.00 64.34 61.63 2pcf n VAL 21 Cb 0.52 0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.91 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 -2.12 2.09 -0.41 2.33 0.00 -1.26 -1.66 121.76 120.72 2pcf s ALA 22 Ca 0.02 -1.91 -0.28 0.00 0.00 0.00 0.00 51.96 49.79 2pcf s ALA 22 Cb 0.00 1.35 -0.00 0.00 0.00 0.00 0.00 23.12 24.47 2pcf s ALA 22 CO 0.02 -0.60 1.59 0.45 0.00 0.00 0.00 175.76 177.21 2pcf s SER 23 N -3.42 6.08 0.00 0.00 0.15 -1.26 -2.55 113.70 112.69 2pcf s SER 23 Ca 0.37 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.94 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 0.25 -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 -5.03 105.19 119.01 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 1.82 -0.05 1.61 0.41 -1.06 -5.07 118.70 116.37 2pcf s GLU 25 Ca 0.00 -0.10 0.03 0.00 -0.41 0.00 0.00 54.97 54.49 2pcf s GLU 25 Cb 0.00 -2.01 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 2pcf s GLU 25 CO 0.00 -1.62 -0.14 -1.21 -0.49 0.00 0.00 175.26 171.81 2pcf s GLU 26 N -5.52 1.59 0.10 1.61 2.02 -1.26 -4.42 118.70 112.82 2pcf s GLU 26 Ca 0.63 -0.47 -0.08 0.00 0.02 0.00 0.00 54.97 55.07 2pcf s GLU 26 Cb -0.10 -1.37 -0.06 0.00 0.10 0.00 0.00 34.13 32.71 2pcf s GLU 26 CO 0.48 0.13 0.40 0.42 0.02 0.00 0.00 175.26 176.71 2pcf s ILE 27 N 0.31 5.11 0.04 -1.63 1.09 -1.20 -4.92 121.20 119.99 2pcf s ILE 27 Ca -0.08 0.34 0.05 0.00 -1.10 0.00 0.00 60.65 59.86 2pcf s ILE 27 Cb -0.13 -3.63 -0.02 0.00 -1.06 0.00 0.00 42.46 37.62 2pcf s ILE 27 CO 0.02 0.21 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.24 2pcf s VAL 28 N -1.48 1.16 -0.49 2.92 1.01 -1.25 -2.65 120.40 119.61 2pcf s VAL 28 Ca 0.36 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2pcf s VAL 28 Cb -0.13 -1.04 0.16 0.00 0.00 0.00 0.00 36.38 35.37 2pcf s VAL 28 CO 0.20 0.03 0.36 -0.36 0.00 0.00 0.00 175.10 175.33 2pcf s PHE 29 N -0.83 1.88 -0.10 5.22 0.08 -0.98 -2.54 117.98 120.70 2pcf s PHE 29 Ca 0.02 -2.58 -0.26 0.00 0.12 0.00 0.00 56.93 54.23 2pcf s PHE 29 Cb -0.08 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 2pcf s PHE 29 CO 0.01 -0.74 0.86 0.15 -0.10 0.00 0.00 175.22 175.40 2pcf s LYS 30 N -0.26 4.40 -0.21 0.44 1.02 -0.50 -2.67 119.74 121.96 2pcf s LYS 30 Ca 0.28 1.12 -0.11 0.00 0.02 0.00 0.00 55.97 57.28 2pcf s LYS 30 Cb -0.04 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 2pcf s LYS 30 CO -0.15 -0.18 0.19 0.54 -0.92 0.00 0.00 175.35 174.83 2pcf s ASN 31 N 1.04 6.23 -0.05 2.83 4.22 -1.20 0.34 114.94 128.35 2pcf s ASN 31 Ca 0.42 0.26 -0.06 0.00 -2.14 0.00 0.00 52.86 51.34 2pcf s ASN 31 Cb -0.18 -2.12 -0.02 0.00 1.28 0.00 0.00 41.25 40.21 2pcf s ASN 31 CO 0.17 0.10 -0.11 -3.20 -2.04 0.00 0.00 177.10 172.02 2pcf n ASN 32 N 3.89 0.75 -4.14 3.54 5.15 -0.74 -3.25 115.26 120.46 2pcf n ASN 32 Ca -0.14 0.12 -0.21 0.00 -0.60 0.00 0.00 54.58 53.75 2pcf n ASN 32 Cb 0.52 -0.50 -0.14 0.00 -0.53 0.00 0.00 39.78 39.13 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 -2.74 1.18 0.00 5.20 0.00 -1.26 -4.68 121.76 119.47 2pcf s ALA 33 Ca -0.09 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2pcf s ALA 33 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2pcf s ALA 33 CO 0.14 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.55 2pcf n GLY 34 N 2.13 1.14 3.68 0.00 0.00 -1.26 -4.18 105.19 106.71 2pcf n GLY 34 Ca -0.17 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 2.08 0.46 1.61 -0.12 -1.26 -4.53 117.98 114.22 2pcf s PHE 35 Ca 0.00 1.39 -0.18 0.00 -0.05 0.00 0.00 56.93 58.09 2pcf s PHE 35 Cb 0.00 -3.17 -0.09 0.00 -0.63 0.00 0.00 43.02 39.13 2pcf s PHE 35 CO 0.00 -2.60 0.95 -1.25 -0.05 0.00 0.00 175.22 172.27 2pcf s PRO 36 N -4.81 4.08 -0.33 1.99 0.04 -1.25 -5.00 135.00 129.72 2pcf s PRO 36 Ca 0.64 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.76 2pcf s PRO 36 Cb -0.20 -2.18 0.46 0.00 0.04 0.00 0.00 34.50 32.62 2pcf s PRO 36 CO 0.58 -0.13 1.26 0.72 0.04 0.00 0.00 177.00 179.47 2pcf n HIS 37 N -1.07 2.81 -1.94 0.56 8.25 -0.97 -4.69 115.22 118.17 2pcf n HIS 37 Ca 0.07 -2.32 -0.42 0.00 -0.26 0.00 0.00 57.72 54.78 2pcf n HIS 37 Cb 0.54 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 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 -3.44 6.63 0.11 0.41 4.22 -1.26 -4.88 114.94 116.72 2pcf s ASN 38 Ca 0.52 2.33 -0.05 0.00 -2.14 0.00 0.00 52.86 53.52 2pcf s ASN 38 Cb 0.42 -2.53 -0.05 0.00 1.28 0.00 0.00 41.25 40.36 2pcf s ASN 38 CO 0.03 -0.95 0.34 0.68 -2.04 0.00 0.00 177.10 175.16 2pcf s VAL 39 N 4.03 5.21 -0.08 3.54 -7.23 -1.26 -1.98 120.40 122.63 2pcf s VAL 39 Ca 0.76 0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.94 2pcf s VAL 39 Cb -0.35 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.00 2pcf s VAL 39 CO 0.32 0.12 -0.01 0.68 -0.31 0.00 0.00 175.10 175.90 2pcf s VAL 40 N -1.56 0.45 0.17 1.32 -7.23 -1.07 -3.24 120.40 109.24 2pcf s VAL 40 Ca 0.37 0.06 -0.31 0.00 -1.81 0.00 0.00 61.98 60.30 2pcf s VAL 40 Cb -0.13 -0.60 -0.09 0.00 0.56 0.00 0.00 36.38 36.12 2pcf s VAL 40 CO 0.23 0.26 1.41 -0.36 -0.31 0.00 0.00 175.10 176.33 2pcf s PHE 41 N 1.94 3.18 0.32 2.82 0.40 -1.23 -3.41 117.98 122.00 2pcf s PHE 41 Ca 0.05 0.98 -0.01 0.00 -0.60 0.00 0.00 56.93 57.34 2pcf s PHE 41 Cb -0.12 -3.73 -0.04 0.00 0.51 0.00 0.00 43.02 39.64 2pcf s PHE 41 CO -0.06 -2.48 0.54 0.34 0.70 0.00 0.00 175.22 174.26 2pcf s ASP 42 N 0.80 6.34 -0.19 1.36 -1.08 -1.10 -4.77 116.67 118.04 2pcf s ASP 42 Ca 0.63 0.53 0.16 0.00 -0.52 0.00 0.00 52.55 53.35 2pcf s ASP 42 Cb -0.39 -2.07 0.78 0.00 -1.46 0.00 0.00 42.92 39.78 2pcf s ASP 42 CO 0.35 -0.26 1.70 1.21 0.52 0.00 0.00 175.17 178.69 2pcf n GLU 43 N -1.47 4.39 0.06 4.34 4.07 -1.26 -4.19 120.64 126.58 2pcf n GLU 43 Ca -0.04 -3.05 0.11 0.00 -0.06 0.00 0.00 57.16 54.12 2pcf n GLU 43 Cb 0.55 -2.11 0.00 0.00 -0.06 0.00 0.00 31.44 29.83 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 0.80 0.65 -0.78 4.31 9.92 -1.26 -4.22 116.55 125.97 2pcf n ASP 44 Ca 0.27 0.12 0.05 0.00 -0.53 0.00 0.00 54.79 54.70 2pcf n ASP 44 Cb 1.07 0.72 0.09 0.00 -0.64 0.00 0.00 41.12 42.37 2pcf n ASP 44 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2pcf n GLU 45 N -2.37 0.69 -3.39 -1.24 1.02 -1.26 -5.06 120.64 109.03 2pcf n GLU 45 Ca 0.00 -2.28 -0.37 0.00 -0.02 0.00 0.00 57.16 54.49 2pcf n GLU 45 Cb 0.51 -0.84 -0.06 0.00 -0.02 0.00 0.00 31.44 31.04 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 -1.45 4.89 -0.03 -3.67 1.01 -1.26 -4.29 121.20 116.40 2pcf s ILE 46 Ca 0.28 0.89 -0.03 0.00 0.00 0.00 0.00 60.65 61.79 2pcf s ILE 46 Cb 0.29 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2pcf s ILE 46 CO -0.07 0.40 0.25 1.55 0.00 0.00 0.00 174.94 177.07 2pcf h PRO 47 N 4.06 -0.12 0.00 2.79 0.13 -1.93 -3.47 132.00 133.47 2pcf h PRO 47 Ca -0.50 0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 2pcf h PRO 47 Cb 1.20 0.03 0.13 0.00 0.13 0.00 0.00 31.00 32.49 2pcf h PRO 47 CO 0.64 -0.08 0.29 0.45 -0.23 0.00 0.00 178.00 179.08 2pcf n SER 48 N -3.31 0.22 0.00 1.44 2.88 -1.26 -5.08 113.62 108.51 2pcf n SER 48 Ca -0.02 -1.45 0.00 0.00 -1.33 0.00 0.00 58.87 56.07 2pcf n SER 48 Cb 0.05 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 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 -1.64 1.28 1.35 0.46 0.00 -1.26 -5.04 105.19 100.33 2pcf n GLY 49 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.56 -3.16 1.61 3.14 -1.26 -4.92 118.33 112.18 2pcf n VAL 50 Ca 0.00 1.05 -0.24 0.00 -2.96 0.00 0.00 64.34 62.18 2pcf n VAL 50 Cb 0.00 -1.66 -0.01 0.00 -1.06 0.00 0.00 33.84 31.12 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 -6.24 6.20 0.30 6.55 2.15 -1.26 -5.00 116.67 119.37 2pcf s ASP 51 Ca 0.00 0.52 0.16 0.00 0.43 0.00 0.00 52.55 53.66 2pcf s ASP 51 Cb 0.00 -1.99 0.10 0.00 -0.30 0.00 0.00 42.92 40.73 2pcf s ASP 51 CO 0.00 -0.43 1.44 0.00 -0.17 0.00 0.00 175.17 176.02 2pcf h ALA 52 N 0.58 0.72 0.00 3.66 0.00 -1.91 -3.18 119.26 119.13 2pcf h ALA 52 Ca -0.49 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2pcf h ALA 52 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2pcf h ALA 52 CO 0.61 0.52 0.00 0.00 0.00 0.00 0.00 179.25 180.38 2pcf h ALA 53 N 1.59 1.00 0.02 0.00 0.00 -1.89 0.96 119.26 120.94 2pcf h ALA 53 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2pcf h ALA 53 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2pcf h ALA 53 CO 0.05 0.00 -1.08 -0.22 0.00 0.00 0.00 179.25 178.00 2pcf h LYS 54 N 0.00 0.05 -0.10 0.00 1.63 -1.96 -3.32 116.57 112.87 2pcf h LYS 54 Ca 0.00 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 2pcf h LYS 54 Cb 0.30 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2pcf h LYS 54 CO 0.00 1.01 -0.11 0.44 -3.45 0.00 0.00 179.45 177.34 2pcf n ILE 55 N -3.37 2.13 -4.48 2.00 -5.35 -0.88 -5.02 119.36 104.39 2pcf n ILE 55 Ca -0.02 -2.45 -0.23 0.00 -0.27 0.00 0.00 62.75 59.78 2pcf n ILE 55 Cb 0.96 -0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 38.50 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 -2.71 2.54 0.35 7.28 0.01 0.28 -3.55 113.70 117.91 2pcf s SER 56 Ca 0.37 -1.42 0.03 0.00 1.31 0.00 0.00 55.95 56.24 2pcf s SER 56 Cb 0.33 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 2pcf s SER 56 CO 0.02 -0.65 0.52 -0.04 0.41 0.00 0.00 173.24 173.50 2pcf s MET 57 N -3.86 3.24 0.07 12.44 -1.94 -1.20 -4.87 119.30 123.18 2pcf s MET 57 Ca 0.34 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.67 2pcf s MET 57 Cb 0.08 -2.72 0.01 0.00 2.01 0.00 0.00 34.83 34.21 2pcf s MET 57 CO 0.15 0.05 0.09 0.45 -0.01 0.00 0.00 175.02 175.75 2pcf n SER 58 N -1.76 0.45 0.10 3.03 2.88 -1.26 -4.96 113.62 112.10 2pcf n SER 58 Ca -0.02 -1.20 0.03 0.00 -1.33 0.00 0.00 58.87 56.34 2pcf n SER 58 Cb 0.57 -0.04 -0.01 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.06 -1.46 9.09 -2.04 -3.32 114.58 116.91 2pcf h GLU 59 Ca -0.04 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.12 2pcf h GLU 59 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.24 2pcf h GLU 59 CO 0.05 0.37 -1.26 0.93 0.05 0.00 0.00 179.01 179.15 2pcf h GLU 60 N 0.00 0.12 -4.37 1.06 3.07 -2.05 -3.40 114.58 109.00 2pcf h GLU 60 Ca -0.06 -0.20 -0.74 0.00 -0.50 0.00 0.00 59.36 57.85 2pcf h GLU 60 Cb 1.42 0.08 -0.22 0.00 -0.84 0.00 0.00 28.75 29.18 2pcf h GLU 60 CO 0.05 1.01 0.43 -0.51 -1.40 0.00 0.00 179.01 178.60 2pcf s ASP 61 N -6.79 6.70 0.06 1.42 1.11 -1.25 -5.01 116.67 112.90 2pcf s ASP 61 Ca -0.03 -2.40 0.07 0.00 0.18 0.00 0.00 52.55 50.37 2pcf s ASP 61 Cb 0.08 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 2pcf s ASP 61 CO 0.84 -0.79 -0.17 -0.76 1.18 0.00 0.00 175.17 175.47 2pcf s LEU 62 N 1.30 2.67 -1.19 1.23 1.43 -1.26 -4.22 118.68 118.64 2pcf s LEU 62 Ca 0.25 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2pcf s LEU 62 Cb -0.08 -1.55 0.21 0.00 0.03 0.00 0.00 46.19 44.81 2pcf s LEU 62 CO -0.09 0.24 1.49 0.18 0.23 0.00 0.00 176.35 178.40 2pcf n LEU 63 N 1.36 5.83 -0.79 1.79 4.32 -1.26 -4.69 117.00 123.56 2pcf n LEU 63 Ca -0.16 -4.74 0.12 0.00 -0.02 0.00 0.00 56.01 51.21 2pcf n LEU 63 Cb 0.52 -1.50 0.16 0.00 -1.62 0.00 0.00 43.42 40.98 2pcf n LEU 63 CO 0.27 1.17 0.63 -3.20 -1.22 0.00 0.00 177.39 175.04 2pcf n ASN 64 N 3.92 2.56 -4.70 -1.43 5.15 -1.26 -2.29 115.26 117.22 2pcf n ASN 64 Ca 0.33 -1.82 -0.33 0.00 -0.60 0.00 0.00 54.58 52.17 2pcf n ASN 64 Cb 0.39 0.07 -0.09 0.00 -0.53 0.00 0.00 39.78 39.62 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 -2.08 3.32 -1.14 5.20 0.00 -1.26 -4.80 121.76 121.00 2pcf s ALA 65 Ca 0.28 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 2pcf s ALA 65 Cb 0.20 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.95 2pcf s ALA 65 CO 0.35 0.64 1.69 -1.25 0.00 0.00 0.00 175.76 177.19 2pcf s PRO 66 N -1.44 3.48 0.00 0.00 0.04 -1.26 -3.12 135.00 132.70 2pcf s PRO 66 Ca 0.19 -1.38 0.00 0.00 0.04 0.00 0.00 61.00 59.85 2pcf s PRO 66 Cb -0.12 -5.38 0.00 0.00 0.04 0.00 0.00 34.50 29.04 2pcf s PRO 66 CO 0.09 -2.61 0.00 0.41 0.04 0.00 0.00 177.00 174.93 2pcf n GLY 67 N 6.15 0.41 3.77 0.56 0.00 -1.20 -5.00 105.19 109.88 2pcf n GLY 67 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 3.34 0.02 1.61 2.56 -1.18 -4.87 118.70 120.18 2pcf s GLU 68 Ca 0.00 1.65 0.02 0.00 0.00 0.00 0.00 54.97 56.64 2pcf s GLU 68 Cb 0.00 -2.03 -0.01 0.00 2.00 0.00 0.00 34.13 34.09 2pcf s GLU 68 CO 0.00 -0.87 -0.06 0.95 -0.56 0.00 0.00 175.26 174.73 2pcf s THR 69 N -1.73 0.42 -0.35 -1.70 -4.23 -1.26 -3.27 115.64 103.52 2pcf s THR 69 Ca 0.73 -0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 2pcf s THR 69 Cb -0.25 -0.44 0.04 0.00 1.34 0.00 0.00 72.50 73.19 2pcf s THR 69 CO 0.28 -0.17 0.13 -0.47 -0.54 0.00 0.00 174.62 173.85 2pcf s TYR 70 N -0.80 3.26 -0.16 3.99 5.04 -1.09 -4.85 117.35 122.74 2pcf s TYR 70 Ca -0.05 -1.37 -0.08 0.00 -2.44 0.00 0.00 57.07 53.13 2pcf s TYR 70 Cb -0.06 -2.34 -0.04 0.00 0.35 0.00 0.00 41.96 39.86 2pcf s TYR 70 CO 0.00 -0.72 0.12 0.15 -1.34 0.00 0.00 175.55 173.75 2pcf s LYS 71 N 1.42 3.81 -0.20 4.97 3.01 -1.26 -2.31 119.74 129.19 2pcf s LYS 71 Ca -0.01 -0.22 0.01 0.00 -1.01 0.00 0.00 55.97 54.75 2pcf s LYS 71 Cb -0.20 -3.27 0.04 0.00 -1.01 0.00 0.00 37.83 33.39 2pcf s LYS 71 CO 0.03 0.50 -0.13 0.08 0.51 0.00 0.00 175.35 176.34 2pcf s VAL 72 N -0.22 1.76 -0.58 3.17 1.01 -1.08 -4.95 120.40 119.50 2pcf s VAL 72 Ca 0.10 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 2pcf s VAL 72 Cb -0.12 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.54 2pcf s VAL 72 CO 0.01 0.25 0.96 -0.89 0.00 0.00 0.00 175.10 175.43 2pcf s THR 73 N 1.36 4.35 -0.06 3.92 2.01 -1.26 -3.25 115.64 122.70 2pcf s THR 73 Ca -0.00 0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.09 2pcf s THR 73 Cb -0.16 -4.59 -0.04 0.00 0.01 0.00 0.00 72.50 67.73 2pcf s THR 73 CO -0.09 -1.23 0.13 -0.76 -0.69 0.00 0.00 174.62 171.98 2pcf s LEU 74 N 4.05 4.22 0.00 4.42 1.02 -1.26 -4.98 118.68 126.15 2pcf s LEU 74 Ca 0.29 0.35 0.00 0.00 0.02 0.00 0.00 54.13 54.78 2pcf s LEU 74 Cb -0.13 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.83 2pcf s LEU 74 CO 0.17 0.34 0.00 0.35 0.02 0.00 0.00 176.35 177.23 2pcf n THR 75 N 1.55 0.00 -1.90 5.49 -2.24 -1.26 -3.85 114.28 112.07 2pcf n THR 75 Ca -0.16 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 2pcf n THR 75 Cb 0.54 -0.31 0.04 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.67 2.90 -0.24 -0.78 8.01 -1.26 -4.55 118.70 121.10 2pcf s GLU 76 Ca 0.00 1.57 -0.11 0.00 0.01 0.00 0.00 54.97 56.44 2pcf s GLU 76 Cb 0.00 -1.95 -0.05 0.00 -4.31 0.00 0.00 34.13 27.82 2pcf s GLU 76 CO 0.00 -1.21 0.18 0.15 0.01 0.00 0.00 175.26 174.39 2pcf s LYS 77 N -3.72 4.06 0.00 1.61 1.02 -1.26 -4.72 119.74 116.73 2pcf s LYS 77 Ca 0.71 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.46 2pcf s LYS 77 Cb -0.24 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 2pcf s LYS 77 CO 0.36 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 2pcf n GLY 78 N 4.36 -1.24 3.22 -3.33 0.00 0.77 -4.83 105.19 104.14 2pcf n GLY 78 Ca -0.14 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.00 2.83 0.65 2.61 2.01 -1.26 -1.79 115.64 117.69 2pcf s THR 79 Ca 0.00 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.28 2pcf s THR 79 Cb 0.00 -2.31 0.11 0.00 0.01 0.00 0.00 72.50 70.32 2pcf s THR 79 CO 0.00 0.40 0.90 -0.31 -0.69 0.00 0.00 174.62 174.92 2pcf s TYR 80 N 1.38 1.33 -0.32 4.92 1.51 -0.01 -4.27 117.35 121.88 2pcf s TYR 80 Ca 0.04 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 2pcf s TYR 80 Cb -0.14 -2.54 0.16 0.00 -0.11 0.00 0.00 41.96 39.32 2pcf s TYR 80 CO -0.07 -1.47 0.40 0.21 -1.11 0.00 0.00 175.55 173.51 2pcf s LYS 81 N -4.90 0.48 0.12 -0.62 2.36 -1.26 -3.13 119.74 112.80 2pcf s LYS 81 Ca 0.65 -0.19 0.02 0.00 -2.55 0.00 0.00 55.97 53.90 2pcf s LYS 81 Cb -0.05 -0.44 -0.04 0.00 -1.05 0.00 0.00 37.83 36.25 2pcf s LYS 81 CO 0.42 -1.09 0.25 -0.59 1.55 0.00 0.00 175.35 175.89 2pcf s PHE 82 N 2.19 3.47 0.04 4.03 -0.12 -0.93 -2.69 117.98 123.98 2pcf s PHE 82 Ca 0.12 0.14 -0.05 0.00 -0.05 0.00 0.00 56.93 57.09 2pcf s PHE 82 Cb -0.13 -1.68 -0.01 0.00 -0.63 0.00 0.00 43.02 40.57 2pcf s PHE 82 CO -0.23 0.54 0.08 1.52 -0.05 0.00 0.00 175.22 177.08 2pcf s TYR 83 N -1.67 0.24 -0.23 3.49 -0.85 -1.22 -2.26 117.35 114.85 2pcf s TYR 83 Ca 0.34 -0.59 -0.29 0.00 -0.52 0.00 0.00 57.07 56.01 2pcf s TYR 83 Cb -0.12 -0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 2pcf s TYR 83 CO 0.28 -0.38 1.69 0.00 -1.52 0.00 0.00 175.55 175.62 2pcf h SER 85 N 11.28 -0.47 1.47 0.00 0.87 -1.74 0.31 113.55 125.28 2pcf h SER 85 Ca -0.35 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2pcf h SER 85 Cb 1.16 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 2pcf h SER 85 CO 1.00 -0.17 0.00 1.55 -0.53 0.00 0.00 176.83 178.69 2pcf h PRO 86 N -0.04 0.00 -2.03 2.24 0.13 -1.84 -3.36 132.00 127.10 2pcf h PRO 86 Ca 0.20 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.79 2pcf h PRO 86 Cb 0.34 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.07 2pcf h PRO 86 CO -0.44 0.00 -1.08 0.72 -0.23 0.00 0.00 178.00 176.97 2pcf n HIS 87 N -3.00 0.44 -0.02 1.56 8.25 0.15 -4.87 115.22 117.74 2pcf n HIS 87 Ca 0.02 -3.74 0.05 0.00 -0.26 0.00 0.00 57.72 53.80 2pcf n HIS 87 Cb 0.41 -0.40 -0.12 0.00 1.12 0.00 0.00 29.99 31.00 2pcf n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pcf n GLN 88 N 0.81 0.71 0.00 -0.41 -0.00 0.85 -3.90 117.38 115.44 2pcf n GLN 88 Ca 0.24 -0.11 0.12 0.00 -0.00 0.00 0.00 57.00 57.25 2pcf n GLN 88 Cb 0.56 -1.37 0.22 0.00 -0.00 0.00 0.00 30.24 29.65 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 1.72 -0.21 0.07 2.61 0.00 -1.26 -4.33 105.19 103.79 2pcf n GLY 89 Ca -0.07 -0.52 -0.08 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 3.88 0.05 0.00 4.61 0.00 -1.93 -3.49 119.26 122.38 2pcf h ALA 90 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2pcf h ALA 90 Cb 0.64 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2pcf h ALA 90 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2pcf n GLY 91 N 1.64 0.18 3.56 0.00 0.00 -1.26 -5.08 105.19 104.21 2pcf n GLY 91 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 3.17 -0.02 1.61 0.23 -1.26 -4.86 119.30 118.18 2pcf s MET 92 Ca 0.00 -0.45 -0.10 0.00 -1.03 0.00 0.00 55.69 54.11 2pcf s MET 92 Cb 0.00 -4.76 0.01 0.00 -1.53 0.00 0.00 34.83 28.55 2pcf s MET 92 CO 0.00 -2.42 0.21 0.14 -2.03 0.00 0.00 175.02 170.92 2pcf s VAL 93 N 6.52 0.06 0.42 5.16 -7.23 -1.26 -3.34 120.40 120.73 2pcf s VAL 93 Ca 0.48 -0.52 0.05 0.00 -1.81 0.00 0.00 61.98 60.17 2pcf s VAL 93 Cb -0.06 -0.48 -0.02 0.00 0.56 0.00 0.00 36.38 36.38 2pcf s VAL 93 CO 0.05 -0.29 0.16 -0.83 -0.31 0.00 0.00 175.10 173.88 2pcf s GLY 94 N -1.16 2.71 -0.13 2.32 0.00 -0.96 -4.65 107.32 105.45 2pcf s GLY 94 Ca -0.12 -1.20 -0.12 0.00 0.00 0.00 0.00 44.72 43.28 2pcf s GLY 94 CO 0.02 -1.80 0.34 -1.59 0.00 0.00 0.00 173.10 170.07 2pcf s LYS 95 N -3.62 0.39 -0.44 2.90 -2.85 -1.15 -2.19 119.74 112.78 2pcf s LYS 95 Ca 0.23 0.48 -0.20 0.00 -1.00 0.00 0.00 55.97 55.49 2pcf s LYS 95 Cb 0.01 0.18 0.03 0.00 -2.06 0.00 0.00 37.83 35.99 2pcf s LYS 95 CO 0.16 -0.05 0.59 0.08 0.10 0.00 0.00 175.35 176.23 2pcf s VAL 96 N 0.23 4.90 -1.20 1.79 1.01 -1.18 -3.63 120.40 122.32 2pcf s VAL 96 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2pcf s VAL 96 Cb -0.03 -4.18 0.22 0.00 0.00 0.00 0.00 36.38 32.40 2pcf s VAL 96 CO -0.00 -0.59 1.80 0.41 0.00 0.00 0.00 175.10 176.73 2pcf n THR 97 N 5.71 4.93 -2.75 3.92 -1.04 -0.91 -0.83 114.28 123.31 2pcf n THR 97 Ca -0.04 -5.03 -0.39 0.00 -2.04 0.00 0.00 64.05 56.55 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 -1.24 4.09 0.00 12.58 0.11 -0.74 -2.46 120.40 132.74 2pcf s VAL 98 Ca 0.38 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 61.43 2pcf s VAL 98 Cb 0.10 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 2pcf s VAL 98 CO 0.02 0.39 0.00 -0.46 -3.33 0.00 0.00 175.10 171.72