#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pni s SER 1 N 0.00 1.19 -0.28 1.61 0.01 -1.26 -5.09 113.70 109.88 2pni s SER 1 Ca 0.00 -0.20 -0.18 0.00 1.31 0.00 0.00 55.95 56.88 2pni s SER 1 Cb 0.00 0.54 0.11 0.00 0.21 0.00 0.00 66.02 66.88 2pni s SER 1 CO 0.00 -0.33 0.83 -0.32 0.41 0.00 0.00 173.24 173.83 2pni s MET 1 N 2.37 0.58 2.27 12.44 -2.45 -1.26 -5.14 119.30 128.11 2pni s MET 1 Ca 0.08 0.93 0.00 0.00 -1.25 0.00 0.00 55.69 55.46 2pni s MET 1 Cb -0.15 0.15 0.00 0.00 1.25 0.00 0.00 34.83 36.08 2pni s MET 1 CO -0.15 -0.11 0.00 0.45 1.05 0.00 0.00 175.02 176.26 2pni n SER 2 N 3.71 -4.51 -4.55 1.11 2.88 -1.26 -4.27 113.62 106.73 2pni n SER 2 Ca -0.18 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.00 2pni n SER 2 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 2pni n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pni s ALA 3 N -1.94 1.78 -1.12 -1.46 0.00 -1.26 -4.90 121.76 112.85 2pni s ALA 3 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 2pni s ALA 3 Cb 0.00 -4.34 0.17 0.00 0.00 0.00 0.00 23.12 18.95 2pni s ALA 3 CO 0.00 -4.32 1.33 -2.00 0.00 0.00 0.00 175.76 170.76 2pni s GLU 4 N 7.90 3.96 0.00 0.00 2.12 -1.26 -4.96 118.70 126.45 2pni s GLU 4 Ca 0.88 -2.39 0.00 0.00 0.36 0.00 0.00 54.97 53.81 2pni s GLU 4 Cb -0.15 -4.99 0.00 0.00 0.26 0.00 0.00 34.13 29.24 2pni s GLU 4 CO 0.24 -1.74 0.00 0.41 -0.54 0.00 0.00 175.26 173.63 2pni n GLY 5 N 4.41 -2.75 3.69 -1.50 0.00 -1.24 -4.46 105.19 103.34 2pni n GLY 5 Ca 0.32 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2pni n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pni s TYR 6 N 0.00 3.45 0.20 1.61 2.02 -1.21 -3.58 117.35 119.84 2pni s TYR 6 Ca 0.00 0.95 0.04 0.00 -0.37 0.00 0.00 57.07 57.69 2pni s TYR 6 Cb 0.00 -2.71 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 2pni s TYR 6 CO 0.00 -0.02 0.32 -0.65 -1.57 0.00 0.00 175.55 173.62 2pni s GLN 7 N 1.32 3.41 -0.08 -0.62 -0.21 -0.03 -1.62 119.66 121.83 2pni s GLN 7 Ca 0.29 -0.70 -0.03 0.00 0.02 0.00 0.00 55.36 54.94 2pni s GLN 7 Cb -0.16 -2.91 0.04 0.00 1.00 0.00 0.00 33.01 30.99 2pni s GLN 7 CO 0.12 0.47 0.17 0.71 -2.12 0.00 0.00 175.29 174.64 2pni s TYR 8 N -1.87 -0.21 -0.24 0.91 1.51 -0.83 -2.51 117.35 114.11 2pni s TYR 8 Ca 0.34 0.60 -0.19 0.00 -1.01 0.00 0.00 57.07 56.81 2pni s TYR 8 Cb -0.10 -0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.58 2pni s TYR 8 CO 0.29 -0.23 0.58 0.50 -1.11 0.00 0.00 175.55 175.58 2pni s ARG 9 N 1.76 4.12 -0.13 -0.62 3.52 -0.55 -1.72 118.95 125.33 2pni s ARG 9 Ca -0.03 0.48 -0.36 0.00 -0.13 0.00 0.00 55.73 55.68 2pni s ARG 9 Cb -0.12 -3.63 -0.13 0.00 -1.56 0.00 0.00 34.95 29.51 2pni s ARG 9 CO -0.06 -0.34 1.80 0.00 -0.81 0.00 0.00 175.30 175.88 2pni n ALA 10 N 5.48 0.51 -0.03 6.12 0.00 -0.84 -0.98 120.51 130.78 2pni n ALA 10 Ca -0.02 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.60 2pni n ALA 10 Cb 0.49 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 2pni n ALA 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2pni h LEU 11 N 8.22 0.34 -9.10 0.00 7.12 -1.58 -3.38 115.31 116.93 2pni h LEU 11 Ca -0.48 -0.69 -0.45 0.00 0.13 0.00 0.00 57.88 56.39 2pni h LEU 11 Cb 1.29 -0.10 -0.14 0.00 -0.53 0.00 0.00 40.66 41.18 2pni h LEU 11 CO 0.94 0.98 -0.55 -0.47 -0.13 0.00 0.00 178.44 179.21 2pni s TYR 12 N -3.47 1.68 0.08 1.25 5.04 -1.19 -4.92 117.35 115.82 2pni s TYR 12 Ca -0.15 -1.31 -0.30 0.00 -2.44 0.00 0.00 57.07 52.87 2pni s TYR 12 Cb 0.03 -0.96 -0.05 0.00 0.35 0.00 0.00 41.96 41.32 2pni s TYR 12 CO 0.76 -0.42 0.96 -0.51 -1.34 0.00 0.00 175.55 175.00 2pni s ASP 13 N -3.43 7.45 -0.27 4.32 1.11 -1.26 -4.52 116.67 120.06 2pni s ASP 13 Ca 0.33 1.74 0.03 0.00 0.18 0.00 0.00 52.55 54.83 2pni s ASP 13 Cb 0.05 -2.58 0.07 0.00 1.07 0.00 0.00 42.92 41.53 2pni s ASP 13 CO 0.17 -0.12 -0.08 -0.47 1.18 0.00 0.00 175.17 175.85 2pni s TYR 14 N 0.28 3.22 -1.13 4.23 5.04 -0.26 -4.95 117.35 123.78 2pni s TYR 14 Ca 0.48 -2.35 -0.09 0.00 -2.44 0.00 0.00 57.07 52.67 2pni s TYR 14 Cb -0.23 -2.02 0.27 0.00 0.35 0.00 0.00 41.96 40.33 2pni s TYR 14 CO 0.29 -0.88 1.17 1.17 -1.34 0.00 0.00 175.55 175.97 2pni n LYS 15 N 4.44 3.60 -4.16 4.97 3.00 -1.26 -1.40 118.16 127.34 2pni n LYS 15 Ca -0.11 -4.41 -0.12 0.00 -0.00 0.00 0.00 58.31 53.67 2pni n LYS 15 Cb 0.42 -2.59 -0.09 0.00 0.00 0.00 0.00 35.03 32.78 2pni n LYS 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2pni s LYS 16 N -1.16 1.32 -0.42 1.64 -0.14 -1.26 -5.05 119.74 114.65 2pni s LYS 16 Ca 0.32 -1.58 0.08 0.00 -1.36 0.00 0.00 55.97 53.43 2pni s LYS 16 Cb -0.08 0.32 0.32 0.00 -1.68 0.00 0.00 37.83 36.71 2pni s LYS 16 CO -0.06 -0.46 0.93 -1.91 -0.76 0.00 0.00 175.35 173.09 2pni n GLU 17 N -0.32 0.97 -2.92 1.68 2.13 -1.26 -3.10 120.64 117.82 2pni n GLU 17 Ca 0.02 -2.53 -0.27 0.00 0.66 0.00 0.00 57.16 55.04 2pni n GLU 17 Cb 0.65 -1.32 -0.01 0.00 0.27 0.00 0.00 31.44 31.03 2pni n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2pni s ARG 18 N -0.81 3.55 0.47 5.31 3.52 -1.22 -4.93 118.95 124.84 2pni s ARG 18 Ca 0.30 0.05 0.31 0.00 -0.13 0.00 0.00 55.73 56.26 2pni s ARG 18 Cb 0.30 -2.48 1.68 0.00 -1.56 0.00 0.00 34.95 32.90 2pni s ARG 18 CO -0.08 -0.06 1.96 0.93 -0.81 0.00 0.00 175.30 177.25 2pni h GLU 19 N 0.55 0.00 0.00 5.12 5.08 -2.03 -0.59 114.58 122.71 2pni h GLU 19 Ca -0.48 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.62 2pni h GLU 19 Cb 1.21 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2pni h GLU 19 CO 0.62 0.00 -2.02 0.39 -1.00 0.00 0.00 179.01 177.01 2pni n GLU 20 N -2.62 1.47 -3.43 2.33 1.02 -1.26 -5.03 120.64 113.12 2pni n GLU 20 Ca -0.02 -0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 56.92 2pni n GLU 20 Cb 0.07 -1.39 -0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2pni n GLU 20 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pni s ASP 21 N -4.79 5.95 0.26 1.62 1.01 -0.23 -1.15 116.67 119.35 2pni s ASP 21 Ca -0.07 -0.20 0.02 0.00 0.71 0.00 0.00 52.55 53.01 2pni s ASP 21 Cb 0.05 -1.20 -0.04 0.00 1.01 0.00 0.00 42.92 42.74 2pni s ASP 21 CO 0.62 -0.45 0.17 0.27 0.21 0.00 0.00 175.17 175.99 2pni s ILE 22 N -2.19 0.12 0.04 0.77 -4.36 -1.26 -3.40 121.20 110.92 2pni s ILE 22 Ca 0.46 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.55 2pni s ILE 22 Cb -0.10 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 2pni s ILE 22 CO 0.31 0.00 0.99 -1.81 0.24 0.00 0.00 174.94 174.67 2pni s ASP 23 N -3.28 7.38 -0.03 4.36 1.01 -1.18 -4.48 116.67 120.46 2pni s ASP 23 Ca 0.39 1.73 0.04 0.00 0.71 0.00 0.00 52.55 55.41 2pni s ASP 23 Cb 0.05 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.40 2pni s ASP 23 CO 0.17 -0.22 -0.14 -0.76 0.21 0.00 0.00 175.17 174.44 2pni s LEU 24 N 0.70 1.92 0.00 1.23 1.43 -0.50 -5.02 118.68 118.45 2pni s LEU 24 Ca 0.51 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 2pni s LEU 24 Cb -0.22 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 2pni s LEU 24 CO 0.29 0.14 0.17 1.41 0.23 0.00 0.00 176.35 178.59 2pni n HIS 25 N 3.02 -0.04 -1.79 0.29 -0.00 -1.26 -1.10 115.22 114.34 2pni n HIS 25 Ca -0.17 -2.67 -0.36 0.00 -0.00 0.00 0.00 57.72 54.53 2pni n HIS 25 Cb 0.54 0.05 0.06 0.00 -0.00 0.00 0.00 29.99 30.64 2pni n HIS 25 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2pni s LEU 26 N 0.00 3.55 0.00 2.41 1.43 -1.26 -3.14 118.68 121.67 2pni s LEU 26 Ca 0.24 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2pni s LEU 26 Cb 0.01 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.63 2pni s LEU 26 CO 0.17 -1.87 0.00 0.61 0.23 0.00 0.00 176.35 175.49 2pni n GLY 27 N 0.57 2.02 3.64 -3.19 0.00 -1.26 -4.95 105.19 102.02 2pni n GLY 27 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2pni n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 28 N -3.22 6.14 -0.00 1.61 1.11 -1.19 -4.89 116.67 116.23 2pni s ASP 28 Ca 0.00 2.33 -0.07 0.00 0.18 0.00 0.00 52.55 54.99 2pni s ASP 28 Cb 0.00 -2.52 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 2pni s ASP 28 CO 0.00 -1.35 0.26 -0.63 1.18 0.00 0.00 175.17 174.63 2pni s ILE 29 N 5.72 5.31 0.14 0.77 1.09 -1.26 -1.98 121.20 131.00 2pni s ILE 29 Ca 0.90 0.19 0.08 0.00 -1.10 0.00 0.00 60.65 60.73 2pni s ILE 29 Cb -0.38 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 2pni s ILE 29 CO 0.38 0.40 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.67 2pni s LEU 30 N -1.67 2.40 -0.02 2.97 1.02 -0.70 -4.39 118.68 118.28 2pni s LEU 30 Ca 0.26 -0.81 0.01 0.00 0.02 0.00 0.00 54.13 53.61 2pni s LEU 30 Cb -0.13 -0.83 0.02 0.00 0.02 0.00 0.00 46.19 45.26 2pni s LEU 30 CO 0.15 -0.01 -0.02 -0.89 0.02 0.00 0.00 176.35 175.60 2pni s THR 31 N -1.79 0.25 0.40 5.49 2.01 -0.82 -1.97 115.64 119.21 2pni s THR 31 Ca 0.13 -0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.20 2pni s THR 31 Cb -0.07 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 2pni s THR 31 CO 0.06 0.14 0.38 -0.69 -0.69 0.00 0.00 174.62 173.81 2pni s VAL 32 N 0.72 2.92 1.24 3.82 1.01 -0.64 -1.64 120.40 127.83 2pni s VAL 32 Ca -0.08 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 2pni s VAL 32 Cb -0.11 -3.05 0.28 0.00 0.00 0.00 0.00 36.38 33.50 2pni s VAL 32 CO -0.01 -0.04 0.77 0.59 0.00 0.00 0.00 175.10 176.41 2pni n ASN 33 N -1.53 -2.49 -3.60 3.32 5.03 -1.26 -3.29 115.26 111.43 2pni n ASN 33 Ca 0.03 -0.34 -0.29 0.00 0.87 0.00 0.00 54.58 54.84 2pni n ASN 33 Cb 0.61 -1.12 -0.14 0.00 -1.02 0.00 0.00 39.78 38.11 2pni n ASN 33 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2pni s LYS 34 N -4.30 0.63 0.00 3.52 -2.85 -1.26 -3.98 119.74 111.51 2pni s LYS 34 Ca 0.65 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 2pni s LYS 34 Cb -0.20 -1.64 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 2pni s LYS 34 CO 0.63 -1.09 0.00 0.41 0.10 0.00 0.00 175.35 175.40 2pni n GLY 35 N 4.49 1.43 2.68 0.59 0.00 -1.26 -4.91 105.19 108.22 2pni n GLY 35 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2pni n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pni n SER 36 N 0.00 5.90 0.25 1.61 2.88 -1.26 -4.66 113.62 118.33 2pni n SER 36 Ca 0.00 -3.76 0.15 0.00 -1.33 0.00 0.00 58.87 53.93 2pni n SER 36 Cb 0.00 -0.73 0.83 0.00 -0.75 0.00 0.00 64.21 63.56 2pni n SER 36 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2pni h LEU 37 N 2.83 0.00 0.00 2.46 8.10 -1.91 -1.96 115.31 124.83 2pni h LEU 37 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.39 2pni h LEU 37 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 2pni h LEU 37 CO 1.09 0.00 0.10 0.52 -4.11 0.00 0.00 178.44 176.04 2pni n VAL 38 N -2.61 1.38 -0.28 0.15 0.31 -1.26 -2.60 118.33 113.41 2pni n VAL 38 Ca -0.02 0.44 0.26 0.00 -0.01 0.00 0.00 64.34 65.01 2pni n VAL 38 Cb 0.12 -1.44 0.47 0.00 -0.91 0.00 0.00 33.84 32.07 2pni n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pni n ALA 39 N -1.33 0.87 -0.06 3.52 0.00 -0.74 -1.15 120.51 121.61 2pni n ALA 39 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.16 2pni n ALA 39 Cb 0.10 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2pni n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pni n LEU 40 N -4.50 0.20 -0.14 0.00 4.77 -1.07 -5.01 117.00 111.26 2pni n LEU 40 Ca 0.29 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2pni n LEU 40 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 2pni n LEU 40 CO 0.06 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2pni n GLY 41 N 0.56 0.97 3.79 -0.72 0.00 -0.30 -5.08 105.19 104.40 2pni n GLY 41 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 2pni n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pni s PHE 42 N -2.27 2.78 0.00 1.61 0.08 -1.11 -4.93 117.98 114.14 2pni s PHE 42 Ca 0.00 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.43 2pni s PHE 42 Cb 0.00 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.43 2pni s PHE 42 CO 0.00 -1.68 0.00 -1.13 -0.10 0.00 0.00 175.22 172.31 2pni n SER 43 N -3.42 1.25 -4.57 1.36 3.41 -1.26 -4.51 113.62 105.87 2pni n SER 43 Ca 0.08 -0.87 -0.35 0.00 -0.26 0.00 0.00 58.87 57.47 2pni n SER 43 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 2pni n SER 43 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pni s ASP 44 N -0.84 5.88 0.00 4.04 2.15 -1.26 -4.80 116.67 121.83 2pni s ASP 44 Ca 0.00 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.18 2pni s ASP 44 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2pni s ASP 44 CO 0.00 -2.16 0.00 0.61 -0.17 0.00 0.00 175.17 173.45 2pni n GLY 45 N 5.92 0.44 0.10 2.66 0.00 -1.26 -5.07 105.19 107.97 2pni n GLY 45 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2pni n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pni n GLN 46 N 0.00 0.00 -3.52 1.61 3.00 -1.26 -5.05 117.38 112.15 2pni n GLN 46 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 2pni n GLN 46 Cb 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 30.24 29.83 2pni n GLN 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2pni n GLU 47 N -1.55 -6.01 0.00 -1.09 -0.58 -1.26 -4.76 120.64 105.40 2pni n GLU 47 Ca 0.00 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 2pni n GLU 47 Cb 0.00 -5.67 0.00 0.00 -0.57 0.00 0.00 31.44 25.20 2pni n GLU 47 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pni n ALA 48 N -4.39 0.00 -3.90 0.62 0.00 -1.26 -5.00 120.51 106.57 2pni n ALA 48 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 2pni n ALA 48 Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 2pni n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2pni s LYS 49 N 0.00 2.29 0.00 0.00 3.01 -1.26 -4.69 119.74 119.09 2pni s LYS 49 Ca 0.00 -2.98 0.08 0.00 -1.01 0.00 0.00 55.97 52.06 2pni s LYS 49 Cb 0.00 -3.42 0.45 0.00 -1.01 0.00 0.00 37.83 33.85 2pni s LYS 49 CO 0.00 -1.20 1.01 -0.35 0.51 0.00 0.00 175.35 175.32 2pni n PRO 50 N 2.58 0.20 0.15 -1.68 -0.04 -1.26 -3.03 135.00 131.92 2pni n PRO 50 Ca 0.12 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.80 2pni n PRO 50 Cb 0.34 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.78 2pni n PRO 50 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2pni h GLU 51 N 0.00 0.00 0.00 0.54 4.39 -1.91 -3.32 114.58 114.28 2pni h GLU 51 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2pni h GLU 51 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2pni h GLU 51 CO 0.00 0.00 -0.75 -0.85 -1.16 0.00 0.00 179.01 176.25 2pni n GLU 52 N -2.43 1.84 -1.71 2.33 0.28 -1.17 -5.00 120.64 114.78 2pni n GLU 52 Ca 0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.64 2pni n GLU 52 Cb 0.31 -0.87 0.04 0.00 1.43 0.00 0.00 31.44 32.35 2pni n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2pni n ILE 53 N -1.86 3.62 0.00 3.84 5.41 -1.21 -5.01 119.36 124.14 2pni n ILE 53 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2pni n ILE 53 Cb 0.37 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 2pni n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2pni n GLY 54 N 0.87 0.95 3.80 7.39 0.00 -1.26 -4.42 105.19 112.51 2pni n GLY 54 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2pni n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pni s TRP 55 N 0.22 3.61 -0.05 1.61 0.52 -1.26 -2.25 118.94 121.32 2pni s TRP 55 Ca 0.00 0.77 0.04 0.00 0.02 0.00 0.00 56.10 56.93 2pni s TRP 55 Cb 0.00 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.05 2pni s TRP 55 CO 0.00 0.51 -0.18 -0.51 0.02 0.00 0.00 176.95 176.79 2pni s LEU 56 N -0.48 2.52 -0.25 2.99 1.02 -0.77 -4.96 118.68 118.75 2pni s LEU 56 Ca 0.20 -0.30 -0.06 0.00 0.02 0.00 0.00 54.13 53.98 2pni s LEU 56 Cb -0.14 -1.50 -0.02 0.00 0.02 0.00 0.00 46.19 44.55 2pni s LEU 56 CO 0.08 0.31 0.05 0.20 0.02 0.00 0.00 176.35 177.01 2pni s ASN 57 N -0.51 4.94 0.19 2.29 0.02 -1.26 -1.11 114.94 119.49 2pni s ASN 57 Ca 0.07 -0.36 -0.12 0.00 -1.02 0.00 0.00 52.86 51.42 2pni s ASN 57 Cb -0.11 -1.87 0.00 0.00 0.02 0.00 0.00 41.25 39.29 2pni s ASN 57 CO 0.01 -0.07 0.39 -0.83 0.02 0.00 0.00 177.10 176.63 2pni s GLY 58 N 1.56 0.31 0.13 0.66 0.00 -0.75 -4.72 107.32 104.50 2pni s GLY 58 Ca 0.05 -0.67 -0.17 0.00 0.00 0.00 0.00 44.72 43.93 2pni s GLY 58 CO 0.02 -0.62 0.58 -0.47 0.00 0.00 0.00 173.10 172.62 2pni s TYR 59 N -3.95 3.68 -0.72 1.90 6.14 -0.65 -2.29 117.35 121.47 2pni s TYR 59 Ca 0.16 1.18 0.04 0.00 0.64 0.00 0.00 57.07 59.09 2pni s TYR 59 Cb 0.01 -2.45 0.27 0.00 0.42 0.00 0.00 41.96 40.21 2pni s TYR 59 CO 0.01 0.47 0.93 -1.71 0.64 0.00 0.00 175.55 175.88 2pni n ASN 60 N 1.09 4.42 -0.37 4.32 5.15 -0.24 -1.94 115.26 127.69 2pni n ASN 60 Ca -0.06 -3.48 0.35 0.00 -0.60 0.00 0.00 54.58 50.78 2pni n ASN 60 Cb 0.51 -0.77 0.70 0.00 -0.53 0.00 0.00 39.78 39.70 2pni n ASN 60 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2pni h GLU 61 N 4.23 0.08 -0.53 1.20 4.39 -1.78 -0.35 114.58 121.83 2pni h GLU 61 Ca 0.20 -0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.00 2pni h GLU 61 Cb 0.62 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.16 2pni h GLU 61 CO 0.93 0.05 -0.05 1.15 -1.16 0.00 0.00 179.01 179.93 2pni h THR 62 N 0.08 0.53 -0.02 1.13 2.02 -1.91 -1.84 112.91 112.91 2pni h THR 62 Ca 0.63 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.78 2pni h THR 62 Cb 2.29 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2pni h THR 62 CO -0.10 0.01 -0.25 0.35 0.37 0.00 0.00 175.52 175.91 2pni n THR 63 N -5.30 0.00 -2.49 3.16 -2.24 -0.43 -4.94 114.28 102.05 2pni n THR 63 Ca 0.06 -0.33 -0.15 0.00 -2.27 0.00 0.00 64.05 61.37 2pni n THR 63 Cb 0.29 1.18 0.01 0.00 -2.10 0.00 0.00 70.33 69.71 2pni n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pni n GLY 64 N 1.37 -0.18 3.66 3.38 0.00 -0.27 -5.02 105.19 108.13 2pni n GLY 64 Ca 0.12 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2pni n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pni s GLU 65 N -4.97 2.06 -0.04 1.61 2.02 -0.81 -4.96 118.70 113.62 2pni s GLU 65 Ca 0.09 -2.27 -0.08 0.00 0.02 0.00 0.00 54.97 52.73 2pni s GLU 65 Cb -0.04 -1.28 0.01 0.00 0.10 0.00 0.00 34.13 32.92 2pni s GLU 65 CO 0.11 -0.33 0.19 -0.98 0.02 0.00 0.00 175.26 174.27 2pni s ARG 66 N -3.81 0.39 0.00 1.61 1.70 -1.26 -1.08 118.95 116.50 2pni s ARG 66 Ca 0.17 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.37 2pni s ARG 66 Cb 0.04 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2pni s ARG 66 CO 0.09 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.64 2pni n GLY 67 N 2.14 -0.61 3.89 3.88 0.00 -0.97 -4.84 105.19 108.68 2pni n GLY 67 Ca -0.18 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 2pni n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pni s ASP 68 N -4.00 6.09 -0.18 1.61 1.11 -0.30 -1.82 116.67 119.19 2pni s ASP 68 Ca 0.00 0.10 -0.20 0.00 0.18 0.00 0.00 52.55 52.63 2pni s ASP 68 Cb 0.00 -1.78 0.05 0.00 1.07 0.00 0.00 42.92 42.27 2pni s ASP 68 CO 0.00 0.08 0.54 0.72 1.18 0.00 0.00 175.17 177.69 2pni s PHE 69 N -1.69 -0.57 0.39 4.23 -0.71 -0.27 -4.08 117.98 115.28 2pni s PHE 69 Ca 0.33 1.35 -0.27 0.00 -1.04 0.00 0.00 56.93 57.31 2pni s PHE 69 Cb -0.11 0.21 -0.09 0.00 -1.21 0.00 0.00 43.02 41.82 2pni s PHE 69 CO 0.27 -0.32 1.31 -1.25 -1.34 0.00 0.00 175.22 173.88 2pni s PRO 70 N 0.05 4.05 0.45 1.99 0.05 -1.26 -1.85 135.00 138.48 2pni s PRO 70 Ca -0.02 2.18 0.25 0.00 0.05 0.00 0.00 61.00 63.46 2pni s PRO 70 Cb -0.04 -2.83 0.89 0.00 0.05 0.00 0.00 34.50 32.58 2pni s PRO 70 CO 0.02 -0.43 1.81 0.78 0.05 0.00 0.00 177.00 179.23 2pni h GLY 71 N 2.83 0.00 1.64 0.56 0.00 -1.66 -3.07 103.07 103.36 2pni h GLY 71 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2pni h GLY 71 CO 0.63 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.87 2pni n THR 72 N -3.29 0.48 0.51 4.70 -2.24 -1.25 -2.63 114.28 110.57 2pni n THR 72 Ca 0.01 0.12 0.06 0.00 -2.27 0.00 0.00 64.05 61.96 2pni n THR 72 Cb 0.44 -0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 2pni n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pni n TYR 73 N -1.32 0.00 -4.45 4.78 4.02 -1.16 -5.02 117.16 114.00 2pni n TYR 73 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.76 2pni n TYR 73 Cb 0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.43 2pni n TYR 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2pni n VAL 74 N -0.54 0.00 -3.68 -0.72 0.24 -1.08 -1.64 118.33 110.90 2pni n VAL 74 Ca 0.04 -1.80 -0.13 0.00 -2.04 0.00 0.00 64.34 60.40 2pni n VAL 74 Cb 0.22 0.53 -0.13 0.00 -1.47 0.00 0.00 33.84 32.99 2pni n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2pni s GLU 75 N -3.26 0.16 0.10 7.34 -6.30 -0.15 -4.67 118.70 111.93 2pni s GLU 75 Ca 0.09 0.67 -0.33 0.00 -2.50 0.00 0.00 54.97 52.90 2pni s GLU 75 Cb 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 34.13 33.93 2pni s GLU 75 CO 0.07 -0.25 1.69 0.98 0.02 0.00 0.00 175.26 177.77 2pni n TYR 76 N 4.99 2.37 -0.03 5.30 4.19 -1.26 -1.48 117.16 131.25 2pni n TYR 76 Ca -0.12 0.13 -0.08 0.00 3.31 0.00 0.00 57.90 61.14 2pni n TYR 76 Cb 0.51 -2.61 -0.03 0.00 0.49 0.00 0.00 39.34 37.70 2pni n TYR 76 CO 0.00 0.00 0.00 0.44 0.91 0.00 0.00 176.86 178.21 2pni n ILE 77 N 4.02 1.01 -3.88 2.97 -5.35 -1.05 -4.90 119.36 112.18 2pni n ILE 77 Ca 0.18 0.07 -0.09 0.00 -0.27 0.00 0.00 62.75 62.64 2pni n ILE 77 Cb 0.31 -1.79 -0.07 0.00 -1.74 0.00 0.00 39.64 36.34 2pni n ILE 77 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2pni s GLY 78 N -4.80 0.19 0.24 3.28 0.00 -1.24 -5.04 107.32 99.95 2pni s GLY 78 Ca -0.14 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 43.81 2pni s GLY 78 CO 0.20 -0.82 0.45 -0.96 0.00 0.00 0.00 173.10 171.97 2pni n ARG 79 N -0.09 0.65 -3.48 2.90 0.00 -1.26 -0.85 116.66 114.53 2pni n ARG 79 Ca -0.13 -1.40 -0.27 0.00 -0.00 0.00 0.00 57.85 56.05 2pni n ARG 79 Cb 0.63 1.68 -0.13 0.00 -0.00 0.00 0.00 32.46 34.64 2pni n ARG 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2pni s LYS 80 N -2.11 0.41 0.38 2.89 -2.85 -1.23 -4.98 119.74 112.24 2pni s LYS 80 Ca 0.11 -0.93 -0.23 0.00 -1.00 0.00 0.00 55.97 53.91 2pni s LYS 80 Cb -0.03 -1.16 -0.14 0.00 -2.06 0.00 0.00 37.83 34.44 2pni s LYS 80 CO 0.08 -1.13 0.49 0.36 0.10 0.00 0.00 175.35 175.25 2pni n LYS 81 N 4.57 0.45 -2.54 1.78 2.85 -1.26 -4.84 118.16 119.17 2pni n LYS 81 Ca 0.05 0.16 -0.24 0.00 -1.05 0.00 0.00 58.31 57.23 2pni n LYS 81 Cb 0.40 -1.37 0.12 0.00 -0.65 0.00 0.00 35.03 33.53 2pni n LYS 81 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2pni s ILE 82 N -1.41 2.08 0.50 0.58 1.09 -1.26 -5.10 121.20 117.68 2pni s ILE 82 Ca 0.62 -0.55 -0.03 0.00 -1.10 0.00 0.00 60.65 59.59 2pni s ILE 82 Cb -0.66 -2.53 -0.01 0.00 -1.06 0.00 0.00 42.46 38.20 2pni s ILE 82 CO 0.59 0.00 0.77 -0.94 -0.10 0.00 0.00 174.94 175.26 2pni s SER 83 N -4.78 5.86 0.00 3.58 1.04 -1.26 -5.12 113.70 113.02 2pni s SER 83 Ca 0.68 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2pni s SER 83 Cb -0.05 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.30 2pni s SER 83 CO 0.45 -0.79 0.43 -0.81 0.98 0.00 0.00 173.24 173.51