#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1spk s SER 2 N 0.00 6.59 -0.35 1.61 0.15 -1.26 -4.99 113.70 115.45 1spk s SER 2 Ca 0.00 0.72 -0.40 0.00 0.70 0.00 0.00 55.95 56.97 1spk s SER 2 Cb 0.00 -2.15 -0.15 0.00 -1.71 0.00 0.00 66.02 62.01 1spk s SER 2 CO 0.00 0.15 1.92 -1.20 1.20 0.00 0.00 173.24 175.31 1spk n SER 3 N 0.72 1.99 0.00 5.45 7.64 -1.26 -4.41 113.62 123.75 1spk n SER 3 Ca -0.07 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1spk n SER 3 Cb 0.52 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1spk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1spk n GLY 4 N 5.35 0.05 1.13 0.23 0.00 -1.26 -5.13 105.19 105.57 1spk n GLY 4 Ca 0.35 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1spk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1spk n SER 5 N 0.00 -6.22 -4.62 1.61 7.64 -1.26 -4.92 113.62 105.85 1spk n SER 5 Ca 0.00 1.16 -0.34 0.00 1.01 0.00 0.00 58.87 60.70 1spk n SER 5 Cb 0.00 -3.28 -0.10 0.00 -1.01 0.00 0.00 64.21 59.82 1spk n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1spk s SER 6 N -4.03 5.49 0.00 6.43 0.01 -1.26 -4.90 113.70 115.44 1spk s SER 6 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1spk s SER 6 Cb 0.00 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.32 1spk s SER 6 CO 0.00 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1spk n GLY 7 N 3.40 -0.27 3.11 3.44 0.00 -1.26 -4.84 105.19 108.77 1spk n GLY 7 Ca -0.17 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1spk n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1spk n GLN 8 N 0.00 -0.60 -4.89 1.61 3.00 -1.26 -3.97 117.38 111.27 1spk n GLN 8 Ca 0.00 -0.17 -0.31 0.00 -0.01 0.00 0.00 57.00 56.51 1spk n GLN 8 Cb 0.00 -1.27 -0.14 0.00 0.00 0.00 0.00 30.24 28.83 1spk n GLN 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1spk s LYS 9 N -2.56 1.99 0.12 -1.09 1.02 -1.26 -0.57 119.74 117.40 1spk s LYS 9 Ca 0.44 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.48 1spk s LYS 9 Cb 0.01 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1spk s LYS 9 CO 0.67 0.54 -0.14 0.14 -0.92 0.00 0.00 175.35 175.63 1spk s VAL 10 N -0.81 1.35 -0.08 3.17 -7.23 -0.80 -1.81 120.40 114.18 1spk s VAL 10 Ca 0.12 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1spk s VAL 10 Cb -0.10 -1.55 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1spk s VAL 10 CO 0.02 -0.42 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.43 1spk s LYS 11 N -2.70 2.57 -0.01 4.82 2.20 0.25 -1.97 119.74 124.89 1spk s LYS 11 Ca 0.09 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1spk s LYS 11 Cb -0.05 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.20 1spk s LYS 11 CO 0.03 0.21 1.05 0.95 -0.36 0.00 0.00 175.35 177.23 1spk s THR 12 N 0.24 4.62 -1.54 3.43 -4.23 -1.05 -0.36 115.64 116.75 1spk s THR 12 Ca -0.13 1.89 0.22 0.00 -1.18 0.00 0.00 61.69 62.49 1spk s THR 12 Cb -0.16 -4.21 -0.11 0.00 1.34 0.00 0.00 72.50 69.36 1spk s THR 12 CO 0.06 0.10 1.01 2.30 -0.54 0.00 0.00 174.62 177.56 1spk n ILE 13 N 4.11 0.00 -3.84 2.99 -5.35 -1.20 -0.75 119.36 115.31 1spk n ILE 13 Ca 0.08 -0.14 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 1spk n ILE 13 Cb 0.49 1.12 -0.10 0.00 -1.74 0.00 0.00 39.64 39.40 1spk n ILE 13 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1spk s PHE 14 N -2.73 -0.05 0.46 4.28 0.08 -1.26 -4.91 117.98 113.86 1spk s PHE 14 Ca 0.14 0.09 -0.21 0.00 0.12 0.00 0.00 56.93 57.06 1spk s PHE 14 Cb 0.17 -0.00 -0.09 0.00 -0.57 0.00 0.00 43.02 42.53 1spk s PHE 14 CO 0.71 -0.24 1.04 -1.25 -0.10 0.00 0.00 175.22 175.38 1spk s PRO 15 N -0.94 3.89 -0.32 0.24 0.04 -1.26 -4.46 135.00 132.18 1spk s PRO 15 Ca -0.10 1.40 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1spk s PRO 15 Cb -0.06 -2.21 0.19 0.00 0.04 0.00 0.00 34.50 32.46 1spk s PRO 15 CO 0.01 -0.36 0.76 -1.58 0.04 0.00 0.00 177.00 175.88 1spk s HIS 16 N -1.89 -1.34 0.09 0.56 2.46 -1.25 -4.99 115.29 108.94 1spk s HIS 16 Ca 0.65 0.58 -0.24 0.00 0.47 0.00 0.00 55.06 56.52 1spk s HIS 16 Cb -0.18 0.23 -0.07 0.00 -0.13 0.00 0.00 32.58 32.44 1spk s HIS 16 CO 0.22 -0.82 0.71 -0.08 -2.47 0.00 0.00 174.74 172.30 1spk s THR 17 N 2.51 4.62 0.22 0.89 -1.32 -1.26 -3.74 115.64 117.56 1spk s THR 17 Ca 0.16 1.54 -0.11 0.00 -1.21 0.00 0.00 61.69 62.07 1spk s THR 17 Cb -0.05 -4.06 0.21 0.00 -1.51 0.00 0.00 72.50 67.09 1spk s THR 17 CO -0.19 0.47 1.65 0.00 -2.21 0.00 0.00 174.62 174.33 1spk h ALA 18 N 4.96 0.58 -4.79 11.08 0.00 -1.55 -3.47 119.26 126.06 1spk h ALA 18 Ca -0.46 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1spk h ALA 18 Cb 1.21 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1spk h ALA 18 CO 0.68 -0.41 -0.47 0.41 0.00 0.00 0.00 179.25 179.46 1spk n GLY 19 N -1.39 -1.71 5.00 0.00 0.00 -1.26 -3.70 105.19 102.13 1spk n GLY 19 Ca 0.09 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1spk n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1spk n ASN 20 N -0.18 0.00 -4.42 1.61 2.85 -1.26 -4.89 115.26 108.97 1spk n ASN 20 Ca 0.08 0.00 -0.48 0.00 -0.11 0.00 0.00 54.58 54.07 1spk n ASN 20 Cb 0.30 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.29 1spk n ASN 20 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1spk n ASN 21 N 2.60 -0.97 -0.05 1.20 4.13 -1.24 -4.87 115.26 116.06 1spk n ASN 21 Ca 0.00 1.14 0.01 0.00 1.68 0.00 0.00 54.58 57.41 1spk n ASN 21 Cb 0.00 -0.98 -0.16 0.00 -1.54 0.00 0.00 39.78 37.11 1spk n ASN 21 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1spk n LYS 22 N 1.00 0.74 -0.07 3.52 5.02 -1.26 -4.33 118.16 122.78 1spk n LYS 22 Ca 0.17 -0.11 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 1spk n LYS 22 Cb 0.25 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1spk n LYS 22 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1spk h THR 23 N 0.00 1.28 -4.39 -0.18 1.35 -1.96 -3.44 112.91 105.57 1spk h THR 23 Ca -0.24 -1.55 -0.50 0.00 -0.55 0.00 0.00 66.41 63.58 1spk h THR 23 Cb 1.50 1.44 0.07 0.00 -1.73 0.00 0.00 68.15 69.43 1spk h THR 23 CO 0.01 0.50 0.40 -0.76 -0.25 0.00 0.00 175.52 175.43 1spk s LEU 24 N -8.73 3.06 0.26 3.87 1.43 -1.26 -0.82 118.68 116.49 1spk s LEU 24 Ca -0.09 1.35 0.07 0.00 -1.03 0.00 0.00 54.13 54.43 1spk s LEU 24 Cb 0.12 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 1spk s LEU 24 CO 0.85 -1.19 0.18 -0.22 0.23 0.00 0.00 176.35 176.21 1spk s LEU 25 N -5.34 3.73 -0.17 1.79 2.96 -1.18 -4.56 118.68 115.92 1spk s LEU 25 Ca 0.57 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1spk s LEU 25 Cb -0.12 -2.27 0.02 0.00 0.50 0.00 0.00 46.19 44.33 1spk s LEU 25 CO 0.53 -0.06 -0.17 -0.94 -1.32 0.00 0.00 176.35 174.40 1spk s SER 26 N -3.83 2.95 0.32 3.68 1.04 -1.26 -1.52 113.70 115.07 1spk s SER 26 Ca 0.33 -0.59 -0.14 0.00 0.48 0.00 0.00 55.95 56.03 1spk s SER 26 Cb -0.08 -1.35 0.02 0.00 0.10 0.00 0.00 66.02 64.72 1spk s SER 26 CO 0.24 -0.03 0.64 0.72 0.98 0.00 0.00 173.24 175.79 1spk s PHE 27 N 1.38 0.28 0.16 5.02 -0.12 -1.25 -4.93 117.98 118.51 1spk s PHE 27 Ca 0.05 -0.74 0.09 0.00 -0.05 0.00 0.00 56.93 56.28 1spk s PHE 27 Cb -0.13 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.69 1spk s PHE 27 CO -0.12 -1.27 -0.16 0.00 -0.05 0.00 0.00 175.22 173.62 1spk s ALA 28 N -3.27 2.75 -0.13 1.99 0.00 -1.26 -3.76 121.76 118.08 1spk s ALA 28 Ca 0.19 -1.46 -0.35 0.00 0.00 0.00 0.00 51.96 50.34 1spk s ALA 28 Cb -0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 23.12 22.35 1spk s ALA 28 CO 0.11 0.51 1.85 0.94 0.00 0.00 0.00 175.76 179.18 1spk n GLN 29 N 0.41 1.97 0.00 0.00 7.27 -1.26 -1.05 117.38 124.73 1spk n GLN 29 Ca -0.13 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1spk n GLN 29 Cb 0.54 -2.54 0.00 0.00 2.41 0.00 0.00 30.24 30.66 1spk n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1spk n GLY 30 N 4.36 0.71 3.49 1.69 0.00 0.07 -4.99 105.19 110.53 1spk n GLY 30 Ca 0.23 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1spk n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1spk n ASP 31 N 0.00 -0.89 -4.40 1.61 9.92 -0.21 -4.58 116.55 118.00 1spk n ASP 31 Ca 0.00 0.59 -0.33 0.00 -0.53 0.00 0.00 54.79 54.52 1spk n ASP 31 Cb 0.00 -1.26 -0.14 0.00 -0.64 0.00 0.00 41.12 39.08 1spk n ASP 31 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1spk s VAL 32 N -1.93 2.93 -0.01 2.53 1.01 -1.26 -2.54 120.40 121.13 1spk s VAL 32 Ca 0.67 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1spk s VAL 32 Cb -0.34 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1spk s VAL 32 CO 0.57 0.56 -0.24 -0.76 0.00 0.00 0.00 175.10 175.23 1spk s LEU 33 N -0.11 2.07 -0.22 3.92 1.43 -0.83 -2.78 118.68 122.15 1spk s LEU 33 Ca -0.02 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 1spk s LEU 33 Cb -0.14 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1spk s LEU 33 CO 0.04 0.28 0.42 -0.89 0.23 0.00 0.00 176.35 176.43 1spk s THR 34 N -0.60 5.17 0.43 5.49 2.01 0.95 -1.91 115.64 127.18 1spk s THR 34 Ca 0.09 0.73 -0.24 0.00 0.31 0.00 0.00 61.69 62.58 1spk s THR 34 Cb -0.09 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.59 1spk s THR 34 CO -0.00 0.20 1.12 -0.76 -0.69 0.00 0.00 174.62 174.49 1spk s LEU 35 N 1.62 4.09 -0.07 4.42 1.02 0.27 0.20 118.68 130.23 1spk s LEU 35 Ca 0.19 2.20 -0.03 0.00 0.02 0.00 0.00 54.13 56.50 1spk s LEU 35 Cb -0.15 -4.19 -0.03 0.00 0.02 0.00 0.00 46.19 41.84 1spk s LEU 35 CO 0.09 -0.70 -0.09 0.18 0.02 0.00 0.00 176.35 175.85 1spk n LEU 36 N -0.23 0.70 -4.78 1.79 4.77 -1.18 -4.15 117.00 113.93 1spk n LEU 36 Ca 0.06 0.08 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 1spk n LEU 36 Cb 0.48 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1spk n LEU 36 CO 0.47 0.18 -0.20 0.27 -1.33 0.00 0.00 177.39 176.78 1spk s ILE 37 N -2.13 5.23 -0.82 -0.08 -4.36 -1.26 -4.77 121.20 113.01 1spk s ILE 37 Ca -0.10 0.11 0.23 0.00 -0.26 0.00 0.00 60.65 60.64 1spk s ILE 37 Cb 0.04 -3.31 0.22 0.00 1.25 0.00 0.00 42.46 40.66 1spk s ILE 37 CO 0.13 0.55 1.72 -0.81 0.24 0.00 0.00 174.94 176.76 1spk n PRO 38 N 2.64 0.11 -2.67 0.37 -0.04 -1.26 -4.76 135.00 129.39 1spk n PRO 38 Ca -0.18 0.22 -0.21 0.00 -0.04 0.00 0.00 63.50 63.29 1spk n PRO 38 Cb 0.54 -1.66 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 1spk n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1spk s GLU 39 N -3.10 2.52 -0.01 0.54 0.41 -1.26 -5.11 118.70 112.69 1spk s GLU 39 Ca 0.09 -0.85 0.06 0.00 -0.41 0.00 0.00 54.97 53.86 1spk s GLU 39 Cb 0.13 -2.51 -0.02 0.00 -1.78 0.00 0.00 34.13 29.95 1spk s GLU 39 CO 0.44 -0.72 -0.19 -1.83 -0.49 0.00 0.00 175.26 172.47 1spk s GLU 40 N -4.75 1.52 -1.47 1.61 -1.05 -1.26 -4.67 118.70 108.64 1spk s GLU 40 Ca 0.58 -0.72 -0.13 0.00 -0.15 0.00 0.00 54.97 54.54 1spk s GLU 40 Cb -0.10 -1.49 0.03 0.00 -0.44 0.00 0.00 34.13 32.13 1spk s GLU 40 CO 0.38 0.40 2.29 1.17 0.95 0.00 0.00 175.26 180.45 1spk n LYS 41 N 2.49 2.97 -3.42 -4.83 3.00 0.50 -4.30 118.16 114.58 1spk n LYS 41 Ca -0.15 -2.61 -0.17 0.00 -0.00 0.00 0.00 58.31 55.38 1spk n LYS 41 Cb 0.53 -3.22 0.09 0.00 0.00 0.00 0.00 35.03 32.43 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1spk n ASP 42 N 5.74 -2.33 0.00 3.14 9.92 -1.26 -2.71 116.55 129.06 1spk n ASP 42 Ca 0.54 -0.63 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 1spk n ASP 42 Cb 0.37 -5.12 0.00 0.00 -0.64 0.00 0.00 41.12 35.73 1spk n ASP 42 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1spk n GLY 43 N -1.14 3.08 3.76 0.44 0.00 -1.26 -5.04 105.19 105.02 1spk n GLY 43 Ca -0.28 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 1spk n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 44 N -0.21 2.53 0.07 1.61 0.52 -1.10 -2.29 118.94 120.07 1spk s TRP 44 Ca 0.00 1.54 0.05 0.00 0.02 0.00 0.00 56.10 57.71 1spk s TRP 44 Cb 0.00 -3.34 -0.03 0.00 -1.15 0.00 0.00 33.47 28.95 1spk s TRP 44 CO 0.00 -1.87 -0.14 -0.51 0.02 0.00 0.00 176.95 174.45 1spk s LEU 45 N -4.20 2.28 0.14 2.99 1.43 0.24 0.19 118.68 121.75 1spk s LEU 45 Ca 0.73 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1spk s LEU 45 Cb -0.25 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.43 1spk s LEU 45 CO 0.33 -0.09 0.09 -0.47 0.23 0.00 0.00 176.35 176.44 1spk s TYR 46 N -1.34 3.10 0.05 0.29 5.04 -1.26 -2.05 117.35 121.18 1spk s TYR 46 Ca -0.02 -0.01 -0.14 0.00 -2.44 0.00 0.00 57.07 54.46 1spk s TYR 46 Cb -0.10 -1.52 0.05 0.00 0.35 0.00 0.00 41.96 40.74 1spk s TYR 46 CO 0.02 0.52 0.63 0.41 -1.34 0.00 0.00 175.55 175.79 1spk n GLY 47 N -0.03 0.69 3.40 8.97 0.00 -1.24 -3.09 105.19 113.89 1spk n GLY 47 Ca -0.09 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 1spk n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1spk s GLU 48 N -2.02 2.60 0.34 1.61 2.12 0.54 -3.35 118.70 120.53 1spk s GLU 48 Ca 0.14 -0.76 -0.27 0.00 0.36 0.00 0.00 54.97 54.45 1spk s GLU 48 Cb -0.01 -2.34 -0.09 0.00 0.26 0.00 0.00 34.13 31.95 1spk s GLU 48 CO 0.02 0.51 1.06 -1.58 -0.54 0.00 0.00 175.26 174.73 1spk s HIS 49 N -0.45 3.45 -0.36 5.30 5.65 -0.49 -0.03 115.29 128.36 1spk s HIS 49 Ca 0.05 1.69 -0.02 0.00 0.25 0.00 0.00 55.06 57.04 1spk s HIS 49 Cb -0.12 -3.18 0.20 0.00 -1.18 0.00 0.00 32.58 28.30 1spk s HIS 49 CO 0.02 -0.51 2.16 -3.47 -0.65 0.00 0.00 174.74 172.29 1spk n ASP 50 N 0.57 6.53 0.00 9.88 2.03 -1.12 -3.55 116.55 130.89 1spk n ASP 50 Ca 0.02 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.21 1spk n ASP 50 Cb 0.47 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1spk n ASP 50 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1spk n THR 51 N 0.39 0.00 0.04 5.18 -1.04 -1.26 -4.91 114.28 112.68 1spk n THR 51 Ca 0.35 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.57 1spk n THR 51 Cb 0.58 0.00 0.66 0.00 -1.82 0.00 0.00 70.33 69.75 1spk n THR 51 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1spk h THR 52 N 0.00 0.24 0.00 12.58 1.35 -1.95 -3.43 112.91 121.70 1spk h THR 52 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1spk h THR 52 Cb 0.00 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1spk h THR 52 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1spk n LYS 53 N -3.49 -0.01 -3.62 4.72 4.01 -1.23 -4.99 118.16 113.54 1spk n LYS 53 Ca 0.10 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.69 1spk n LYS 53 Cb 0.83 -2.85 -0.01 0.00 -0.51 0.00 0.00 35.03 32.48 1spk n LYS 53 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1spk s ALA 54 N -3.44 3.86 -0.06 7.82 0.00 -1.26 -4.79 121.76 123.90 1spk s ALA 54 Ca 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1spk s ALA 54 Cb 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1spk s ALA 54 CO 0.00 0.07 -0.22 1.03 0.00 0.00 0.00 175.76 176.64 1spk s ARG 55 N -4.17 2.54 0.00 0.00 0.52 -1.26 -1.39 118.95 115.19 1spk s ARG 55 Ca 0.38 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 1spk s ARG 55 Cb -0.09 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.16 1spk s ARG 55 CO 0.33 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.50 1spk n GLY 56 N 2.80 4.28 3.49 -3.53 0.00 -1.21 -4.97 105.19 106.04 1spk n GLY 56 Ca -0.17 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 1spk n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1spk s TRP 57 N -1.54 2.88 0.02 1.61 0.52 -0.00 -3.72 118.94 118.71 1spk s TRP 57 Ca 0.00 -0.26 -0.04 0.00 0.02 0.00 0.00 56.10 55.82 1spk s TRP 57 Cb 0.00 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1spk s TRP 57 CO 0.00 0.08 0.05 -0.59 0.02 0.00 0.00 176.95 176.51 1spk s PHE 58 N -0.22 0.19 -0.13 -1.98 -0.12 -0.87 -3.09 117.98 111.76 1spk s PHE 58 Ca 0.02 -0.43 -0.29 0.00 -0.05 0.00 0.00 56.93 56.17 1spk s PHE 58 Cb -0.13 -0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 1spk s PHE 58 CO 0.03 -0.27 1.26 -1.25 -0.05 0.00 0.00 175.22 174.93 1spk s PRO 59 N -1.86 4.27 0.62 1.99 0.04 -1.26 0.81 135.00 139.60 1spk s PRO 59 Ca -0.12 1.68 0.26 0.00 0.04 0.00 0.00 61.00 62.87 1spk s PRO 59 Cb -0.06 -3.71 1.28 0.00 0.04 0.00 0.00 34.50 32.06 1spk s PRO 59 CO -0.02 -0.64 1.72 0.66 0.04 0.00 0.00 177.00 178.77 1spk h SER 60 N 8.02 0.00 0.33 6.66 4.64 -1.74 1.51 113.55 132.96 1spk h SER 60 Ca -0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.91 1spk h SER 60 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1spk h SER 60 CO 0.94 0.00 -0.50 -1.28 -0.87 0.00 0.00 176.83 175.12 1spk h SER 61 N 0.00 0.22 -0.20 4.97 0.87 -1.90 -2.35 113.55 115.17 1spk h SER 61 Ca 0.18 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1spk h SER 61 Cb 1.40 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1spk h SER 61 CO -0.00 0.69 0.00 -1.22 -0.53 0.00 0.00 176.83 175.77 1spk n TYR 62 N -3.95 0.32 -3.88 2.24 4.02 0.51 -4.82 117.16 111.62 1spk n TYR 62 Ca -0.02 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.90 57.62 1spk n TYR 62 Cb 0.54 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.73 1spk n TYR 62 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1spk s THR 63 N -1.69 0.10 0.13 -0.72 -4.23 -0.88 -3.27 115.64 105.08 1spk s THR 63 Ca 0.14 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.85 1spk s THR 63 Cb 0.08 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 1spk s THR 63 CO 0.09 -0.46 -0.09 -1.59 -0.54 0.00 0.00 174.62 172.02 1spk s LYS 64 N -1.99 0.98 0.10 3.99 -2.85 0.51 -4.83 119.74 115.65 1spk s LYS 64 Ca -0.10 -1.38 -0.30 0.00 -1.00 0.00 0.00 55.97 53.19 1spk s LYS 64 Cb -0.04 -0.53 -0.06 0.00 -2.06 0.00 0.00 37.83 35.14 1spk s LYS 64 CO -0.01 0.06 1.12 -0.51 0.10 0.00 0.00 175.35 176.10 1spk s LEU 65 N -3.01 4.42 1.38 2.77 1.43 -1.26 0.84 118.68 125.24 1spk s LEU 65 Ca 0.14 1.99 -0.22 0.00 -1.03 0.00 0.00 54.13 55.01 1spk s LEU 65 Cb 0.02 -3.59 0.34 0.00 0.03 0.00 0.00 46.19 42.99 1spk s LEU 65 CO -0.01 -0.32 0.79 0.18 0.23 0.00 0.00 176.35 177.23 1spk n LEU 66 N 3.22 -0.63 -3.14 1.79 4.77 -0.75 -4.81 117.00 117.45 1spk n LEU 66 Ca 0.06 -0.73 0.03 0.00 -0.03 0.00 0.00 56.01 55.34 1spk n LEU 66 Cb 0.47 -0.99 -0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1spk n LEU 66 CO 0.54 -4.28 0.17 -0.44 -1.33 0.00 0.00 177.39 172.05 1spk s SER 67 N -2.82 -1.37 0.00 -1.43 0.01 -1.26 -5.05 113.70 101.78 1spk s SER 67 Ca 0.62 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1spk s SER 67 Cb -0.12 1.80 0.00 0.00 0.21 0.00 0.00 66.02 67.90 1spk s SER 67 CO 0.54 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1spk n GLY 68 N 4.84 1.81 0.14 3.44 0.00 -1.26 -5.02 105.19 109.14 1spk n GLY 68 Ca 0.08 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.14 1spk n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1spk h PRO 69 N 0.00 0.41 0.00 1.61 0.13 -2.01 -3.47 132.00 128.67 1spk h PRO 69 Ca 0.00 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1spk h PRO 69 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1spk h PRO 69 CO 0.00 1.05 0.00 0.45 -0.23 0.00 0.00 178.00 179.27 1spk n SER 70 N -4.27 -2.93 -4.05 1.44 2.88 -1.26 -5.12 113.62 100.31 1spk n SER 70 Ca -0.10 0.70 -0.25 0.00 -1.33 0.00 0.00 58.87 57.90 1spk n SER 70 Cb 0.62 2.82 -0.16 0.00 -0.75 0.00 0.00 64.21 66.74 1spk n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1spk s SER 71 N -2.57 1.83 0.00 -3.46 0.15 -1.26 -5.12 113.70 103.27 1spk s SER 71 Ca 0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1spk s SER 71 Cb 0.00 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 1spk s SER 71 CO 0.00 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.12