#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 6.22 -0.25 1.61 0.01 -1.26 -5.11 113.70 114.92 1spk s SER 2 Ca 0.00 0.12 -0.13 0.00 1.31 0.00 0.00 55.95 57.24 1spk s SER 2 Cb 0.00 -1.84 0.08 0.00 0.21 0.00 0.00 66.02 64.47 1spk s SER 2 CO 0.00 0.04 0.60 -0.44 0.41 0.00 0.00 173.24 173.85 1spk s SER 3 N -3.28 -0.82 0.00 2.44 0.01 -1.26 -5.13 113.70 105.67 1spk s SER 3 Ca 0.34 1.33 0.00 0.00 1.31 0.00 0.00 55.95 58.93 1spk s SER 3 Cb -0.11 1.28 0.00 0.00 0.21 0.00 0.00 66.02 67.40 1spk s SER 3 CO 0.28 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1spk n GLY 4 N 4.43 0.94 3.61 3.44 0.00 -1.26 -4.92 105.19 111.43 1spk n GLY 4 Ca -0.20 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1spk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1spk s SER 5 N -0.59 6.63 -0.19 1.61 1.04 -1.26 -4.95 113.70 115.99 1spk s SER 5 Ca 0.00 0.81 -0.30 0.00 0.48 0.00 0.00 55.95 56.94 1spk s SER 5 Cb 0.00 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.72 1spk s SER 5 CO 0.00 -1.19 1.11 -0.55 0.98 0.00 0.00 173.24 173.59 1spk s SER 6 N 2.72 -0.26 0.00 7.02 0.15 -1.26 -5.04 113.70 117.03 1spk s SER 6 Ca 0.52 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1spk s SER 6 Cb -0.11 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1spk s SER 6 CO 0.27 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1spk n GLY 7 N 0.59 0.68 3.12 9.45 0.00 -1.26 -5.04 105.19 112.74 1spk n GLY 7 Ca -0.07 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.48 -0.70 -4.80 1.61 3.00 -1.26 -3.95 117.38 110.79 1spk n GLN 8 Ca 0.00 -0.20 -0.31 0.00 -0.01 0.00 0.00 57.00 56.48 1spk n GLN 8 Cb 0.19 -1.30 -0.13 0.00 0.00 0.00 0.00 30.24 29.00 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 -2.62 2.07 0.12 -1.09 1.02 -1.26 -1.12 119.74 116.85 1spk s LYS 9 Ca 0.45 -0.97 0.06 0.00 0.02 0.00 0.00 55.97 55.53 1spk s LYS 9 Cb 0.01 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1spk s LYS 9 CO 0.66 0.55 -0.15 0.14 -0.92 0.00 0.00 175.35 175.63 1spk s VAL 10 N -0.85 1.37 -0.08 3.17 -7.23 -0.86 -1.67 120.40 114.26 1spk s VAL 10 Ca 0.13 -1.71 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1spk s VAL 10 Cb -0.10 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1spk s VAL 10 CO 0.03 -0.39 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.51 1spk s LYS 11 N -2.61 2.33 -0.02 4.82 2.20 0.86 -1.83 119.74 125.49 1spk s LYS 11 Ca 0.09 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 1spk s LYS 11 Cb -0.05 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 1spk s LYS 11 CO 0.03 0.12 1.14 0.95 -0.36 0.00 0.00 175.35 177.23 1spk s THR 12 N 0.46 4.36 -1.08 3.43 -4.23 -0.98 -1.18 115.64 116.41 1spk s THR 12 Ca -0.16 1.68 0.23 0.00 -1.18 0.00 0.00 61.69 62.27 1spk s THR 12 Cb -0.16 -4.08 -0.09 0.00 1.34 0.00 0.00 72.50 69.51 1spk s THR 12 CO 0.06 0.06 1.17 2.30 -0.54 0.00 0.00 174.62 177.67 1spk n ILE 13 N 4.30 0.00 -3.86 2.99 -5.35 -1.17 -0.23 119.36 116.04 1spk n ILE 13 Ca 0.09 -0.02 -0.11 0.00 -0.27 0.00 0.00 62.75 62.44 1spk n ILE 13 Cb 0.47 0.65 -0.10 0.00 -1.74 0.00 0.00 39.64 38.92 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 -2.95 0.02 0.47 4.28 0.08 -1.26 -4.89 117.98 113.73 1spk s PHE 14 Ca 0.11 -0.09 -0.21 0.00 0.12 0.00 0.00 56.93 56.86 1spk s PHE 14 Cb 0.17 -0.04 -0.09 0.00 -0.57 0.00 0.00 43.02 42.50 1spk s PHE 14 CO 0.76 -0.28 1.04 -1.25 -0.10 0.00 0.00 175.22 175.39 1spk s PRO 15 N -1.32 3.85 -0.44 0.24 0.04 -1.26 -4.48 135.00 131.63 1spk s PRO 15 Ca -0.14 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.35 1spk s PRO 15 Cb -0.07 -2.16 0.18 0.00 0.04 0.00 0.00 34.50 32.49 1spk s PRO 15 CO 0.02 -0.39 0.64 -1.58 0.04 0.00 0.00 177.00 175.73 1spk s HIS 16 N -1.94 -1.56 0.37 0.56 2.46 -1.23 -4.99 115.29 108.96 1spk s HIS 16 Ca 0.66 -0.11 -0.25 0.00 0.47 0.00 0.00 55.06 55.83 1spk s HIS 16 Cb -0.17 0.25 -0.10 0.00 -0.13 0.00 0.00 32.58 32.43 1spk s HIS 16 CO 0.21 -1.19 1.00 0.99 -2.47 0.00 0.00 174.74 173.27 1spk s THR 17 N 1.49 4.00 -0.20 0.89 2.01 -1.26 -3.93 115.64 118.63 1spk s THR 17 Ca 0.21 1.55 -0.21 0.00 0.31 0.00 0.00 61.69 63.55 1spk s THR 17 Cb -0.03 -3.82 -0.18 0.00 0.01 0.00 0.00 72.50 68.48 1spk s THR 17 CO -0.06 0.03 0.21 0.00 -0.69 0.00 0.00 174.62 174.11 1spk h ALA 18 N 2.74 0.22 -0.12 7.40 0.00 -1.83 -3.48 119.26 124.19 1spk h ALA 18 Ca -0.48 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.34 1spk h ALA 18 Cb 1.20 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1spk h ALA 18 CO 0.63 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.93 1spk n GLY 19 N 1.47 1.69 0.17 0.00 0.00 -1.26 -3.52 105.19 103.74 1spk n GLY 19 Ca -0.28 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 1spk n GLY 19 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1spk h ASN 20 N 0.00 -0.37 -2.46 1.61 -0.73 -2.00 -3.41 115.58 108.22 1spk h ASN 20 Ca 0.00 0.05 -0.56 0.00 1.87 0.00 0.00 56.30 57.66 1spk h ASN 20 Cb 0.00 0.15 0.06 0.00 0.27 0.00 0.00 38.32 38.80 1spk h ASN 20 CO 0.00 -0.19 0.86 0.59 -0.37 0.00 0.00 177.43 178.33 1spk n ASN 21 N -5.26 3.41 -0.04 1.15 4.13 -1.23 -4.87 115.26 112.55 1spk n ASN 21 Ca -0.06 1.08 -0.04 0.00 1.68 0.00 0.00 54.58 57.24 1spk n ASN 21 Cb 0.18 -1.48 -0.14 0.00 -1.54 0.00 0.00 39.78 36.80 1spk n ASN 21 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1spk n LYS 22 N 3.49 0.66 0.00 3.52 2.85 -1.26 -4.31 118.16 123.10 1spk n LYS 22 Ca 0.16 0.09 -0.09 0.00 -1.05 0.00 0.00 58.31 57.42 1spk n LYS 22 Cb 0.31 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 33.01 1spk n LYS 22 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1spk h THR 23 N 0.00 0.64 -3.94 0.58 1.35 -1.97 -3.41 112.91 106.16 1spk h THR 23 Ca -0.32 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.01 1spk h THR 23 Cb 1.87 0.64 0.08 0.00 -1.73 0.00 0.00 68.15 69.01 1spk h THR 23 CO 0.04 0.00 0.61 -0.76 -0.25 0.00 0.00 175.52 175.16 1spk s LEU 24 N -10.40 4.25 -0.07 3.87 1.43 -1.26 -1.74 118.68 114.75 1spk s LEU 24 Ca -0.14 2.65 -0.21 0.00 -1.03 0.00 0.00 54.13 55.40 1spk s LEU 24 Cb 0.10 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 1spk s LEU 24 CO 0.68 -0.79 0.60 -0.22 0.23 0.00 0.00 176.35 176.85 1spk s LEU 25 N -2.33 4.32 -0.24 1.79 2.96 -1.13 -4.66 118.68 119.39 1spk s LEU 25 Ca 0.56 1.05 -0.16 0.00 -0.22 0.00 0.00 54.13 55.35 1spk s LEU 25 Cb -0.38 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1spk s LEU 25 CO 0.49 -0.04 0.43 -0.94 -1.32 0.00 0.00 176.35 174.98 1spk s SER 26 N 0.56 6.37 0.20 3.68 1.04 -1.26 -4.37 113.70 119.92 1spk s SER 26 Ca 0.32 0.44 -0.19 0.00 0.48 0.00 0.00 55.95 57.00 1spk s SER 26 Cb -0.17 -2.24 0.04 0.00 0.10 0.00 0.00 66.02 63.75 1spk s SER 26 CO 0.15 -0.18 0.58 0.72 0.98 0.00 0.00 173.24 175.48 1spk s PHE 27 N 1.91 -0.23 0.39 5.02 -0.12 -1.25 -4.98 117.98 118.72 1spk s PHE 27 Ca 0.18 -0.11 0.07 0.00 -0.05 0.00 0.00 56.93 57.03 1spk s PHE 27 Cb -0.15 0.49 -0.00 0.00 -0.63 0.00 0.00 43.02 42.72 1spk s PHE 27 CO 0.09 -0.96 0.49 0.00 -0.05 0.00 0.00 175.22 174.79 1spk s ALA 28 N -3.85 4.31 -0.25 1.99 0.00 -1.26 -3.53 121.76 119.17 1spk s ALA 28 Ca 0.08 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.10 1spk s ALA 28 Cb -0.02 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1spk s ALA 28 CO -0.03 -0.17 1.52 -1.14 0.00 0.00 0.00 175.76 175.93 1spk s GLN 29 N -4.23 3.81 0.00 0.00 0.74 -1.26 -2.46 119.66 116.26 1spk s GLN 29 Ca 0.50 1.51 0.00 0.00 0.05 0.00 0.00 55.36 57.42 1spk s GLN 29 Cb -0.08 -3.99 0.00 0.00 1.10 0.00 0.00 33.01 30.03 1spk s GLN 29 CO 0.31 -1.26 0.00 0.41 -0.55 0.00 0.00 175.29 174.20 1spk n GLY 30 N 4.59 0.91 3.54 2.59 0.00 0.68 -4.97 105.19 112.53 1spk n GLY 30 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.35 -4.37 1.61 8.00 -1.03 -4.54 116.55 115.88 1spk n ASP 31 Ca 0.00 0.66 -0.32 0.00 0.71 0.00 0.00 54.79 55.84 1spk n ASP 31 Cb 0.00 -1.30 -0.15 0.00 -0.02 0.00 0.00 41.12 39.65 1spk n ASP 31 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1spk s VAL 32 N -1.80 2.77 0.03 2.53 1.01 -1.26 -2.33 120.40 121.34 1spk s VAL 32 Ca 0.70 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1spk s VAL 32 Cb -0.37 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1spk s VAL 32 CO 0.53 0.56 -0.24 -0.76 0.00 0.00 0.00 175.10 175.19 1spk s LEU 33 N -0.10 2.14 -0.22 3.92 1.43 -0.76 -2.91 118.68 122.18 1spk s LEU 33 Ca -0.03 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.38 1spk s LEU 33 Cb -0.14 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1spk s LEU 33 CO 0.04 0.24 0.39 -0.89 0.23 0.00 0.00 176.35 176.36 1spk s THR 34 N -0.74 5.19 0.43 5.49 2.01 0.75 -2.02 115.64 126.74 1spk s THR 34 Ca 0.10 0.68 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 1spk s THR 34 Cb -0.09 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.61 1spk s THR 34 CO 0.01 0.23 1.18 -0.76 -0.69 0.00 0.00 174.62 174.59 1spk s LEU 35 N 1.49 4.11 -0.09 4.42 1.02 -0.27 0.19 118.68 129.56 1spk s LEU 35 Ca 0.18 2.37 0.00 0.00 0.02 0.00 0.00 54.13 56.70 1spk s LEU 35 Cb -0.15 -4.10 -0.06 0.00 0.02 0.00 0.00 46.19 41.90 1spk s LEU 35 CO 0.08 -0.81 -0.08 0.18 0.02 0.00 0.00 176.35 175.75 1spk n LEU 36 N -0.17 2.91 -4.71 1.79 4.77 -1.23 -4.28 117.00 116.08 1spk n LEU 36 Ca 0.06 -0.04 -0.35 0.00 -0.03 0.00 0.00 56.01 55.64 1spk n LEU 36 Cb 0.47 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 1spk n LEU 36 CO 0.50 0.63 -0.27 0.27 -1.33 0.00 0.00 177.39 177.19 1spk s ILE 37 N -2.17 4.65 -0.89 -0.08 -4.36 -1.26 -4.88 121.20 112.20 1spk s ILE 37 Ca -0.12 -0.11 0.23 0.00 -0.26 0.00 0.00 60.65 60.39 1spk s ILE 37 Cb 0.03 -3.00 0.20 0.00 1.25 0.00 0.00 42.46 40.94 1spk s ILE 37 CO 0.20 0.58 1.71 -0.81 0.24 0.00 0.00 174.94 176.85 1spk n PRO 38 N 2.41 0.06 -3.19 0.37 -0.04 -1.26 -4.78 135.00 128.56 1spk n PRO 38 Ca -0.19 0.18 -0.19 0.00 -0.04 0.00 0.00 63.50 63.26 1spk n PRO 38 Cb 0.54 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -3.06 2.60 -0.01 0.54 0.41 -1.26 -5.13 118.70 112.79 1spk s GLU 39 Ca 0.10 -1.45 0.04 0.00 -0.41 0.00 0.00 54.97 53.24 1spk s GLU 39 Cb 0.13 -2.61 -0.01 0.00 -1.78 0.00 0.00 34.13 29.86 1spk s GLU 39 CO 0.42 -0.42 -0.12 -1.83 -0.49 0.00 0.00 175.26 172.82 1spk s GLU 40 N -4.38 1.02 0.00 1.61 1.03 -1.26 -4.70 118.70 112.02 1spk s GLU 40 Ca 0.54 -0.44 0.00 0.00 0.03 0.00 0.00 54.97 55.10 1spk s GLU 40 Cb -0.07 -0.98 0.00 0.00 -0.80 0.00 0.00 34.13 32.28 1spk s GLU 40 CO 0.33 0.26 0.00 1.63 -1.33 0.00 0.00 175.26 176.14 1spk n LYS 41 N 2.81 0.17 -0.93 -4.83 4.76 0.52 -4.68 118.16 115.99 1spk n LYS 41 Ca -0.14 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.97 1spk n LYS 41 Cb 0.56 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.71 1spk n LYS 41 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1spk n ASP 42 N -1.00 3.49 0.00 4.39 9.92 -1.26 -3.36 116.55 128.73 1spk n ASP 42 Ca 0.00 -2.50 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 1spk n ASP 42 Cb 0.00 -1.08 0.00 0.00 -0.64 0.00 0.00 41.12 39.40 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 4.18 0.75 3.52 0.44 0.00 -1.26 -5.05 105.19 107.76 1spk n GLY 43 Ca 0.46 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.44 2.45 0.05 1.61 0.52 -1.21 -2.13 118.94 117.78 1spk s TRP 44 Ca 0.00 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 55.86 1spk s TRP 44 Cb 0.00 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.17 1spk s TRP 44 CO 0.00 0.61 -0.10 -0.51 0.02 0.00 0.00 176.95 176.98 1spk s LEU 45 N -3.23 2.26 0.19 2.99 1.43 0.45 0.20 118.68 122.95 1spk s LEU 45 Ca 0.27 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1spk s LEU 45 Cb -0.07 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 1spk s LEU 45 CO 0.15 -0.16 0.11 -0.47 0.23 0.00 0.00 176.35 176.21 1spk s TYR 46 N -1.32 3.06 0.00 0.29 5.04 -1.26 -1.81 117.35 121.34 1spk s TYR 46 Ca -0.08 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 1spk s TYR 46 Cb -0.10 -1.45 0.00 0.00 0.35 0.00 0.00 41.96 40.76 1spk s TYR 46 CO 0.01 0.52 0.00 0.41 -1.34 0.00 0.00 175.55 175.15 1spk n GLY 47 N -0.47 -0.95 3.73 8.97 0.00 -1.25 -3.51 105.19 111.72 1spk n GLY 47 Ca -0.08 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 2.71 0.12 1.61 2.12 0.50 -3.29 118.70 120.47 1spk s GLU 48 Ca 0.00 -0.79 -0.16 0.00 0.36 0.00 0.00 54.97 54.38 1spk s GLU 48 Cb 0.00 -2.62 -0.07 0.00 0.26 0.00 0.00 34.13 31.70 1spk s GLU 48 CO 0.00 0.54 0.55 -1.58 -0.54 0.00 0.00 175.26 174.24 1spk s HIS 49 N -1.40 3.67 -0.29 5.30 5.65 -0.82 -0.18 115.29 127.22 1spk s HIS 49 Ca 0.28 1.13 -0.03 0.00 0.25 0.00 0.00 55.06 56.69 1spk s HIS 49 Cb -0.12 -2.41 0.06 0.00 -1.18 0.00 0.00 32.58 28.93 1spk s HIS 49 CO 0.20 0.48 2.57 -3.47 -0.65 0.00 0.00 174.74 173.87 1spk n ASP 50 N 1.09 6.16 0.00 9.88 -0.08 -1.15 -3.48 116.55 128.99 1spk n ASP 50 Ca -0.07 -2.96 0.00 0.00 -1.51 0.00 0.00 54.79 50.25 1spk n ASP 50 Cb 0.51 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 42.78 1spk n ASP 50 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1spk n THR 51 N 1.01 0.00 0.06 5.18 -1.04 -1.26 -4.92 114.28 113.31 1spk n THR 51 Ca 0.36 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.58 1spk n THR 51 Cb 0.61 0.00 0.62 0.00 -1.82 0.00 0.00 70.33 69.74 1spk n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1spk h THR 52 N 0.00 0.18 0.00 12.58 1.03 -1.96 -3.43 112.91 121.31 1spk h THR 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1spk h THR 52 Cb 0.00 0.42 0.00 0.00 -1.07 0.00 0.00 68.15 67.50 1spk h THR 52 CO 0.00 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 175.80 1spk n LYS 53 N -3.36 -0.19 -3.75 0.00 4.01 -1.23 -5.00 118.16 108.64 1spk n LYS 53 Ca 0.10 0.05 -0.30 0.00 -0.51 0.00 0.00 58.31 57.65 1spk n LYS 53 Cb 0.87 -3.12 -0.04 0.00 -0.51 0.00 0.00 35.03 32.24 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 -2.51 3.87 -0.08 7.82 0.00 -1.26 -4.74 121.76 124.85 1spk s ALA 54 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1spk s ALA 54 Cb 0.00 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 1spk s ALA 54 CO 0.00 0.64 -0.11 1.03 0.00 0.00 0.00 175.76 177.32 1spk s ARG 55 N -2.84 2.89 0.00 0.00 0.52 -1.26 -1.95 118.95 116.31 1spk s ARG 55 Ca 0.38 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1spk s ARG 55 Cb -0.12 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.80 1spk s ARG 55 CO 0.27 0.51 0.00 0.41 0.02 0.00 0.00 175.30 176.51 1spk n GLY 56 N 2.68 4.91 3.48 -3.53 0.00 -1.21 -4.97 105.19 106.55 1spk n GLY 56 Ca -0.18 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.12 2.88 0.03 1.61 0.52 -0.71 -3.82 118.94 118.32 1spk s TRP 57 Ca 0.00 -0.29 -0.04 0.00 0.02 0.00 0.00 56.10 55.78 1spk s TRP 57 Cb 0.00 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.51 1spk s TRP 57 CO 0.00 0.05 0.07 -0.59 0.02 0.00 0.00 176.95 176.50 1spk s PHE 58 N -0.15 0.20 -0.19 -1.98 -0.12 -0.75 -2.83 117.98 112.16 1spk s PHE 58 Ca 0.01 -0.47 -0.29 0.00 -0.05 0.00 0.00 56.93 56.12 1spk s PHE 58 Cb -0.13 -0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.09 1spk s PHE 58 CO 0.03 -0.31 1.29 -1.25 -0.05 0.00 0.00 175.22 174.92 1spk s PRO 59 N -2.21 4.17 0.62 1.99 0.04 -1.26 0.17 135.00 138.51 1spk s PRO 59 Ca -0.08 1.60 0.26 0.00 0.04 0.00 0.00 61.00 62.82 1spk s PRO 59 Cb -0.04 -3.80 1.28 0.00 0.04 0.00 0.00 34.50 31.99 1spk s PRO 59 CO -0.03 -0.80 1.72 0.66 0.04 0.00 0.00 177.00 178.59 1spk h SER 60 N 8.48 0.00 0.54 6.66 4.64 -1.69 1.66 113.55 133.84 1spk h SER 60 Ca -0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1spk h SER 60 Cb 1.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 1spk h SER 60 CO 0.98 0.00 -0.54 0.28 -0.87 0.00 0.00 176.83 176.68 1spk h SER 61 N 0.00 0.00 -0.14 4.97 0.02 -1.90 -2.27 113.55 114.23 1spk h SER 61 Ca 0.18 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1spk h SER 61 Cb 1.40 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1spk h SER 61 CO -0.00 0.54 0.00 -1.22 -1.14 0.00 0.00 176.83 175.01 1spk n TYR 62 N -3.90 0.19 -3.93 3.45 4.02 0.57 -4.81 117.16 112.75 1spk n TYR 62 Ca -0.01 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.90 57.68 1spk n TYR 62 Cb 0.55 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.77 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 -1.81 0.11 0.09 -0.72 -4.23 -0.85 -3.03 115.64 105.20 1spk s THR 63 Ca 0.18 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1spk s THR 63 Cb 0.09 -0.52 -0.04 0.00 1.34 0.00 0.00 72.50 73.38 1spk s THR 63 CO 0.14 -0.49 -0.09 -0.54 -0.54 0.00 0.00 174.62 173.09 1spk s LYS 64 N -1.77 0.83 0.14 3.99 1.02 -0.33 -4.84 119.74 118.78 1spk s LYS 64 Ca -0.12 -1.17 -0.31 0.00 0.02 0.00 0.00 55.97 54.39 1spk s LYS 64 Cb -0.06 -0.45 -0.08 0.00 -0.52 0.00 0.00 37.83 36.71 1spk s LYS 64 CO -0.01 0.06 1.40 -0.51 -0.92 0.00 0.00 175.35 175.37 1spk s LEU 65 N -2.52 4.38 1.18 3.17 1.43 -1.26 -0.10 118.68 124.95 1spk s LEU 65 Ca 0.06 2.38 -0.17 0.00 -1.03 0.00 0.00 54.13 55.37 1spk s LEU 65 Cb -0.02 -3.59 0.21 0.00 0.03 0.00 0.00 46.19 42.82 1spk s LEU 65 CO -0.01 -0.66 0.44 0.18 0.23 0.00 0.00 176.35 176.53 1spk n LEU 66 N 3.71 -1.95 -3.45 1.79 4.77 -0.67 -4.83 117.00 116.37 1spk n LEU 66 Ca 0.11 -0.26 -0.25 0.00 -0.03 0.00 0.00 56.01 55.57 1spk n LEU 66 Cb 0.42 -1.03 -0.12 0.00 -2.33 0.00 0.00 43.42 40.36 1spk n LEU 66 CO 0.59 -3.34 -0.28 -0.44 -1.33 0.00 0.00 177.39 172.59 1spk s SER 67 N -2.15 2.60 0.20 -1.43 0.01 -1.26 -5.03 113.70 106.64 1spk s SER 67 Ca 0.60 -1.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.10 1spk s SER 67 Cb -0.16 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 1spk s SER 67 CO 0.62 -0.34 0.17 -0.83 0.41 0.00 0.00 173.24 173.27 1spk s GLY 68 N 1.50 1.29 0.05 3.44 0.00 -1.26 -5.04 107.32 107.30 1spk s GLY 68 Ca 0.15 -1.58 -0.16 0.00 0.00 0.00 0.00 44.72 43.13 1spk s GLY 68 CO -0.11 -1.30 1.19 -0.56 0.00 0.00 0.00 173.10 172.31 1spk h PRO 69 N 2.59 0.59 -2.61 2.90 0.13 -2.00 -3.41 132.00 130.19 1spk h PRO 69 Ca -0.35 -0.58 -0.57 0.00 -0.87 0.00 0.00 66.00 63.64 1spk h PRO 69 Cb 1.25 0.15 -0.39 0.00 0.13 0.00 0.00 31.00 32.13 1spk h PRO 69 CO 0.51 1.19 -0.84 0.45 -0.23 0.00 0.00 178.00 179.09 1spk s SER 70 N -6.97 3.05 0.37 1.44 0.15 -1.26 -5.09 113.70 105.39 1spk s SER 70 Ca -0.12 -2.04 0.00 0.00 0.70 0.00 0.00 55.95 54.50 1spk s SER 70 Cb 0.06 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1spk s SER 70 CO 0.87 -0.33 0.00 -0.24 1.20 0.00 0.00 173.24 174.74 1spk n SER 71 N 4.24 -4.80 0.00 5.45 2.88 -1.26 -5.22 113.62 114.91 1spk n SER 71 Ca 0.09 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 1spk n SER 71 Cb 0.38 -2.85 0.00 0.00 -0.75 0.00 0.00 64.21 60.99 1spk n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42