#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8z s ASP 1 N 0.00 6.73 0.00 7.83 1.47 -1.26 -4.61 116.67 126.82 1d8z s ASP 1 Ca 0.00 2.13 0.00 0.00 1.18 0.00 0.00 52.55 55.86 1d8z s ASP 1 Cb 0.00 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 40.04 1d8z s ASP 1 CO 0.00 -0.89 0.00 -0.24 0.68 0.00 0.00 175.17 174.72 1d8z n SER 2 N 6.97 0.00 -2.62 2.11 2.88 -1.26 -5.03 113.62 116.68 1d8z n SER 2 Ca 0.16 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1d8z n SER 2 Cb 0.43 0.42 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1d8z n SER 2 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1d8z n LYS 3 N -2.38 -3.21 -3.46 -1.46 4.81 -1.26 -3.23 118.16 107.98 1d8z n LYS 3 Ca 0.00 2.60 -0.28 0.00 -0.87 0.00 0.00 58.31 59.76 1d8z n LYS 3 Cb 0.00 -5.04 -0.08 0.00 0.02 0.00 0.00 35.03 29.93 1d8z n LYS 3 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1d8z n THR 4 N 0.63 2.51 -3.97 3.15 -2.24 -1.26 -4.10 114.28 108.99 1d8z n THR 4 Ca 0.00 -5.23 -0.30 0.00 -2.27 0.00 0.00 64.05 56.25 1d8z n THR 4 Cb 0.01 -2.12 -0.16 0.00 -2.10 0.00 0.00 70.33 65.96 1d8z n THR 4 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1d8z s ASN 5 N -2.26 3.45 -0.39 3.42 2.20 -1.26 -4.33 114.94 115.76 1d8z s ASN 5 Ca 0.37 -0.93 0.01 0.00 -0.94 0.00 0.00 52.86 51.37 1d8z s ASN 5 Cb 0.11 -1.19 0.14 0.00 -2.00 0.00 0.00 41.25 38.31 1d8z s ASN 5 CO -0.02 -0.17 0.23 -0.76 -2.94 0.00 0.00 177.10 173.44 1d8z s LEU 6 N 1.42 1.69 -0.16 3.54 2.01 0.28 -2.11 118.68 125.34 1d8z s LEU 6 Ca -0.02 -2.41 -0.17 0.00 0.01 0.00 0.00 54.13 51.53 1d8z s LEU 6 Cb -0.17 -0.65 -0.04 0.00 0.01 0.00 0.00 46.19 45.34 1d8z s LEU 6 CO -0.08 -0.28 0.45 -0.51 1.01 0.00 0.00 176.35 176.94 1d8z s ILE 7 N 0.72 5.18 0.10 -0.59 2.07 0.30 -0.59 121.20 128.40 1d8z s ILE 7 Ca 0.19 0.86 0.02 0.00 -1.41 0.00 0.00 60.65 60.31 1d8z s ILE 7 Cb -0.22 -3.79 -0.04 0.00 0.13 0.00 0.00 42.46 38.55 1d8z s ILE 7 CO -0.01 0.28 0.21 -0.69 -1.91 0.00 0.00 174.94 172.82 1d8z s VAL 8 N 1.01 5.17 0.31 4.00 1.01 -0.55 -1.64 120.40 129.71 1d8z s VAL 8 Ca 0.23 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1d8z s VAL 8 Cb -0.15 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1d8z s VAL 8 CO 0.09 0.04 0.38 0.20 0.00 0.00 0.00 175.10 175.81 1d8z s ASN 9 N -2.78 0.89 -1.22 3.32 -0.87 -1.13 -1.78 114.94 111.36 1d8z s ASN 9 Ca 0.34 -1.48 -0.05 0.00 -1.57 0.00 0.00 52.86 50.09 1d8z s ASN 9 Cb -0.12 0.59 0.01 0.00 -0.02 0.00 0.00 41.25 41.71 1d8z s ASN 9 CO 0.27 -1.16 1.05 -1.22 -2.57 0.00 0.00 177.10 173.47 1d8z n TYR 10 N -0.52 -2.48 -2.75 2.20 4.01 -0.62 -3.26 117.16 113.74 1d8z n TYR 10 Ca 0.02 0.93 -0.40 0.00 -0.16 0.00 0.00 57.90 58.29 1d8z n TYR 10 Cb 0.62 -4.85 -0.05 0.00 -0.31 0.00 0.00 39.34 34.75 1d8z n TYR 10 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1d8z s LEU 11 N -6.64 4.59 0.59 7.72 1.43 -1.07 -4.20 118.68 121.11 1d8z s LEU 11 Ca 0.35 1.88 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 1d8z s LEU 11 Cb -0.15 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1d8z s LEU 11 CO 0.69 0.08 1.02 -2.16 0.23 0.00 0.00 176.35 176.21 1d8z s PRO 12 N -0.73 3.60 0.00 1.29 0.04 -1.26 -4.73 135.00 133.21 1d8z s PRO 12 Ca 0.43 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 1d8z s PRO 12 Cb -0.25 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 1d8z s PRO 12 CO 0.31 -0.56 1.01 -0.56 0.04 0.00 0.00 177.00 177.24 1d8z h GLN 13 N 0.11 -0.01 -0.94 4.56 3.07 -2.01 -1.20 115.11 118.69 1d8z h GLN 13 Ca -0.45 0.00 0.23 0.00 0.09 0.00 0.00 58.65 58.51 1d8z h GLN 13 Cb 1.19 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 28.58 1d8z h GLN 13 CO 0.61 -0.01 -0.10 0.27 0.09 0.00 0.00 178.83 179.69 1d8z n ASN 14 N -2.80 -0.21 -4.59 0.06 2.04 -1.26 -4.40 115.26 104.10 1d8z n ASN 14 Ca -0.00 1.60 -0.48 0.00 -0.44 0.00 0.00 54.58 55.26 1d8z n ASN 14 Cb 0.01 -0.54 -0.03 0.00 -2.53 0.00 0.00 39.78 36.69 1d8z n ASN 14 CO 0.00 0.00 0.00 0.80 -0.44 0.00 0.00 177.26 177.62 1d8z n MET 15 N -5.45 1.27 0.00 -3.83 1.56 -0.46 -4.77 117.12 105.45 1d8z n MET 15 Ca 0.19 0.45 0.00 0.00 -0.27 0.00 0.00 57.70 58.07 1d8z n MET 15 Cb 0.61 -1.94 0.00 0.00 2.15 0.00 0.00 33.22 34.04 1d8z n MET 15 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1d8z n THR 16 N 1.30 0.00 0.18 1.12 5.66 -1.26 -4.80 114.28 116.47 1d8z n THR 16 Ca 0.14 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.16 1d8z n THR 16 Cb 0.27 0.00 0.36 0.00 -1.55 0.00 0.00 70.33 69.40 1d8z n THR 16 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1d8z h GLN 17 N 0.00 0.03 0.06 1.09 4.15 -1.93 0.16 115.11 118.66 1d8z h GLN 17 Ca 0.00 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.23 1d8z h GLN 17 Cb 0.00 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1d8z h GLN 17 CO 0.00 0.38 -0.90 0.38 -1.93 0.00 0.00 178.83 176.75 1d8z h ASP 18 N 0.03 0.19 0.93 -0.69 3.04 -1.95 -2.83 116.42 115.14 1d8z h ASP 18 Ca 0.00 -0.82 0.00 0.00 -3.24 0.00 0.00 57.03 52.97 1d8z h ASP 18 Cb 0.63 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.86 1d8z h ASP 18 CO 0.05 1.39 0.00 -0.08 -2.04 0.00 0.00 179.24 178.55 1d8z h GLU 19 N -0.68 0.00 0.03 4.15 4.81 -1.85 -2.71 114.58 118.33 1d8z h GLU 19 Ca -0.21 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.74 1d8z h GLU 19 Cb 1.42 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 1d8z h GLU 19 CO -0.01 0.00 -1.53 0.35 -0.73 0.00 0.00 179.01 177.09 1d8z h PHE 20 N 0.00 0.12 0.21 0.92 3.57 -0.77 -2.98 116.94 118.01 1d8z h PHE 20 Ca 0.00 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1d8z h PHE 20 Cb 0.47 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1d8z h PHE 20 CO 0.00 1.13 -0.10 -0.22 -2.23 0.00 0.00 178.31 176.89 1d8z h LYS 21 N 0.02 -0.27 -0.47 1.11 3.64 -1.22 -2.98 116.57 116.39 1d8z h LYS 21 Ca -0.22 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1d8z h LYS 21 Cb 1.96 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.82 1d8z h LYS 21 CO 0.11 0.11 0.25 0.66 -2.27 0.00 0.00 179.45 178.31 1d8z h SER 22 N -0.79 0.59 -0.04 4.20 4.64 -1.67 1.02 113.55 121.50 1d8z h SER 22 Ca -0.03 -0.10 0.01 0.00 -0.47 0.00 0.00 61.79 61.20 1d8z h SER 22 Cb 0.51 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1d8z h SER 22 CO 0.05 0.52 -0.17 0.25 -0.87 0.00 0.00 176.83 176.61 1d8z h LEU 23 N 0.61 -0.53 -0.54 5.97 7.12 -1.58 -0.43 115.31 125.94 1d8z h LEU 23 Ca 0.16 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1d8z h LEU 23 Cb 0.07 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1d8z h LEU 23 CO -0.03 -0.15 0.00 0.49 -0.13 0.00 0.00 178.44 178.63 1d8z n PHE 24 N -3.45 0.14 0.07 1.25 3.01 -1.13 -3.68 117.46 113.67 1d8z n PHE 24 Ca -0.02 -0.07 -0.18 0.00 1.01 0.00 0.00 57.45 58.19 1d8z n PHE 24 Cb 0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.44 1d8z n PHE 24 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1d8z h GLY 25 N 5.38 0.33 -3.77 1.37 0.00 0.28 -3.33 103.07 103.33 1d8z h GLY 25 Ca 0.00 -0.85 -0.38 0.00 0.00 0.00 0.00 47.33 46.10 1d8z h GLY 25 CO 0.00 0.75 0.41 1.44 0.00 0.00 0.00 176.54 179.14 1d8z n SER 26 N -3.49 6.50 0.00 0.19 7.64 -0.81 -3.97 113.62 119.68 1d8z n SER 26 Ca -0.18 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.59 1d8z n SER 26 Cb 1.05 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1d8z n SER 26 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1d8z n ILE 27 N 0.47 0.00 -3.53 0.44 5.41 -1.25 -5.10 119.36 115.79 1d8z n ILE 27 Ca 0.36 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 64.02 1d8z n ILE 27 Cb 0.58 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.49 1d8z n ILE 27 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1d8z s GLY 28 N -2.71 -0.46 -1.15 7.39 0.00 -1.25 -4.94 107.32 104.20 1d8z s GLY 28 Ca 0.00 0.57 -0.22 0.00 0.00 0.00 0.00 44.72 45.08 1d8z s GLY 28 CO 0.00 0.19 1.82 -0.35 0.00 0.00 0.00 173.10 174.75 1d8z s ASP 29 N -2.68 5.76 -0.83 1.64 -1.08 -1.26 -4.72 116.67 113.50 1d8z s ASP 29 Ca 0.05 -1.70 -0.22 0.00 -0.52 0.00 0.00 52.55 50.16 1d8z s ASP 29 Cb -0.02 -2.58 -0.18 0.00 -1.46 0.00 0.00 42.92 38.68 1d8z s ASP 29 CO -0.08 -2.27 2.36 -0.38 0.52 0.00 0.00 175.17 175.32 1d8z n ILE 30 N 7.29 -0.00 -0.59 4.11 5.41 -1.26 -2.81 119.36 131.51 1d8z n ILE 30 Ca 0.44 -0.51 0.45 0.00 1.00 0.00 0.00 62.75 64.13 1d8z n ILE 30 Cb 0.47 -1.55 0.69 0.00 -0.71 0.00 0.00 39.64 38.54 1d8z n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1d8z n GLU 31 N 8.05 0.00 -3.25 0.38 -0.58 0.30 -4.11 120.64 121.42 1d8z n GLU 31 Ca 0.52 0.93 0.03 0.00 -0.42 0.00 0.00 57.16 58.22 1d8z n GLU 31 Cb 0.36 -2.16 -0.03 0.00 -0.57 0.00 0.00 31.44 29.04 1d8z n GLU 31 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1d8z s SER 32 N -3.84 -0.46 0.66 1.62 0.15 -1.12 -5.02 113.70 105.69 1d8z s SER 32 Ca -0.04 0.47 -0.03 0.00 0.70 0.00 0.00 55.95 57.05 1d8z s SER 32 Cb 0.22 1.46 0.07 0.00 -1.71 0.00 0.00 66.02 66.06 1d8z s SER 32 CO 0.74 -0.09 0.94 0.00 1.20 0.00 0.00 173.24 176.03 1d8z n LYS 34 N -2.73 0.17 -1.97 0.00 4.81 0.62 -4.93 118.16 114.13 1d8z n LYS 34 Ca 0.10 -0.79 -0.34 0.00 -0.87 0.00 0.00 58.31 56.40 1d8z n LYS 34 Cb 0.60 -0.29 0.03 0.00 0.02 0.00 0.00 35.03 35.40 1d8z n LYS 34 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1d8z s LEU 35 N -0.01 3.57 0.05 3.14 0.20 -1.26 -1.06 118.68 123.31 1d8z s LEU 35 Ca 0.26 2.14 -0.31 0.00 0.69 0.00 0.00 54.13 56.92 1d8z s LEU 35 Cb 0.20 -4.57 -0.07 0.00 -0.43 0.00 0.00 46.19 41.31 1d8z s LEU 35 CO -0.10 -1.50 1.50 -0.69 -0.29 0.00 0.00 176.35 175.27 1d8z s VAL 36 N -2.00 3.36 -0.34 1.68 1.01 -1.06 -4.80 120.40 118.25 1d8z s VAL 36 Ca 0.71 0.82 0.03 0.00 0.00 0.00 0.00 61.98 63.54 1d8z s VAL 36 Cb -0.24 -3.53 0.15 0.00 0.00 0.00 0.00 36.38 32.77 1d8z s VAL 36 CO 0.35 0.01 0.39 -0.60 0.00 0.00 0.00 175.10 175.24 1d8z s ARG 37 N 2.24 0.55 0.99 2.72 6.06 -1.26 -4.20 118.95 126.05 1d8z s ARG 37 Ca 0.68 -0.49 -0.17 0.00 -2.50 0.00 0.00 55.73 53.24 1d8z s ARG 37 Cb -0.36 -0.57 -0.10 0.00 0.06 0.00 0.00 34.95 33.99 1d8z s ARG 37 CO 0.29 -1.13 -0.56 -0.40 -2.50 0.00 0.00 175.30 170.99 1d8z n ASP 38 N 4.67 -4.50 -1.49 -2.12 5.68 -1.25 -4.85 116.55 112.69 1d8z n ASP 38 Ca 0.07 0.18 0.07 0.00 -0.50 0.00 0.00 54.79 54.60 1d8z n ASP 38 Cb 0.47 -0.85 0.34 0.00 -1.14 0.00 0.00 41.12 39.94 1d8z n ASP 38 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1d8z n LYS 39 N 1.22 4.02 0.00 0.11 4.81 -1.26 -4.37 118.16 122.69 1d8z n LYS 39 Ca 0.00 -3.04 0.00 0.00 -0.87 0.00 0.00 58.31 54.40 1d8z n LYS 39 Cb 0.58 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1d8z n LYS 39 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1d8z n ILE 40 N 0.10 0.00 -0.01 3.15 5.41 -1.26 -4.93 119.36 121.82 1d8z n ILE 40 Ca 0.26 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.84 1d8z n ILE 40 Cb 1.09 -0.17 -0.13 0.00 -0.71 0.00 0.00 39.64 39.72 1d8z n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1d8z h THR 41 N 0.00 1.57 0.00 1.39 1.03 -2.00 -3.48 112.91 111.43 1d8z h THR 41 Ca 0.00 -2.22 0.00 0.00 -0.01 0.00 0.00 66.41 64.18 1d8z h THR 41 Cb 0.00 3.00 0.00 0.00 -1.07 0.00 0.00 68.15 70.08 1d8z h THR 41 CO 0.00 0.61 0.00 0.61 -0.01 0.00 0.00 175.52 176.73 1d8z n GLY 42 N 1.34 1.98 3.74 2.99 0.00 -1.26 -5.07 105.19 108.91 1d8z n GLY 42 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1d8z n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1d8z s GLN 43 N -0.13 4.73 0.38 1.61 -0.44 -1.26 -4.81 119.66 119.74 1d8z s GLN 43 Ca 0.00 1.44 -0.24 0.00 -2.50 0.00 0.00 55.36 54.06 1d8z s GLN 43 Cb 0.00 -3.34 -0.10 0.00 -1.64 0.00 0.00 33.01 27.92 1d8z s GLN 43 CO 0.00 0.32 0.96 -1.54 0.50 0.00 0.00 175.29 175.53 1d8z s SER 44 N -0.39 7.10 0.00 6.67 1.04 -1.26 -3.77 113.70 123.09 1d8z s SER 44 Ca 0.44 1.81 0.29 0.00 0.48 0.00 0.00 55.95 58.97 1d8z s SER 44 Cb -0.24 -2.56 1.25 0.00 0.10 0.00 0.00 66.02 64.57 1d8z s SER 44 CO 0.30 -0.24 1.87 0.18 0.98 0.00 0.00 173.24 176.32 1d8z n LEU 45 N 0.00 0.63 -0.07 2.42 4.77 -1.26 -4.89 117.00 118.59 1d8z n LEU 45 Ca 0.04 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1d8z n LEU 45 Cb 0.52 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1d8z n LEU 45 CO 0.42 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1d8z n GLY 46 N 1.23 0.99 3.65 -0.72 0.00 -1.26 -4.99 105.19 104.08 1d8z n GLY 46 Ca 0.16 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 1d8z n GLY 46 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1d8z s TYR 47 N -2.15 -0.03 0.43 1.61 -0.85 -1.26 -1.59 117.35 113.51 1d8z s TYR 47 Ca 0.00 0.07 0.04 0.00 -0.52 0.00 0.00 57.07 56.66 1d8z s TYR 47 Cb 0.00 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 1d8z s TYR 47 CO 0.00 -0.02 0.12 0.20 -1.52 0.00 0.00 175.55 174.33 1d8z s GLY 48 N -0.35 2.72 0.02 5.49 0.00 -0.73 -2.56 107.32 111.91 1d8z s GLY 48 Ca 0.08 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.82 1d8z s GLY 48 CO -0.13 -1.88 -0.25 -1.36 0.00 0.00 0.00 173.10 169.48 1d8z s PHE 49 N -3.15 2.19 -0.04 1.90 0.08 -0.22 -1.48 117.98 117.24 1d8z s PHE 49 Ca 0.20 -0.41 -0.05 0.00 0.12 0.00 0.00 56.93 56.79 1d8z s PHE 49 Cb 0.02 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.13 1d8z s PHE 49 CO 0.13 0.06 0.14 0.08 -0.10 0.00 0.00 175.22 175.53 1d8z s VAL 50 N -0.71 0.02 -0.18 -0.44 1.01 0.25 -0.27 120.40 120.07 1d8z s VAL 50 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1d8z s VAL 50 Cb -0.10 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 36.08 1d8z s VAL 50 CO 0.01 -0.08 -0.04 0.20 0.00 0.00 0.00 175.10 175.19 1d8z s ASN 51 N -0.23 3.05 0.97 3.32 0.01 -1.02 -0.55 114.94 120.49 1d8z s ASN 51 Ca -0.03 -0.79 -0.16 0.00 -0.71 0.00 0.00 52.86 51.17 1d8z s ASN 51 Cb -0.02 -0.92 0.20 0.00 0.41 0.00 0.00 41.25 40.92 1d8z s ASN 51 CO 0.00 -0.21 1.29 -0.31 -1.51 0.00 0.00 177.10 176.36 1d8z s TYR 52 N 1.62 1.59 -0.06 2.20 1.51 -1.26 0.11 117.35 123.06 1d8z s TYR 52 Ca -0.01 0.37 0.07 0.00 -1.01 0.00 0.00 57.07 56.49 1d8z s TYR 52 Cb -0.16 -4.02 -0.24 0.00 -0.11 0.00 0.00 41.96 37.43 1d8z s TYR 52 CO -0.07 -2.71 0.61 1.03 -1.11 0.00 0.00 175.55 173.30 1d8z h SER 53 N -1.69 0.11 -3.57 2.29 0.87 -1.88 -3.37 113.55 106.30 1d8z h SER 53 Ca -0.45 -0.25 -0.40 0.00 -1.23 0.00 0.00 61.79 59.47 1d8z h SER 53 Cb 1.25 -0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 63.03 1d8z h SER 53 CO 0.40 1.22 -0.70 -1.81 -0.53 0.00 0.00 176.83 175.40 1d8z s ASP 54 N -6.36 2.17 0.45 6.23 1.01 -1.26 -4.94 116.67 113.96 1d8z s ASP 54 Ca -0.09 -1.08 0.25 0.00 0.71 0.00 0.00 52.55 52.34 1d8z s ASP 54 Cb 0.08 -0.07 0.61 0.00 1.01 0.00 0.00 42.92 44.55 1d8z s ASP 54 CO 0.81 -0.32 1.70 1.55 0.21 0.00 0.00 175.17 179.12 1d8z h PRO 55 N 2.58 0.00 -0.02 8.23 0.13 -1.70 -2.82 132.00 138.41 1d8z h PRO 55 Ca -0.38 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.55 1d8z h PRO 55 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1d8z h PRO 55 CO 0.64 0.09 -0.77 -0.91 -0.23 0.00 0.00 178.00 176.81 1d8z h ASN 56 N 0.00 0.71 1.04 1.44 -0.26 -1.92 -1.73 115.58 114.86 1d8z h ASN 56 Ca -0.00 -0.74 -0.06 0.00 -0.56 0.00 0.00 56.30 54.94 1d8z h ASN 56 Cb 0.91 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.94 1d8z h ASN 56 CO 0.01 1.35 -0.31 0.44 -1.06 0.00 0.00 177.43 177.86 1d8z h ASP 57 N 0.14 0.00 0.08 5.81 3.32 -1.95 -2.64 116.42 121.18 1d8z h ASP 57 Ca -0.09 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.70 1d8z h ASP 57 Cb 1.45 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.03 1d8z h ASP 57 CO 0.15 0.31 -1.04 0.00 -1.72 0.00 0.00 179.24 176.94 1d8z h ALA 58 N 1.69 0.02 0.00 3.45 0.00 -1.46 -2.71 119.26 120.26 1d8z h ALA 58 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1d8z h ALA 58 Cb 0.91 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1d8z h ALA 58 CO 0.04 0.59 -0.04 0.38 0.00 0.00 0.00 179.25 180.22 1d8z h ASP 59 N 0.16 0.00 0.33 0.00 3.04 -1.25 -2.68 116.42 116.02 1d8z h ASP 59 Ca -0.15 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.33 1d8z h ASP 59 Cb 1.74 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 40.05 1d8z h ASP 59 CO 0.20 0.04 -1.34 0.07 -2.04 0.00 0.00 179.24 176.16 1d8z h LYS 60 N 0.00 0.49 0.00 4.15 5.09 -1.42 -0.54 116.57 124.34 1d8z h LYS 60 Ca -0.00 -0.77 -0.01 0.00 0.09 0.00 0.00 60.65 59.96 1d8z h LYS 60 Cb 0.51 0.28 -0.00 0.00 0.10 0.00 0.00 32.23 33.12 1d8z h LYS 60 CO 0.00 1.36 -0.05 0.00 -2.09 0.00 0.00 179.45 178.67 1d8z h ALA 61 N 0.32 1.08 0.00 0.07 0.00 -1.16 -2.07 119.26 117.50 1d8z h ALA 61 Ca -0.20 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 1d8z h ALA 61 Cb 2.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 1d8z h ALA 61 CO 0.25 0.06 -1.72 -0.89 0.00 0.00 0.00 179.25 176.94 1d8z n ILE 62 N -3.27 1.24 1.92 0.00 5.41 -1.05 -1.68 119.36 121.93 1d8z n ILE 62 Ca -0.01 -0.74 0.12 0.00 1.00 0.00 0.00 62.75 63.12 1d8z n ILE 62 Cb 0.23 -0.70 0.67 0.00 -0.71 0.00 0.00 39.64 39.13 1d8z n ILE 62 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1d8z n ASN 63 N -2.85 0.18 0.00 4.38 6.94 -0.22 -2.28 115.26 121.41 1d8z n ASN 63 Ca -0.16 -1.30 0.00 0.00 -0.02 0.00 0.00 54.58 53.10 1d8z n ASN 63 Cb 0.93 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.35 1d8z n ASN 63 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1d8z n THR 64 N -0.74 0.00 -0.08 5.53 -1.04 -1.02 -4.80 114.28 112.12 1d8z n THR 64 Ca 0.18 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.27 1d8z n THR 64 Cb 0.11 -0.31 0.19 0.00 -1.82 0.00 0.00 70.33 68.50 1d8z n THR 64 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1d8z n LEU 65 N -1.13 3.13 -4.53 -4.42 4.77 -0.68 -4.83 117.00 109.31 1d8z n LEU 65 Ca 0.00 -1.82 -0.43 0.00 -0.03 0.00 0.00 56.01 53.74 1d8z n LEU 65 Cb 0.17 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1d8z n LEU 65 CO 0.00 0.75 1.51 0.21 -1.33 0.00 0.00 177.39 178.54 1d8z s ASN 66 N -1.06 6.70 0.00 -1.43 3.84 -0.97 -2.62 114.94 119.41 1d8z s ASN 66 Ca 0.30 -2.07 0.00 0.00 0.21 0.00 0.00 52.86 51.31 1d8z s ASN 66 Cb 0.16 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1d8z s ASN 66 CO 0.22 -1.22 0.00 0.61 -2.79 0.00 0.00 177.10 173.92 1d8z n GLY 67 N 5.81 0.68 3.78 1.21 0.00 -1.23 -4.81 105.19 110.62 1d8z n GLY 67 Ca 0.36 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1d8z n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d8z s LEU 68 N 0.00 4.42 0.20 0.99 1.43 -0.07 -4.94 118.68 120.70 1d8z s LEU 68 Ca 0.00 1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1d8z s LEU 68 Cb 0.00 -2.80 -0.07 0.00 0.03 0.00 0.00 46.19 43.35 1d8z s LEU 68 CO 0.00 0.15 0.54 -0.54 0.23 0.00 0.00 176.35 176.74 1d8z s LYS 69 N -0.35 3.85 0.43 1.70 1.02 -1.26 -1.07 119.74 124.06 1d8z s LYS 69 Ca 0.28 0.34 0.04 0.00 0.02 0.00 0.00 55.97 56.65 1d8z s LYS 69 Cb -0.17 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 1d8z s LYS 69 CO 0.15 0.38 0.04 -0.51 -0.92 0.00 0.00 175.35 174.49 1d8z s LEU 70 N -2.51 2.41 0.46 3.17 1.43 0.08 -4.88 118.68 118.83 1d8z s LEU 70 Ca 0.44 -1.52 0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1d8z s LEU 70 Cb -0.12 -0.62 1.13 0.00 0.03 0.00 0.00 46.19 46.61 1d8z s LEU 70 CO 0.20 -0.69 2.00 -0.61 0.23 0.00 0.00 176.35 177.48 1d8z h GLN 71 N 1.70 0.27 0.00 1.70 4.15 -2.05 -3.31 115.11 117.57 1d8z h GLN 71 Ca -0.42 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.96 1d8z h GLN 71 Cb 1.27 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 1d8z h GLN 71 CO 0.73 0.18 -0.19 0.25 -1.93 0.00 0.00 178.83 177.87 1d8z n THR 72 N -4.46 0.00 -4.16 2.39 -2.24 -1.26 -5.13 114.28 99.43 1d8z n THR 72 Ca 0.08 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1d8z n THR 72 Cb 0.39 0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 1d8z n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1d8z s LYS 73 N 0.00 1.32 -0.24 -0.78 1.02 -1.25 -5.14 119.74 114.68 1d8z s LYS 73 Ca 0.01 -1.57 -0.01 0.00 0.02 0.00 0.00 55.97 54.43 1d8z s LYS 73 Cb 0.02 0.32 0.07 0.00 -0.52 0.00 0.00 37.83 37.71 1d8z s LYS 73 CO -0.01 -0.47 0.00 0.99 -0.92 0.00 0.00 175.35 174.95 1d8z s THR 74 N -4.07 1.12 0.42 2.17 2.01 -1.26 -0.74 115.64 115.28 1d8z s THR 74 Ca 0.35 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.25 1d8z s THR 74 Cb 0.05 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1d8z s THR 74 CO 0.12 -0.24 0.70 -0.51 -0.69 0.00 0.00 174.62 174.00 1d8z s ILE 75 N 1.57 4.96 -0.28 1.82 2.07 -0.24 -4.76 121.20 126.34 1d8z s ILE 75 Ca -0.01 0.07 -0.17 0.00 -1.41 0.00 0.00 60.65 59.12 1d8z s ILE 75 Cb -0.18 -3.84 0.08 0.00 0.13 0.00 0.00 42.46 38.66 1d8z s ILE 75 CO -0.10 -0.69 0.72 -0.54 -1.91 0.00 0.00 174.94 172.42 1d8z s LYS 76 N -4.42 0.69 0.54 3.50 1.02 -1.20 -0.90 119.74 118.98 1d8z s LYS 76 Ca 0.46 1.16 -0.07 0.00 0.02 0.00 0.00 55.97 57.53 1d8z s LYS 76 Cb -0.10 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1d8z s LYS 76 CO 0.40 -0.14 0.88 0.08 -0.92 0.00 0.00 175.35 175.65 1d8z s VAL 77 N 1.50 4.64 -0.27 3.17 1.01 -1.08 -2.85 120.40 126.52 1d8z s VAL 77 Ca -0.09 0.38 -0.23 0.00 0.00 0.00 0.00 61.98 62.04 1d8z s VAL 77 Cb -0.05 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.60 1d8z s VAL 77 CO -0.18 -0.88 0.73 -0.44 0.00 0.00 0.00 175.10 174.33 1d8z s SER 78 N -4.16 -0.77 0.17 3.32 0.01 -0.65 -4.78 113.70 106.83 1d8z s SER 78 Ca 0.51 1.43 -0.33 0.00 1.31 0.00 0.00 55.95 58.87 1d8z s SER 78 Cb -0.11 1.43 -0.13 0.00 0.21 0.00 0.00 66.02 67.43 1d8z s SER 78 CO 0.48 -0.24 1.67 -1.22 0.41 0.00 0.00 173.24 174.34 1d8z n TYR 79 N 2.97 2.52 -2.09 2.43 4.01 -1.26 -0.54 117.16 125.20 1d8z n TYR 79 Ca -0.15 0.13 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1d8z n TYR 79 Cb 0.56 -2.62 -0.03 0.00 -0.31 0.00 0.00 39.34 36.94 1d8z n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1d8z s ALA 80 N 1.24 2.70 0.26 -0.72 0.00 -0.90 -4.55 121.76 119.80 1d8z s ALA 80 Ca 0.78 -0.10 0.11 0.00 0.00 0.00 0.00 51.96 52.75 1d8z s ALA 80 Cb -0.59 -4.08 -0.05 0.00 0.00 0.00 0.00 23.12 18.40 1d8z s ALA 80 CO 0.36 -2.95 -0.19 -0.98 0.00 0.00 0.00 175.76 172.00 1d8z s ARG 81 N 5.91 1.58 0.87 0.00 3.03 -1.26 -4.74 118.95 124.34 1d8z s ARG 81 Ca 0.72 -1.71 -0.12 0.00 2.03 0.00 0.00 55.73 56.64 1d8z s ARG 81 Cb -0.18 -1.61 0.12 0.00 -1.03 0.00 0.00 34.95 32.25 1d8z s ARG 81 CO 0.30 0.30 1.17 -1.25 -1.13 0.00 0.00 175.30 174.68 1d8z s PRO 82 N -3.50 1.46 0.98 3.89 0.04 -1.26 -5.00 135.00 131.61 1d8z s PRO 82 Ca 0.28 0.16 -0.15 0.00 0.04 0.00 0.00 61.00 61.33 1d8z s PRO 82 Cb -0.04 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1d8z s PRO 82 CO 0.13 -1.95 -0.01 0.45 0.04 0.00 0.00 177.00 175.66 1d8z n SER 83 N -3.57 -3.20 0.09 6.66 2.88 -1.26 -4.81 113.62 110.41 1d8z n SER 83 Ca 0.08 0.24 0.03 0.00 -1.33 0.00 0.00 58.87 57.90 1d8z n SER 83 Cb 0.60 -1.05 0.43 0.00 -0.75 0.00 0.00 64.21 63.44 1d8z n SER 83 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1d8z h SER 84 N -1.44 0.29 -4.51 -3.46 0.02 -2.08 -3.47 113.55 98.91 1d8z h SER 84 Ca -0.44 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.36 1d8z h SER 84 Cb 1.30 -0.07 0.09 0.00 0.14 0.00 0.00 62.40 63.85 1d8z h SER 84 CO 0.31 0.34 -0.38 0.00 -1.14 0.00 0.00 176.83 175.95 1d8z n ALA 85 N -2.49 -1.84 -1.77 3.77 0.00 -1.26 -5.04 120.51 111.88 1d8z n ALA 85 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1d8z n ALA 85 Cb 0.18 -2.99 0.06 0.00 0.00 0.00 0.00 19.45 16.70 1d8z n ALA 85 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1d8z n SER 86 N -2.26 0.23 0.12 0.00 3.41 -1.26 -5.06 113.62 108.79 1d8z n SER 86 Ca -0.03 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 1d8z n SER 86 Cb 0.55 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1d8z n SER 86 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1d8z n ILE 87 N -2.34 0.00 1.00 -1.33 2.08 -1.26 -5.28 119.36 112.24 1d8z n ILE 87 Ca 0.06 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.49 1d8z n ILE 87 Cb 0.21 -0.31 0.10 0.00 -0.75 0.00 0.00 39.64 38.89 1d8z n ILE 87 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97