#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pph n SER 2 N 0.00 -5.57 -1.11 1.08 7.64 -1.26 -5.03 113.62 109.37 2pph n SER 2 Ca 0.00 1.13 0.14 0.00 1.01 0.00 0.00 58.87 61.14 2pph n SER 2 Cb 0.00 -2.90 -0.07 0.00 -1.01 0.00 0.00 64.21 60.23 2pph n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2pph n ASP 3 N -1.95 -6.18 -3.76 6.43 8.00 -1.26 -4.92 116.55 112.92 2pph n ASP 3 Ca 0.00 1.05 -0.13 0.00 0.71 0.00 0.00 54.79 56.43 2pph n ASP 3 Cb 0.25 -3.78 -0.13 0.00 -0.02 0.00 0.00 41.12 37.43 2pph n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pph s VAL 4 N -3.78 -0.03 -0.43 2.53 1.01 0.19 -4.67 120.40 115.22 2pph s VAL 4 Ca 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2pph s VAL 4 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.12 2pph s VAL 4 CO 0.00 0.05 0.84 -0.13 0.00 0.00 0.00 175.10 175.86 2pph s ARG 5 N 0.91 3.55 -0.26 2.72 3.00 -1.26 -1.01 118.95 126.60 2pph s ARG 5 Ca -0.07 0.12 -0.07 0.00 0.00 0.00 0.00 55.73 55.72 2pph s ARG 5 Cb -0.08 -3.90 -0.01 0.00 0.00 0.00 0.00 34.95 30.95 2pph s ARG 5 CO -0.05 -1.08 0.06 0.42 0.00 0.00 0.00 175.30 174.64 2pph s ILE 6 N 3.42 4.08 -0.24 1.52 1.01 -0.55 -2.22 121.20 128.23 2pph s ILE 6 Ca 0.33 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.47 2pph s ILE 6 Cb -0.12 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2pph s ILE 6 CO 0.22 0.27 0.32 -0.54 0.00 0.00 0.00 174.94 175.21 2pph s LYS 7 N 1.56 4.08 -0.14 2.79 1.02 -0.69 -2.30 119.74 126.06 2pph s LYS 7 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.04 2pph s LYS 7 Cb -0.16 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 2pph s LYS 7 CO 0.02 -0.11 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.14 2pph s PHE 8 N 1.54 2.78 -0.07 3.18 0.08 -0.63 -2.80 117.98 122.06 2pph s PHE 8 Ca 0.14 -0.90 0.05 0.00 0.12 0.00 0.00 56.93 56.33 2pph s PHE 8 Cb -0.15 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.43 2pph s PHE 8 CO 0.08 -0.38 -0.22 -2.00 -0.10 0.00 0.00 175.22 172.60 2pph s GLU 9 N 0.64 2.50 -0.14 0.44 2.12 -1.19 0.23 118.70 123.30 2pph s GLU 9 Ca -0.08 -0.78 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 2pph s GLU 9 Cb -0.16 -2.01 0.07 0.00 0.26 0.00 0.00 34.13 32.29 2pph s GLU 9 CO 0.03 0.24 0.24 -1.58 -0.54 0.00 0.00 175.26 173.64 2pph s HIS 10 N 0.17 -0.36 -1.63 5.30 2.46 -0.01 -3.47 115.29 117.75 2pph s HIS 10 Ca -0.11 0.72 -0.03 0.00 0.47 0.00 0.00 55.06 56.12 2pph s HIS 10 Cb -0.15 -0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.15 2pph s HIS 10 CO 0.05 -0.42 0.38 -1.71 -2.47 0.00 0.00 174.74 170.58 2pph n ASN 11 N 5.34 -5.99 0.00 9.88 2.85 -1.26 -1.22 115.26 124.86 2pph n ASN 11 Ca -0.06 -0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 2pph n ASN 11 Cb 0.50 -4.90 0.00 0.00 1.24 0.00 0.00 39.78 36.62 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pph n GLY 12 N -1.33 2.22 3.55 8.20 0.00 -1.26 -5.01 105.19 111.57 2pph n GLY 12 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2pph n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pph s GLU 13 N -0.49 3.47 -0.04 1.61 0.41 -0.36 -5.04 118.70 118.27 2pph s GLU 13 Ca 0.00 -0.02 -0.04 0.00 -0.41 0.00 0.00 54.97 54.50 2pph s GLU 13 Cb 0.00 -3.92 -0.04 0.00 -1.78 0.00 0.00 34.13 28.39 2pph s GLU 13 CO 0.00 -1.08 0.18 -0.98 -0.49 0.00 0.00 175.26 172.89 2pph s ARG 14 N 3.30 3.46 0.05 1.61 1.70 -1.26 -0.83 118.95 126.98 2pph s ARG 14 Ca 0.31 -0.24 0.04 0.00 -0.47 0.00 0.00 55.73 55.37 2pph s ARG 14 Cb -0.12 -3.12 -0.03 0.00 -0.57 0.00 0.00 34.95 31.11 2pph s ARG 14 CO 0.22 0.70 -0.11 1.03 -1.08 0.00 0.00 175.30 176.06 2pph s ARG 15 N -1.67 0.67 -0.27 3.89 0.52 0.14 -4.98 118.95 117.24 2pph s ARG 15 Ca 0.24 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.60 2pph s ARG 15 Cb -0.13 -0.55 0.04 0.00 0.52 0.00 0.00 34.95 34.84 2pph s ARG 15 CO 0.14 0.11 -0.05 0.42 0.02 0.00 0.00 175.30 175.95 2pph s ILE 16 N -1.31 2.79 -0.04 1.52 1.09 -1.26 -1.61 121.20 122.38 2pph s ILE 16 Ca -0.06 -1.23 0.06 0.00 -1.10 0.00 0.00 60.65 58.31 2pph s ILE 16 Cb -0.10 -2.51 -0.01 0.00 -1.06 0.00 0.00 42.46 38.78 2pph s ILE 16 CO 0.01 0.07 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.08 2pph s ILE 17 N 1.27 1.69 -0.16 2.92 1.09 -0.97 -5.02 121.20 122.02 2pph s ILE 17 Ca -0.03 -0.88 -0.15 0.00 -1.10 0.00 0.00 60.65 58.49 2pph s ILE 17 Cb -0.18 -1.43 -0.04 0.00 -1.06 0.00 0.00 42.46 39.75 2pph s ILE 17 CO -0.04 0.48 0.34 0.00 -0.10 0.00 0.00 174.94 175.62 2pph s ALA 18 N -0.20 3.56 -0.10 9.38 0.00 -1.26 -1.48 121.76 131.66 2pph s ALA 18 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.57 2pph s ALA 18 Cb -0.11 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.55 2pph s ALA 18 CO 0.02 0.03 -0.16 -0.06 0.00 0.00 0.00 175.76 175.58 2pph s PHE 19 N 0.60 2.02 0.25 0.00 0.40 -0.18 -4.93 117.98 116.14 2pph s PHE 19 Ca 0.19 -0.92 -0.30 0.00 -0.60 0.00 0.00 56.93 55.29 2pph s PHE 19 Cb -0.14 -1.44 -0.10 0.00 0.51 0.00 0.00 43.02 41.86 2pph s PHE 19 CO 0.06 -0.46 1.39 -1.54 0.70 0.00 0.00 175.22 175.37 2pph s SER 20 N 0.87 6.72 -0.00 1.36 1.04 -1.26 0.57 113.70 123.00 2pph s SER 20 Ca -0.09 2.62 -0.02 0.00 0.48 0.00 0.00 55.95 58.94 2pph s SER 20 Cb -0.15 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 2pph s SER 20 CO 0.00 -0.64 0.17 0.00 0.98 0.00 0.00 173.24 173.76 2pph s ARG 21 N -0.56 3.39 -0.10 4.02 1.70 -1.26 -2.43 118.95 123.70 2pph s ARG 21 Ca 0.57 -0.35 -0.30 0.00 -0.47 0.00 0.00 55.73 55.18 2pph s ARG 21 Cb -0.40 -3.06 -0.02 0.00 -0.57 0.00 0.00 34.95 30.89 2pph s ARG 21 CO 0.44 0.67 1.18 -1.25 -1.08 0.00 0.00 175.30 175.26 2pph s PRO 22 N -1.95 4.32 -0.02 3.89 0.04 -1.26 -4.69 135.00 135.33 2pph s PRO 22 Ca 0.27 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.65 2pph s PRO 22 Cb -0.13 -3.62 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 2pph s PRO 22 CO 0.19 -0.52 0.87 0.54 0.04 0.00 0.00 177.00 178.12 2pph s VAL 23 N 2.60 4.94 0.19 -0.36 0.11 -1.02 -5.05 120.40 121.81 2pph s VAL 23 Ca 0.54 1.82 -0.14 0.00 -2.93 0.00 0.00 61.98 61.27 2pph s VAL 23 Cb -0.22 -4.21 -0.07 0.00 -1.53 0.00 0.00 36.38 30.34 2pph s VAL 23 CO 0.18 0.20 0.58 -0.75 -3.33 0.00 0.00 175.10 171.98 2pph s LYS 24 N 0.92 3.97 0.34 1.54 2.47 -1.26 -4.98 119.74 122.74 2pph s LYS 24 Ca 0.46 0.50 0.04 0.00 -1.56 0.00 0.00 55.97 55.42 2pph s LYS 24 Cb -0.20 -2.82 0.68 0.00 -1.46 0.00 0.00 37.83 34.02 2pph s LYS 24 CO 0.24 0.41 1.93 -0.92 0.16 0.00 0.00 175.35 177.17 2pph h TYR 25 N 3.22 0.87 -0.58 4.03 3.20 -1.96 -1.59 116.97 124.16 2pph h TYR 25 Ca -0.48 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 2pph h TYR 25 Cb 1.19 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 2pph h TYR 25 CO 0.64 0.44 0.33 1.49 -1.64 0.00 0.00 178.16 179.42 2pph h GLU 26 N 0.85 0.80 -0.53 1.82 4.81 -1.99 0.54 114.58 120.87 2pph h GLU 26 Ca 0.36 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2pph h GLU 26 Cb 0.31 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 2pph h GLU 26 CO -0.13 0.60 -0.08 0.22 -0.73 0.00 0.00 179.01 178.88 2pph h ASP 27 N 0.79 0.97 -0.06 1.04 3.58 -1.74 -1.60 116.42 119.40 2pph h ASP 27 Ca 0.21 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2pph h ASP 27 Cb 0.02 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.81 2pph h ASP 27 CO -0.04 1.07 -0.02 0.58 -2.88 0.00 0.00 179.24 177.95 2pph h VAL 28 N 0.88 1.31 -0.57 2.25 2.07 -1.02 -2.36 116.25 118.81 2pph h VAL 28 Ca 0.14 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.71 2pph h VAL 28 Cb 0.63 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2pph h VAL 28 CO 0.04 0.27 0.34 -0.08 0.02 0.00 0.00 177.57 178.17 2pph h GLU 29 N -0.25 0.66 -0.71 1.57 4.81 -0.88 -0.32 114.58 119.46 2pph h GLU 29 Ca 0.01 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2pph h GLU 29 Cb 0.44 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2pph h GLU 29 CO 0.01 0.44 0.47 0.45 -0.73 0.00 0.00 179.01 179.65 2pph h HIS 30 N 0.68 0.89 -0.06 0.92 3.86 -1.28 0.30 115.15 120.46 2pph h HIS 30 Ca 0.23 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.42 2pph h HIS 30 Cb 0.02 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 2pph h HIS 30 CO -0.06 0.56 -0.10 -0.22 0.86 0.00 0.00 177.93 178.97 2pph h LYS 31 N 0.96 0.18 -0.28 2.45 3.11 -0.82 -2.34 116.57 119.83 2pph h LYS 31 Ca 0.26 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 57.96 2pph h LYS 31 Cb -0.11 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.12 2pph h LYS 31 CO -0.06 0.67 0.03 0.28 -2.81 0.00 0.00 179.45 177.57 2pph h VAL 32 N -0.30 1.24 -0.85 2.00 2.07 -0.81 -1.79 116.25 117.81 2pph h VAL 32 Ca 0.00 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2pph h VAL 32 Cb 0.66 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2pph h VAL 32 CO 0.02 0.27 0.50 0.00 0.02 0.00 0.00 177.57 178.38 2pph h THR 33 N 0.28 1.24 -0.18 2.57 1.03 -0.49 -1.08 112.91 116.28 2pph h THR 33 Ca 0.08 -0.54 -0.12 0.00 -0.01 0.00 0.00 66.41 65.83 2pph h THR 33 Cb 0.36 0.06 0.00 0.00 -1.07 0.00 0.00 68.15 67.50 2pph h THR 33 CO 0.01 0.25 -0.34 0.74 -0.01 0.00 0.00 175.52 176.17 2pph h THR 34 N 1.17 1.34 0.04 0.00 2.02 -1.33 0.53 112.91 116.68 2pph h THR 34 Ca 0.30 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.91 2pph h THR 34 Cb -0.03 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2pph h THR 34 CO -0.05 0.48 -0.02 0.58 0.37 0.00 0.00 175.52 176.88 2pph h VAL 35 N 0.21 1.13 0.00 3.16 2.07 -1.16 -3.11 116.25 118.56 2pph h VAL 35 Ca 0.01 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2pph h VAL 35 Cb 0.93 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2pph h VAL 35 CO 0.08 0.14 -0.25 0.49 0.02 0.00 0.00 177.57 178.05 2pph n PHE 36 N -5.00 0.53 -1.76 1.57 3.72 -0.42 -4.94 117.46 111.16 2pph n PHE 36 Ca -0.08 0.16 -0.14 0.00 -0.05 0.00 0.00 57.45 57.33 2pph n PHE 36 Cb 0.15 -0.69 -0.04 0.00 -0.94 0.00 0.00 39.48 37.96 2pph n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pph n GLY 37 N 1.38 0.80 3.34 1.37 0.00 0.18 -4.99 105.19 107.27 2pph n GLY 37 Ca 0.05 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 2pph n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pph s GLN 38 N -3.83 0.74 -1.14 1.61 -1.52 -0.82 -4.99 119.66 109.70 2pph s GLN 38 Ca 0.00 0.15 -0.18 0.00 -1.95 0.00 0.00 55.36 53.38 2pph s GLN 38 Cb 0.00 0.34 -0.05 0.00 -0.22 0.00 0.00 33.01 33.08 2pph s GLN 38 CO 0.00 -0.19 2.04 -0.35 -0.25 0.00 0.00 175.29 176.54 2pph n PRO 39 N 1.60 2.22 -2.56 2.91 -0.04 -1.26 -4.16 135.00 133.71 2pph n PRO 39 Ca -0.19 -2.34 -0.42 0.00 -0.04 0.00 0.00 63.50 60.52 2pph n PRO 39 Cb 0.56 -3.19 -0.03 0.00 -0.04 0.00 0.00 33.50 30.80 2pph n PRO 39 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pph s LEU 40 N 2.67 4.41 0.26 1.53 1.02 -1.26 -4.40 118.68 122.90 2pph s LEU 40 Ca 0.54 1.89 -0.30 0.00 0.02 0.00 0.00 54.13 56.28 2pph s LEU 40 Cb 0.12 -3.58 -0.09 0.00 0.02 0.00 0.00 46.19 42.66 2pph s LEU 40 CO 0.03 -0.31 1.02 -0.62 0.02 0.00 0.00 176.35 176.49 2pph s ASP 41 N 0.72 7.44 -0.27 2.29 -1.08 -0.76 -4.84 116.67 120.17 2pph s ASP 41 Ca 0.54 2.12 -0.27 0.00 -0.52 0.00 0.00 52.55 54.41 2pph s ASP 41 Cb -0.26 -2.62 0.01 0.00 -1.46 0.00 0.00 42.92 38.59 2pph s ASP 41 CO 0.30 -0.01 0.96 -0.76 0.52 0.00 0.00 175.17 176.19 2pph s LEU 42 N -1.34 4.05 -0.20 -1.34 1.43 -1.26 -3.42 118.68 116.60 2pph s LEU 42 Ca 0.43 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.62 2pph s LEU 42 Cb -0.29 -3.39 0.01 0.00 0.03 0.00 0.00 46.19 42.55 2pph s LEU 42 CO 0.37 -0.68 -0.14 -1.00 0.23 0.00 0.00 176.35 175.13 2pph s HIS 43 N 3.20 2.86 -0.31 0.29 3.76 -0.97 -0.06 115.29 124.08 2pph s HIS 43 Ca 0.40 -1.41 -0.20 0.00 -0.15 0.00 0.00 55.06 53.71 2pph s HIS 43 Cb -0.14 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 2pph s HIS 43 CO 0.10 -0.72 0.62 -0.47 -0.85 0.00 0.00 174.74 173.42 2pph s TYR 44 N 1.35 3.21 -0.20 1.40 5.04 0.20 -0.49 117.35 127.86 2pph s TYR 44 Ca 0.05 0.55 0.01 0.00 -2.44 0.00 0.00 57.07 55.24 2pph s TYR 44 Cb -0.14 -2.98 0.04 0.00 0.35 0.00 0.00 41.96 39.23 2pph s TYR 44 CO -0.09 -0.47 -0.13 -1.64 -1.34 0.00 0.00 175.55 171.88 2pph s MET 45 N 2.59 2.30 0.00 4.97 -1.94 -1.18 0.04 119.30 126.07 2pph s MET 45 Ca 0.25 -0.89 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 2pph s MET 45 Cb -0.15 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 34.20 2pph s MET 45 CO 0.12 -0.38 0.00 0.09 -0.01 0.00 0.00 175.02 174.84 2pph n ASN 46 N 4.64 0.00 0.03 3.03 3.02 -1.11 -4.74 115.26 120.13 2pph n ASN 46 Ca -0.16 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2pph n ASN 46 Cb 0.47 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 2pph n ASN 46 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pph n ASN 47 N -1.87 0.04 -0.11 6.41 4.13 -1.26 -4.94 115.26 117.66 2pph n ASN 47 Ca 0.00 0.11 0.07 0.00 1.68 0.00 0.00 54.58 56.44 2pph n ASN 47 Cb 0.00 0.06 0.10 0.00 -1.54 0.00 0.00 39.78 38.40 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2pph n GLU 48 N -2.76 1.32 -4.45 3.52 1.02 -1.26 -5.02 120.64 113.00 2pph n GLU 48 Ca 0.00 -2.22 -0.20 0.00 -0.02 0.00 0.00 57.16 54.72 2pph n GLU 48 Cb 0.00 -1.30 -0.15 0.00 -0.02 0.00 0.00 31.44 29.97 2pph n GLU 48 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2pph s LEU 49 N -2.25 1.93 -0.15 -4.62 2.96 -1.26 -5.14 118.68 110.15 2pph s LEU 49 Ca 0.24 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2pph s LEU 49 Cb 0.21 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 46.34 2pph s LEU 49 CO 0.02 0.11 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.54 2pph s SER 50 N -0.07 2.90 -0.12 3.68 0.01 -1.26 -2.76 113.70 116.08 2pph s SER 50 Ca 0.01 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.72 2pph s SER 50 Cb -0.06 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 2pph s SER 50 CO 0.00 0.01 -0.14 -0.63 0.41 0.00 0.00 173.24 172.90 2pph s ILE 51 N 1.13 2.99 -0.15 1.44 1.09 0.11 -4.95 121.20 122.86 2pph s ILE 51 Ca -0.01 -0.69 -0.18 0.00 -1.10 0.00 0.00 60.65 58.67 2pph s ILE 51 Cb -0.14 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 38.98 2pph s ILE 51 CO -0.07 0.53 0.48 -0.22 -0.10 0.00 0.00 174.94 175.56 2pph s LEU 52 N 0.22 4.23 -0.90 2.97 0.20 -1.26 0.58 118.68 124.72 2pph s LEU 52 Ca -0.09 0.74 -0.17 0.00 0.69 0.00 0.00 54.13 55.30 2pph s LEU 52 Cb -0.15 -2.67 0.16 0.00 -0.43 0.00 0.00 46.19 43.09 2pph s LEU 52 CO 0.05 -0.06 1.01 -0.76 -0.29 0.00 0.00 176.35 176.30 2pph s LEU 53 N 0.98 5.61 -0.08 -0.68 1.02 0.92 -4.80 118.68 121.65 2pph s LEU 53 Ca 0.25 -2.25 0.10 0.00 0.02 0.00 0.00 54.13 52.24 2pph s LEU 53 Cb -0.15 -2.34 -0.24 0.00 0.02 0.00 0.00 46.19 43.49 2pph s LEU 53 CO 0.10 -0.90 0.51 1.17 0.02 0.00 0.00 176.35 177.24 2pph n LYS 54 N 5.70 0.66 -4.42 1.70 4.81 -1.26 -4.31 118.16 121.04 2pph n LYS 54 Ca 0.21 0.25 -0.22 0.00 -0.87 0.00 0.00 58.31 57.67 2pph n LYS 54 Cb 0.48 -1.73 -0.09 0.00 0.02 0.00 0.00 35.03 33.71 2pph n LYS 54 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2pph s ASN 55 N -6.16 2.13 0.42 3.14 2.20 -1.26 -5.04 114.94 110.36 2pph s ASN 55 Ca -0.09 -1.55 0.10 0.00 -0.94 0.00 0.00 52.86 50.38 2pph s ASN 55 Cb 0.08 0.32 0.89 0.00 -2.00 0.00 0.00 41.25 40.54 2pph s ASN 55 CO 0.81 -0.84 1.99 1.56 -2.94 0.00 0.00 177.10 177.69 2pph h GLN 56 N 2.05 0.25 -0.85 3.55 1.08 -2.00 -2.65 115.11 116.55 2pph h GLN 56 Ca -0.36 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 56.91 2pph h GLN 56 Cb 1.26 -0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.56 2pph h GLN 56 CO 0.58 0.30 0.48 0.22 -0.95 0.00 0.00 178.83 179.45 2pph h ASP 57 N 0.25 0.66 -0.27 1.46 1.82 -1.99 0.52 116.42 118.86 2pph h ASP 57 Ca 0.06 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2pph h ASP 57 Cb 0.21 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 2pph h ASP 57 CO 0.01 0.35 0.06 -0.78 -1.61 0.00 0.00 179.24 177.27 2pph h ASP 58 N 0.76 0.42 -0.73 2.28 3.58 -1.83 -1.71 116.42 119.19 2pph h ASP 58 Ca 0.43 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2pph h ASP 58 Cb 0.46 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 2pph h ASP 58 CO -0.28 0.54 0.39 0.25 -2.88 0.00 0.00 179.24 177.26 2pph h LEU 59 N 0.27 0.92 -0.75 2.28 5.85 -1.37 -1.70 115.31 120.81 2pph h LEU 59 Ca 0.09 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2pph h LEU 59 Cb 0.29 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2pph h LEU 59 CO 0.00 0.76 0.42 -0.78 -0.34 0.00 0.00 178.44 178.50 2pph h ASP 60 N 1.00 0.94 -0.72 1.25 3.58 -0.79 -2.18 116.42 119.51 2pph h ASP 60 Ca 0.25 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.55 2pph h ASP 60 Cb 0.06 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 2pph h ASP 60 CO -0.04 0.76 0.23 0.50 -2.88 0.00 0.00 179.24 177.81 2pph h LYS 61 N 1.04 1.12 -0.70 0.28 3.11 -0.93 -2.65 116.57 117.84 2pph h LYS 61 Ca 0.27 -0.23 -0.04 0.00 -2.81 0.00 0.00 60.65 57.83 2pph h LYS 61 Cb 0.03 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.06 2pph h LYS 61 CO -0.04 0.95 0.29 0.00 -2.81 0.00 0.00 179.45 177.83 2pph h ALA 62 N 1.17 1.19 -0.44 5.00 0.00 -0.87 -2.71 119.26 122.59 2pph h ALA 62 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2pph h ALA 62 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2pph h ALA 62 CO -0.01 0.59 0.12 0.82 0.00 0.00 0.00 179.25 180.77 2pph h ILE 63 N 1.01 1.23 -0.81 0.00 2.04 -1.12 -2.11 117.51 117.74 2pph h ILE 63 Ca 0.24 -0.78 0.08 0.00 1.00 0.00 0.00 64.86 65.40 2pph h ILE 63 Cb 0.18 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 2pph h ILE 63 CO -0.02 0.28 0.48 -0.78 0.00 0.00 0.00 178.15 178.10 2pph h ASP 64 N 0.57 0.71 -0.28 1.72 1.82 -1.21 -0.58 116.42 119.18 2pph h ASP 64 Ca 0.14 0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 2pph h ASP 64 Cb 0.30 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 2pph h ASP 64 CO -0.00 0.43 0.00 0.40 -1.61 0.00 0.00 179.24 178.46 2pph h ILE 65 N 0.83 1.25 -0.68 2.25 2.04 -1.28 -0.47 117.51 121.46 2pph h ILE 65 Ca 0.38 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.35 2pph h ILE 65 Cb 0.28 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2pph h ILE 65 CO -0.22 0.29 0.43 0.25 0.00 0.00 0.00 178.15 178.90 2pph h LEU 66 N 0.27 0.71 -0.63 1.44 5.85 -0.83 -2.01 115.31 120.11 2pph h LEU 66 Ca 0.08 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 2pph h LEU 66 Cb 0.42 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2pph h LEU 66 CO 0.01 0.50 -0.38 -0.78 -0.34 0.00 0.00 178.44 177.45 2pph h ASP 67 N 0.85 0.69 0.24 1.25 3.58 -1.03 -2.86 116.42 119.12 2pph h ASP 67 Ca 0.27 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 2pph h ASP 67 Cb -0.00 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 2pph h ASP 67 CO -0.10 1.00 -0.12 -0.09 -2.88 0.00 0.00 179.24 177.05 2pph h ARG 68 N 0.54 0.00 -7.23 0.28 2.43 -0.53 -3.44 114.38 106.43 2pph h ARG 68 Ca 0.05 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.74 2pph h ARG 68 Cb 0.89 0.00 0.19 0.00 -0.42 0.00 0.00 29.97 30.64 2pph h ARG 68 CO 0.08 0.12 0.14 0.45 -1.51 0.00 0.00 179.97 179.24 2pph s SER 69 N -6.45 2.19 0.19 -3.80 0.15 -0.81 -4.94 113.70 100.25 2pph s SER 69 Ca -0.04 1.79 -0.09 0.00 0.70 0.00 0.00 55.95 58.31 2pph s SER 69 Cb 0.14 -2.40 0.11 0.00 -1.71 0.00 0.00 66.02 62.17 2pph s SER 69 CO 0.62 -3.49 1.73 0.77 1.20 0.00 0.00 173.24 174.06 2pph h SER 70 N -2.13 1.02 0.00 5.45 4.64 -1.86 -3.46 113.55 117.20 2pph h SER 70 Ca -0.52 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 2pph h SER 70 Cb 1.30 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2pph h SER 70 CO 0.47 0.96 0.00 -1.54 -0.87 0.00 0.00 176.83 175.85 2pph n SER 71 N -4.30 -2.19 -1.14 4.97 3.41 -1.26 -5.17 113.62 107.94 2pph n SER 71 Ca 0.05 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2pph n SER 71 Cb 0.23 2.24 -0.03 0.00 -0.26 0.00 0.00 64.21 66.38 2pph n SER 71 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2pph n MET 72 N -2.97 -1.89 -3.50 4.33 0.00 -1.26 -4.93 117.12 106.90 2pph n MET 72 Ca 0.00 1.24 -0.08 0.00 0.00 0.00 0.00 57.70 58.87 2pph n MET 72 Cb 0.00 -2.30 -0.08 0.00 0.00 0.00 0.00 33.22 30.84 2pph n MET 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2pph s LYS 73 N -1.55 0.36 1.46 2.12 1.02 -1.26 -5.13 119.74 116.76 2pph s LYS 73 Ca 0.00 0.85 0.00 0.00 0.02 0.00 0.00 55.97 56.84 2pph s LYS 73 Cb 0.00 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 2pph s LYS 73 CO 0.00 -0.43 0.00 0.45 -0.92 0.00 0.00 175.35 174.45 2pph n SER 74 N 5.39 -5.26 -4.06 2.83 2.88 -1.26 -4.83 113.62 109.31 2pph n SER 74 Ca -0.06 0.28 -0.28 0.00 -1.33 0.00 0.00 58.87 57.47 2pph n SER 74 Cb 0.50 -0.78 -0.17 0.00 -0.75 0.00 0.00 64.21 63.01 2pph n SER 74 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2pph s LEU 75 N 0.00 1.72 -0.52 2.46 1.02 -0.94 -4.94 118.68 117.48 2pph s LEU 75 Ca 0.00 -0.42 -0.24 0.00 0.02 0.00 0.00 54.13 53.49 2pph s LEU 75 Cb 0.00 -1.08 0.04 0.00 0.02 0.00 0.00 46.19 45.17 2pph s LEU 75 CO 0.00 0.02 0.93 -0.60 0.02 0.00 0.00 176.35 176.72 2pph s ARG 76 N 0.95 3.38 -0.06 1.70 3.52 -1.26 -1.70 118.95 125.48 2pph s ARG 76 Ca -0.07 -0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 2pph s ARG 76 Cb -0.15 -4.02 0.01 0.00 -1.56 0.00 0.00 34.95 29.23 2pph s ARG 76 CO -0.01 -1.40 -0.14 0.42 -0.81 0.00 0.00 175.30 173.37 2pph s ILE 77 N 3.85 1.23 -0.20 4.11 1.01 -1.12 -3.13 121.20 126.95 2pph s ILE 77 Ca 0.32 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 2pph s ILE 77 Cb -0.12 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2pph s ILE 77 CO 0.21 0.37 0.10 -0.76 0.00 0.00 0.00 174.94 174.86 2pph s LEU 78 N 0.48 3.99 -0.10 2.97 2.01 0.36 -3.16 118.68 125.22 2pph s LEU 78 Ca -0.12 0.13 -0.15 0.00 0.01 0.00 0.00 54.13 54.00 2pph s LEU 78 Cb -0.15 -2.03 -0.05 0.00 0.01 0.00 0.00 46.19 43.98 2pph s LEU 78 CO 0.04 0.15 0.38 -0.76 1.01 0.00 0.00 176.35 177.17 2pph s LEU 79 N 0.50 4.33 0.01 1.79 1.43 -1.23 -2.28 118.68 123.24 2pph s LEU 79 Ca 0.06 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 2pph s LEU 79 Cb -0.12 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 2pph s LEU 79 CO 0.00 0.16 -0.07 -0.76 0.23 0.00 0.00 176.35 175.91 2pph s LEU 80 N -0.04 2.11 -0.63 1.79 1.43 -1.22 -4.90 118.68 117.22 2pph s LEU 80 Ca 0.22 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 2pph s LEU 80 Cb -0.15 -0.27 0.06 0.00 0.03 0.00 0.00 46.19 45.87 2pph s LEU 80 CO 0.09 -0.03 0.94 -0.55 0.23 0.00 0.00 176.35 177.03 2pph s SER 81 N -0.69 6.21 -0.27 2.29 0.15 -1.26 -1.83 113.70 118.29 2pph s SER 81 Ca -0.02 -0.86 0.09 0.00 0.70 0.00 0.00 55.95 55.86 2pph s SER 81 Cb -0.05 -2.41 0.48 0.00 -1.71 0.00 0.00 66.02 62.32 2pph s SER 81 CO 0.00 -1.36 1.39 0.00 1.20 0.00 0.00 173.24 174.47 2pph n GLN 82 N 7.55 1.83 -2.27 5.44 1.13 -1.26 -5.02 117.38 124.78 2pph n GLN 82 Ca -0.03 -3.27 -0.43 0.00 -1.94 0.00 0.00 57.00 51.33 2pph n GLN 82 Cb 0.46 -1.78 -0.02 0.00 0.11 0.00 0.00 30.24 29.00 2pph n GLN 82 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2pph s ASP 83 N -2.79 6.80 0.11 1.08 2.15 -1.26 -4.78 116.67 117.99 2pph s ASP 83 Ca 0.43 1.84 0.00 0.00 0.43 0.00 0.00 52.55 55.26 2pph s ASP 83 Cb 0.40 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2pph s ASP 83 CO -0.02 -0.86 0.00 0.54 -0.17 0.00 0.00 175.17 174.65 2pph n ARG 84 N 6.88 0.00 -1.12 4.34 1.74 -1.26 -5.16 116.66 122.08 2pph n ARG 84 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2pph n ARG 84 Cb 0.44 -0.08 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 2pph n ARG 84 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2pph n ASN 85 N -2.95 -6.08 -0.92 0.55 5.15 -1.26 -5.05 115.26 104.71 2pph n ASN 85 Ca 0.00 1.26 0.00 0.00 -0.60 0.00 0.00 54.58 55.24 2pph n ASN 85 Cb 0.05 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.01 2pph n ASN 85 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2pph n LEU 86 N -2.05 -1.23 -2.48 1.20 4.77 -1.26 -5.01 117.00 110.94 2pph n LEU 86 Ca 0.00 1.70 -0.05 0.00 -0.03 0.00 0.00 56.01 57.63 2pph n LEU 86 Cb 0.28 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 39.96 2pph n LEU 86 CO 0.00 -0.22 -0.59 -0.62 -1.33 0.00 0.00 177.39 174.63 2pph n GLU 87 N -1.73 -4.01 0.00 3.23 4.71 -1.26 -5.06 120.64 116.52 2pph n GLU 87 Ca 0.00 3.09 0.00 0.00 -0.01 0.00 0.00 57.16 60.24 2pph n GLU 87 Cb 0.18 -4.65 0.00 0.00 -1.01 0.00 0.00 31.44 25.96 2pph n GLU 87 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2pph n HIS 88 N 1.43 0.00 -2.59 -0.32 -0.00 -1.26 -5.05 115.22 107.42 2pph n HIS 88 Ca -0.35 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 57.82 2pph n HIS 88 Cb 0.54 0.23 0.05 0.00 -0.12 0.00 0.00 29.99 30.68 2pph n HIS 88 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2pph n HIS 89 N -1.95 -0.85 0.00 1.57 8.25 -1.26 -5.01 115.22 115.97 2pph n HIS 89 Ca 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 2pph n HIS 89 Cb 0.00 1.02 0.00 0.00 1.12 0.00 0.00 29.99 32.13 2pph n HIS 89 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2pph n HIS 90 N -0.60 -0.76 -2.21 4.41 -0.00 -1.26 -5.04 115.22 109.74 2pph n HIS 90 Ca -0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.45 2pph n HIS 90 Cb 0.66 0.37 -0.02 0.00 -0.00 0.00 0.00 29.99 31.00 2pph n HIS 90 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2pph n HIS 91 N -2.23 -0.71 -0.89 1.57 -0.00 -1.26 -4.64 115.22 107.07 2pph n HIS 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2pph n HIS 91 Cb 0.00 -3.38 0.00 0.00 -0.00 0.00 0.00 29.99 26.61 2pph n HIS 91 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2pph n HIS 92 N -3.81 -2.40 -0.68 4.41 8.25 -1.26 -5.14 115.22 114.59 2pph n HIS 92 Ca -0.20 1.27 0.00 0.00 -0.26 0.00 0.00 57.72 58.53 2pph n HIS 92 Cb 0.64 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 29.32 2pph n HIS 92 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70