#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 -6.53 -2.70 1.69 7.64 -1.26 -5.02 113.62 107.45 2pph n SER 2 Ca 0.00 0.70 -0.03 0.00 1.01 0.00 0.00 58.87 60.55 2pph n SER 2 Cb 0.00 -3.47 -0.02 0.00 -1.01 0.00 0.00 64.21 59.71 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 -3.77 -4.33 -4.77 6.43 8.00 -1.26 -4.95 116.55 111.90 2pph n ASP 3 Ca -0.02 1.35 -0.38 0.00 0.71 0.00 0.00 54.79 56.45 2pph n ASP 3 Cb 0.50 -5.04 -0.04 0.00 -0.02 0.00 0.00 41.12 36.52 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 -1.10 3.69 -0.35 2.53 1.01 -0.01 -4.77 120.40 121.40 2pph s VAL 4 Ca -0.14 1.45 -0.17 0.00 0.00 0.00 0.00 61.98 63.12 2pph s VAL 4 Cb 0.01 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2pph s VAL 4 CO 0.74 0.15 0.44 -0.13 0.00 0.00 0.00 175.10 176.30 2pph s ARG 5 N -2.07 3.55 -0.09 2.72 0.52 -1.26 -1.59 118.95 120.74 2pph s ARG 5 Ca 0.52 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 55.44 2pph s ARG 5 Cb -0.25 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.38 2pph s ARG 5 CO 0.32 -0.61 -0.16 0.42 0.02 0.00 0.00 175.30 175.28 2pph s ILE 6 N 2.22 2.84 -0.22 1.52 1.09 -0.95 -3.87 121.20 123.83 2pph s ILE 6 Ca 0.15 -0.77 -0.10 0.00 -1.10 0.00 0.00 60.65 58.83 2pph s ILE 6 Cb -0.16 -2.13 -0.05 0.00 -1.06 0.00 0.00 42.46 39.06 2pph s ILE 6 CO 0.13 0.56 0.13 -0.75 -0.10 0.00 0.00 174.94 174.91 2pph s LYS 7 N -0.15 4.09 -0.10 2.79 2.47 -1.03 -2.61 119.74 125.20 2pph s LYS 7 Ca -0.01 -0.27 -0.02 0.00 -1.56 0.00 0.00 55.97 54.11 2pph s LYS 7 Cb -0.14 -3.44 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 2pph s LYS 7 CO 0.03 0.18 -0.01 -0.06 0.16 0.00 0.00 175.35 175.65 2pph s PHE 8 N 0.71 3.12 -0.09 4.03 0.40 -0.00 -3.66 117.98 122.49 2pph s PHE 8 Ca 0.07 0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 2pph s PHE 8 Cb -0.12 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.62 2pph s PHE 8 CO 0.01 0.38 -0.08 -1.21 0.70 0.00 0.00 175.22 175.03 2pph s GLU 9 N -0.68 1.40 -0.12 0.44 2.02 -1.19 -0.25 118.70 120.32 2pph s GLU 9 Ca 0.11 -0.25 -0.05 0.00 0.02 0.00 0.00 54.97 54.80 2pph s GLU 9 Cb -0.12 -1.38 0.05 0.00 0.10 0.00 0.00 34.13 32.78 2pph s GLU 9 CO 0.02 -0.16 0.26 -1.58 0.02 0.00 0.00 175.26 173.83 2pph s HIS 10 N 1.32 -0.37 -1.81 1.61 2.46 -0.83 -2.87 115.29 114.80 2pph s HIS 10 Ca -0.03 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.37 2pph s HIS 10 Cb -0.14 0.05 0.00 0.00 -0.13 0.00 0.00 32.58 32.36 2pph s HIS 10 CO -0.03 -0.27 0.00 -1.71 -2.47 0.00 0.00 174.74 170.26 2pph n ASN 11 N 4.47 -5.63 0.00 9.88 2.85 -1.26 -1.11 115.26 124.46 2pph n ASN 11 Ca -0.21 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2pph n ASN 11 Cb 0.52 -4.75 0.00 0.00 1.24 0.00 0.00 39.78 36.79 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 -0.85 2.32 3.90 8.20 0.00 -1.26 -5.04 105.19 112.46 2pph n GLY 12 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.42 3.07 0.17 1.61 2.02 -0.27 -5.09 118.70 119.78 2pph s GLU 13 Ca 0.00 0.31 0.11 0.00 0.02 0.00 0.00 54.97 55.41 2pph s GLU 13 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 2pph s GLU 13 CO 0.00 -0.76 -0.24 1.03 0.02 0.00 0.00 175.26 175.31 2pph s ARG 14 N -5.13 1.45 -0.06 1.61 0.52 -1.26 -1.96 118.95 114.11 2pph s ARG 14 Ca 0.55 -1.46 -0.07 0.00 -0.52 0.00 0.00 55.73 54.24 2pph s ARG 14 Cb -0.11 -1.80 0.02 0.00 0.52 0.00 0.00 34.95 33.58 2pph s ARG 14 CO 0.49 0.40 0.18 1.03 0.02 0.00 0.00 175.30 177.42 2pph s ARG 15 N -2.49 0.25 -0.23 3.54 1.81 0.65 -4.98 118.95 117.50 2pph s ARG 15 Ca 0.18 0.18 -0.04 0.00 -1.72 0.00 0.00 55.73 54.33 2pph s ARG 15 Cb -0.08 0.12 -0.00 0.00 -0.45 0.00 0.00 34.95 34.53 2pph s ARG 15 CO 0.08 -0.04 -0.03 0.42 -0.68 0.00 0.00 175.30 175.06 2pph s ILE 16 N -0.07 3.41 -0.02 1.52 1.01 -1.26 -0.82 121.20 124.96 2pph s ILE 16 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2pph s ILE 16 Cb -0.02 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.89 2pph s ILE 16 CO 0.00 0.36 0.02 -0.51 0.00 0.00 0.00 174.94 174.82 2pph s ILE 17 N 1.47 0.03 -0.15 2.92 1.10 -1.07 -5.04 121.20 120.46 2pph s ILE 17 Ca 0.05 0.16 -0.09 0.00 -0.51 0.00 0.00 60.65 60.26 2pph s ILE 17 Cb -0.15 -0.15 -0.04 0.00 0.15 0.00 0.00 42.46 42.27 2pph s ILE 17 CO -0.03 0.11 0.15 0.00 -2.11 0.00 0.00 174.94 173.06 2pph s ALA 18 N 1.01 3.79 -0.11 1.50 0.00 -1.26 -2.23 121.76 124.45 2pph s ALA 18 Ca -0.09 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2pph s ALA 18 Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 23.12 20.92 2pph s ALA 18 CO -0.02 0.41 -0.19 -0.06 0.00 0.00 0.00 175.76 175.90 2pph s PHE 19 N -0.43 2.25 0.26 0.00 0.08 -0.62 -4.93 117.98 114.59 2pph s PHE 19 Ca 0.13 -1.04 -0.29 0.00 0.12 0.00 0.00 56.93 55.84 2pph s PHE 19 Cb -0.12 -1.57 -0.09 0.00 -0.57 0.00 0.00 43.02 40.67 2pph s PHE 19 CO 0.02 -0.49 1.16 -1.12 -0.10 0.00 0.00 175.22 174.69 2pph s SER 20 N 0.77 7.13 0.12 1.36 0.01 -1.26 -0.83 113.70 121.01 2pph s SER 20 Ca -0.10 2.33 0.03 0.00 1.31 0.00 0.00 55.95 59.52 2pph s SER 20 Cb -0.16 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 2pph s SER 20 CO 0.01 -0.27 0.17 0.00 0.41 0.00 0.00 173.24 173.56 2pph s ARG 21 N -1.15 3.12 0.08 12.44 3.03 -1.26 -3.51 118.95 131.70 2pph s ARG 21 Ca 0.48 -0.68 -0.30 0.00 2.03 0.00 0.00 55.73 57.26 2pph s ARG 21 Cb -0.33 -2.81 -0.05 0.00 -1.03 0.00 0.00 34.95 30.72 2pph s ARG 21 CO 0.42 0.54 1.07 -1.25 -1.13 0.00 0.00 175.30 174.95 2pph s PRO 22 N -2.83 4.56 -0.14 3.89 0.04 -1.26 -4.91 135.00 134.35 2pph s PRO 22 Ca 0.32 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 2pph s PRO 22 Cb -0.11 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 2pph s PRO 22 CO 0.25 -0.03 -0.07 0.54 0.04 0.00 0.00 177.00 177.73 2pph s VAL 23 N 0.52 3.63 0.17 -0.36 0.11 -1.23 -5.11 120.40 118.14 2pph s VAL 23 Ca 0.52 -0.46 -0.16 0.00 -2.93 0.00 0.00 61.98 58.96 2pph s VAL 23 Cb -0.26 -2.57 -0.07 0.00 -1.53 0.00 0.00 36.38 31.95 2pph s VAL 23 CO 0.30 0.51 0.61 -0.54 -3.33 0.00 0.00 175.10 172.65 2pph s LYS 24 N 0.30 4.07 0.35 1.54 1.02 -1.26 -4.98 119.74 120.77 2pph s LYS 24 Ca -0.06 0.62 0.07 0.00 0.02 0.00 0.00 55.97 56.62 2pph s LYS 24 Cb -0.15 -2.90 0.77 0.00 -0.52 0.00 0.00 37.83 35.03 2pph s LYS 24 CO 0.04 0.44 1.88 -0.92 -0.92 0.00 0.00 175.35 175.87 2pph h TYR 25 N 3.49 0.85 -0.51 3.18 3.20 -1.97 -1.50 116.97 123.71 2pph h TYR 25 Ca -0.48 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.43 2pph h TYR 25 Cb 1.19 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 2pph h TYR 25 CO 0.65 0.34 0.32 0.93 -1.64 0.00 0.00 178.16 178.76 2pph h GLU 26 N 0.75 0.63 -0.46 1.82 5.08 -1.98 0.16 114.58 120.58 2pph h GLU 26 Ca 0.43 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 2pph h GLU 26 Cb 0.62 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2pph h GLU 26 CO -0.19 0.42 0.17 0.22 -1.00 0.00 0.00 179.01 178.63 2pph h ASP 27 N 0.65 0.64 -0.08 1.42 3.58 -1.69 -1.03 116.42 119.92 2pph h ASP 27 Ca 0.20 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2pph h ASP 27 Cb -0.03 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.85 2pph h ASP 27 CO -0.07 0.65 0.01 0.58 -2.88 0.00 0.00 179.24 177.53 2pph h VAL 28 N 0.60 1.22 -0.89 2.25 2.07 -1.13 -2.78 116.25 117.59 2pph h VAL 28 Ca 0.15 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 67.05 2pph h VAL 28 Cb 0.22 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 2pph h VAL 28 CO -0.01 0.19 0.55 -0.08 0.02 0.00 0.00 177.57 178.24 2pph h GLU 29 N -0.12 0.95 -0.80 1.57 4.81 -0.61 -1.31 114.58 119.07 2pph h GLU 29 Ca 0.02 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2pph h GLU 29 Cb 0.30 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 2pph h GLU 29 CO 0.00 0.63 0.50 1.25 -0.73 0.00 0.00 179.01 180.66 2pph h HIS 30 N 0.98 0.92 -0.14 0.92 2.76 -1.06 -0.51 115.15 119.02 2pph h HIS 30 Ca 0.40 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.57 2pph h HIS 30 Cb 0.22 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 2pph h HIS 30 CO -0.03 0.49 -0.02 -0.22 -1.30 0.00 0.00 177.93 176.85 2pph h LYS 31 N 0.93 0.25 -0.51 5.26 3.64 -1.03 -2.03 116.57 123.08 2pph h LYS 31 Ca 0.34 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 2pph h LYS 31 Cb 0.11 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2pph h LYS 31 CO -0.15 0.51 0.27 0.28 -2.27 0.00 0.00 179.45 178.09 2pph h VAL 32 N -0.03 0.98 -0.74 2.00 2.07 -0.91 0.16 116.25 119.77 2pph h VAL 32 Ca 0.04 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2pph h VAL 32 Cb 0.41 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2pph h VAL 32 CO 0.01 0.10 0.32 0.74 0.02 0.00 0.00 177.57 178.75 2pph h THR 33 N 0.52 1.24 -0.09 2.57 2.02 -1.08 -1.46 112.91 116.64 2pph h THR 33 Ca 0.22 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 2pph h THR 33 Cb 0.11 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2pph h THR 33 CO -0.14 0.30 -0.18 0.74 0.37 0.00 0.00 175.52 176.61 2pph h THR 34 N 1.06 1.40 -0.01 3.16 2.02 -0.69 0.58 112.91 120.44 2pph h THR 34 Ca 0.25 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 2pph h THR 34 Cb 0.16 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2pph h THR 34 CO -0.03 0.42 0.00 0.58 0.37 0.00 0.00 175.52 176.87 2pph h VAL 35 N -0.19 1.03 0.00 3.16 2.07 -0.61 -3.07 116.25 118.64 2pph h VAL 35 Ca 0.00 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2pph h VAL 35 Cb 0.76 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2pph h VAL 35 CO 0.04 0.02 -0.56 -0.26 0.02 0.00 0.00 177.57 176.83 2pph h PHE 36 N -0.02 0.00 0.00 1.57 0.04 -1.36 -3.48 116.94 113.68 2pph h PHE 36 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2pph h PHE 36 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2pph h PHE 36 CO -0.07 0.20 0.00 0.41 -0.60 0.00 0.00 178.31 178.25 2pph n GLY 37 N 1.19 2.44 3.18 -1.45 0.00 0.19 -5.03 105.19 105.71 2pph n GLY 37 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2pph n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pph s GLN 38 N -0.88 0.76 0.07 1.61 -2.07 -0.70 -4.85 119.66 113.59 2pph s GLN 38 Ca 0.00 -0.86 -0.31 0.00 -1.82 0.00 0.00 55.36 52.37 2pph s GLN 38 Cb 0.00 0.31 -0.06 0.00 -1.09 0.00 0.00 33.01 32.17 2pph s GLN 38 CO 0.00 -0.22 1.25 -1.25 -1.32 0.00 0.00 175.29 173.74 2pph s PRO 39 N -3.37 4.40 0.15 9.60 0.04 -1.26 -4.15 135.00 140.41 2pph s PRO 39 Ca 0.01 1.84 0.11 0.00 0.04 0.00 0.00 61.00 63.00 2pph s PRO 39 Cb 0.03 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2pph s PRO 39 CO -0.08 -0.32 -0.25 -0.51 0.04 0.00 0.00 177.00 175.88 2pph s LEU 40 N 1.17 2.37 0.07 -3.56 1.02 -1.26 -2.71 118.68 115.78 2pph s LEU 40 Ca 0.60 -0.79 -0.22 0.00 0.02 0.00 0.00 54.13 53.74 2pph s LEU 40 Cb -0.31 -1.14 -0.06 0.00 0.02 0.00 0.00 46.19 44.70 2pph s LEU 40 CO 0.29 0.13 0.66 -1.81 0.02 0.00 0.00 176.35 175.64 2pph s ASP 41 N -2.31 7.14 -0.46 2.29 1.11 0.78 -4.82 116.67 120.39 2pph s ASP 41 Ca 0.16 1.35 -0.16 0.00 0.18 0.00 0.00 52.55 54.08 2pph s ASP 41 Cb -0.09 -2.41 0.05 0.00 1.07 0.00 0.00 42.92 41.54 2pph s ASP 41 CO 0.07 0.17 0.41 -0.76 1.18 0.00 0.00 175.17 176.24 2pph s LEU 42 N -0.68 5.31 -0.35 1.23 1.43 -1.26 -2.46 118.68 121.90 2pph s LEU 42 Ca 0.33 -1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.17 2pph s LEU 42 Cb -0.20 -2.24 -0.00 0.00 0.03 0.00 0.00 46.19 43.77 2pph s LEU 42 CO 0.21 -0.63 0.51 -1.00 0.23 0.00 0.00 176.35 175.67 2pph s HIS 43 N 1.85 3.18 -0.16 0.29 3.76 -0.74 -1.32 115.29 122.15 2pph s HIS 43 Ca 0.07 0.17 -0.15 0.00 -0.15 0.00 0.00 55.06 55.00 2pph s HIS 43 Cb -0.21 -2.92 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 2pph s HIS 43 CO 0.09 -0.54 0.34 -0.47 -0.85 0.00 0.00 174.74 173.32 2pph s TYR 44 N 2.38 3.45 -0.12 1.40 5.04 0.15 -1.99 117.35 127.66 2pph s TYR 44 Ca 0.18 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 2pph s TYR 44 Cb -0.15 -2.41 0.02 0.00 0.35 0.00 0.00 41.96 39.76 2pph s TYR 44 CO 0.13 0.17 -0.11 0.00 -1.34 0.00 0.00 175.55 174.40 2pph s MET 45 N 0.67 1.91 -0.12 4.97 0.23 -1.25 0.46 119.30 126.15 2pph s MET 45 Ca 0.18 -0.42 -0.06 0.00 -1.03 0.00 0.00 55.69 54.37 2pph s MET 45 Cb -0.14 -1.79 -0.02 0.00 -1.53 0.00 0.00 34.83 31.35 2pph s MET 45 CO 0.06 -0.20 -0.11 -0.91 -2.03 0.00 0.00 175.02 171.82 2pph h ASN 46 N 7.92 0.00 0.00 -1.18 2.35 -1.90 -3.46 115.58 119.31 2pph h ASN 46 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2pph h ASN 46 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2pph h ASN 46 CO 0.47 0.66 0.00 0.59 -1.65 0.00 0.00 177.43 177.49 2pph n ASN 47 N -4.66 -0.66 -0.01 5.81 4.13 -1.26 -4.98 115.26 113.63 2pph n ASN 47 Ca -0.04 0.17 0.04 0.00 1.68 0.00 0.00 54.58 56.42 2pph n ASN 47 Cb 0.16 0.90 -0.08 0.00 -1.54 0.00 0.00 39.78 39.23 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 -2.70 0.61 -4.21 3.52 -0.58 -1.26 -5.00 120.64 111.02 2pph n GLU 48 Ca 0.00 -0.08 -0.35 0.00 -0.42 0.00 0.00 57.16 56.30 2pph n GLU 48 Cb 0.00 -1.24 -0.08 0.00 -0.57 0.00 0.00 31.44 29.54 2pph n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pph s LEU 49 N -3.85 3.85 -0.19 -4.62 1.02 -1.26 -5.10 118.68 108.52 2pph s LEU 49 Ca -0.04 0.24 -0.02 0.00 0.02 0.00 0.00 54.13 54.33 2pph s LEU 49 Cb 0.06 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.34 2pph s LEU 49 CO 0.42 0.38 -0.09 -0.55 0.02 0.00 0.00 176.35 176.53 2pph s SER 50 N -0.99 4.02 -0.11 2.29 0.15 -1.26 -2.80 113.70 114.99 2pph s SER 50 Ca 0.14 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.38 2pph s SER 50 Cb -0.12 -1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.52 2pph s SER 50 CO 0.04 0.03 -0.13 -0.63 1.20 0.00 0.00 173.24 173.74 2pph s ILE 51 N 1.18 3.08 -0.07 6.45 1.01 0.17 -4.97 121.20 128.05 2pph s ILE 51 Ca 0.02 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 2pph s ILE 51 Cb -0.14 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2pph s ILE 51 CO -0.03 0.54 0.41 -0.22 0.00 0.00 0.00 174.94 175.64 2pph s LEU 52 N 0.07 4.37 -0.51 2.97 2.96 -1.26 0.33 118.68 127.61 2pph s LEU 52 Ca -0.05 0.83 -0.24 0.00 -0.22 0.00 0.00 54.13 54.45 2pph s LEU 52 Cb -0.15 -2.59 0.04 0.00 0.50 0.00 0.00 46.19 44.00 2pph s LEU 52 CO 0.04 0.17 0.87 -0.76 -1.32 0.00 0.00 176.35 175.36 2pph s LEU 53 N -0.22 4.20 -0.13 -0.68 1.43 -0.43 -4.84 118.68 118.00 2pph s LEU 53 Ca 0.23 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 2pph s LEU 53 Cb -0.15 -2.89 -0.12 0.00 0.03 0.00 0.00 46.19 43.06 2pph s LEU 53 CO 0.11 -1.09 -0.06 1.17 0.23 0.00 0.00 176.35 176.71 2pph n LYS 54 N 7.11 1.11 -4.37 1.70 4.81 -1.26 -4.46 118.16 122.80 2pph n LYS 54 Ca 0.02 0.05 -0.22 0.00 -0.87 0.00 0.00 58.31 57.28 2pph n LYS 54 Cb 0.48 -1.30 -0.08 0.00 0.02 0.00 0.00 35.03 34.15 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 -5.01 2.17 0.33 3.14 2.20 -1.26 -5.05 114.94 111.47 2pph s ASN 55 Ca -0.14 -1.78 0.04 0.00 -0.94 0.00 0.00 52.86 50.05 2pph s ASN 55 Cb 0.04 0.59 0.59 0.00 -2.00 0.00 0.00 41.25 40.48 2pph s ASN 55 CO 0.40 -1.06 1.86 -0.61 -2.94 0.00 0.00 177.10 174.75 2pph h GLN 56 N 1.97 0.50 -0.98 3.55 5.75 -1.98 -2.77 115.11 121.14 2pph h GLN 56 Ca -0.27 -0.11 0.09 0.00 -0.15 0.00 0.00 58.65 58.20 2pph h GLN 56 Cb 1.25 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.65 2pph h GLN 56 CO 0.41 0.56 0.62 -0.44 -2.65 0.00 0.00 178.83 177.33 2pph h ASP 57 N 0.48 0.95 0.00 -0.69 5.19 -1.98 0.62 116.42 120.99 2pph h ASP 57 Ca 0.10 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2pph h ASP 57 Cb 0.37 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2pph h ASP 57 CO 0.01 0.56 -0.00 0.44 -3.12 0.00 0.00 179.24 177.14 2pph h ASP 58 N 1.06 -0.00 0.11 6.45 3.32 -1.87 -2.17 116.42 123.32 2pph h ASP 58 Ca 0.45 -0.32 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 2pph h ASP 58 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2pph h ASP 58 CO -0.22 0.32 -0.45 0.17 -1.72 0.00 0.00 179.24 177.35 2pph h LEU 59 N -0.32 0.44 -0.58 1.55 8.10 -1.43 -2.42 115.31 120.65 2pph h LEU 59 Ca -0.00 -0.20 -0.01 0.00 0.11 0.00 0.00 57.88 57.78 2pph h LEU 59 Cb 0.32 -0.12 -0.03 0.00 -0.44 0.00 0.00 40.66 40.39 2pph h LEU 59 CO 0.00 0.83 0.33 -0.78 -4.11 0.00 0.00 178.44 174.71 2pph h ASP 60 N 0.34 0.71 0.27 0.17 1.82 0.27 -1.92 116.42 118.08 2pph h ASP 60 Ca 0.02 -0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 56.46 2pph h ASP 60 Cb 0.92 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 2pph h ASP 60 CO 0.08 0.58 -0.49 0.11 -1.61 0.00 0.00 179.24 177.91 2pph h LYS 61 N 0.78 0.26 -0.72 0.28 1.57 -1.32 -3.07 116.57 114.35 2pph h LYS 61 Ca 0.21 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2pph h LYS 61 Cb 0.02 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2pph h LYS 61 CO -0.04 0.69 0.23 0.00 -0.57 0.00 0.00 179.45 179.76 2pph h ALA 62 N 1.29 1.05 -0.25 3.86 0.00 -0.95 -2.95 119.26 121.30 2pph h ALA 62 Ca 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2pph h ALA 62 Cb 0.94 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2pph h ALA 62 CO 0.08 0.64 0.15 0.82 0.00 0.00 0.00 179.25 180.94 2pph h ILE 63 N 1.06 1.10 -0.92 0.00 2.04 -1.27 -2.48 117.51 117.04 2pph h ILE 63 Ca 0.23 -0.25 0.16 0.00 1.00 0.00 0.00 64.86 66.01 2pph h ILE 63 Cb 0.29 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.11 2pph h ILE 63 CO -0.01 0.10 0.59 -0.78 0.00 0.00 0.00 178.15 178.05 2pph h ASP 64 N 0.30 0.64 -0.55 1.72 3.58 -1.49 0.14 116.42 120.77 2pph h ASP 64 Ca 0.09 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.52 2pph h ASP 64 Cb 0.03 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2pph h ASP 64 CO -0.02 0.30 0.08 0.40 -2.88 0.00 0.00 179.24 177.12 2pph h ILE 65 N 0.66 1.25 -0.18 2.25 2.04 -1.31 -1.85 117.51 120.37 2pph h ILE 65 Ca 0.48 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2pph h ILE 65 Cb 0.83 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2pph h ILE 65 CO -0.23 0.36 -0.01 -0.07 0.00 0.00 0.00 178.15 178.20 2pph h LEU 66 N 0.90 0.32 -1.11 1.44 3.38 -0.78 -2.42 115.31 117.03 2pph h LEU 66 Ca 0.18 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2pph h LEU 66 Cb 0.42 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2pph h LEU 66 CO 0.01 0.57 0.44 0.44 0.09 0.00 0.00 178.44 179.99 2pph h ASP 67 N 0.06 0.93 0.43 -0.43 5.19 -1.26 -2.03 116.42 119.31 2pph h ASP 67 Ca 0.05 -0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.32 2pph h ASP 67 Cb 0.41 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 2pph h ASP 67 CO 0.01 0.74 -0.34 -0.09 -3.12 0.00 0.00 179.24 176.44 2pph h ARG 68 N 1.06 0.00 -7.22 3.56 1.12 -1.25 -3.45 114.38 108.21 2pph h ARG 68 Ca 0.27 0.00 -0.47 0.00 -1.11 0.00 0.00 59.98 58.67 2pph h ARG 68 Cb -0.01 0.00 0.20 0.00 -0.01 0.00 0.00 29.97 30.15 2pph h ARG 68 CO -0.05 0.34 0.12 -1.54 -3.11 0.00 0.00 179.97 175.73 2pph s SER 69 N -6.76 1.96 -0.05 -3.80 1.04 -0.77 -4.98 113.70 100.35 2pph s SER 69 Ca -0.02 1.71 -0.19 0.00 0.48 0.00 0.00 55.95 57.93 2pph s SER 69 Cb 0.14 -2.35 -0.31 0.00 0.10 0.00 0.00 66.02 63.59 2pph s SER 69 CO 0.70 -3.62 0.81 -1.28 0.98 0.00 0.00 173.24 170.83 2pph h SER 70 N -2.22 0.53 0.00 7.02 0.87 -1.87 -3.44 113.55 114.44 2pph h SER 70 Ca -0.54 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.10 2pph h SER 70 Cb 1.31 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2pph h SER 70 CO 0.48 1.54 -0.62 -1.54 -0.53 0.00 0.00 176.83 176.17 2pph n SER 71 N -3.96 2.78 -4.53 6.23 3.41 -1.26 -5.00 113.62 111.29 2pph n SER 71 Ca -0.18 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.23 2pph n SER 71 Cb 0.92 0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 2pph n SER 71 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2pph n MET 72 N -1.78 0.33 -0.07 4.33 2.00 -1.26 -4.63 117.12 116.04 2pph n MET 72 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 57.70 57.24 2pph n MET 72 Cb 0.31 -2.43 -0.10 0.00 0.00 0.00 0.00 33.22 31.00 2pph n MET 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2pph n LYS 73 N 7.46 1.48 -0.99 0.03 4.76 -1.26 -4.50 118.16 125.14 2pph n LYS 73 Ca 0.56 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.72 2pph n LYS 73 Cb 0.29 -1.35 0.26 0.00 -1.84 0.00 0.00 35.03 32.39 2pph n LYS 73 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2pph n SER 74 N -2.62 -2.25 -3.89 4.39 3.41 -1.26 -4.82 113.62 106.58 2pph n SER 74 Ca -0.24 -1.15 -0.27 0.00 -0.26 0.00 0.00 58.87 56.94 2pph n SER 74 Cb 0.91 -1.01 -0.17 0.00 -0.26 0.00 0.00 64.21 63.69 2pph n SER 74 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pph s LEU 75 N 0.00 1.35 -0.52 1.04 1.02 -1.25 -4.95 118.68 115.37 2pph s LEU 75 Ca 0.71 -0.47 -0.24 0.00 0.02 0.00 0.00 54.13 54.16 2pph s LEU 75 Cb -0.07 -0.85 0.04 0.00 0.02 0.00 0.00 46.19 45.32 2pph s LEU 75 CO 0.55 -0.16 0.90 -0.13 0.02 0.00 0.00 176.35 177.53 2pph s ARG 76 N 1.69 3.36 -0.06 1.70 0.52 -1.26 -2.47 118.95 122.43 2pph s ARG 76 Ca 0.03 -0.22 0.02 0.00 -0.52 0.00 0.00 55.73 55.04 2pph s ARG 76 Cb -0.14 -4.02 0.01 0.00 0.52 0.00 0.00 34.95 31.32 2pph s ARG 76 CO -0.08 -1.39 -0.11 0.42 0.02 0.00 0.00 175.30 174.17 2pph s ILE 77 N 3.76 1.02 -0.18 1.52 1.01 -1.24 -3.94 121.20 123.15 2pph s ILE 77 Ca 0.30 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 2pph s ILE 77 Cb -0.13 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2pph s ILE 77 CO 0.20 0.33 0.06 -0.76 0.00 0.00 0.00 174.94 174.77 2pph s LEU 78 N 0.62 3.79 -0.15 2.97 2.01 -0.84 -3.17 118.68 123.91 2pph s LEU 78 Ca -0.13 0.07 -0.16 0.00 0.01 0.00 0.00 54.13 53.92 2pph s LEU 78 Cb -0.15 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 2pph s LEU 78 CO 0.03 0.17 0.41 -0.76 1.01 0.00 0.00 176.35 177.20 2pph s LEU 79 N 0.41 4.24 -0.02 1.79 1.43 -1.14 -1.80 118.68 123.60 2pph s LEU 79 Ca 0.03 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2pph s LEU 79 Cb -0.12 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.55 2pph s LEU 79 CO 0.00 0.01 -0.00 -0.76 0.23 0.00 0.00 176.35 175.83 2pph s LEU 80 N 0.71 1.50 -0.12 1.79 1.02 -1.03 -4.89 118.68 117.67 2pph s LEU 80 Ca 0.22 -0.02 -0.29 0.00 0.02 0.00 0.00 54.13 54.05 2pph s LEU 80 Cb -0.14 -0.16 -0.06 0.00 0.02 0.00 0.00 46.19 45.85 2pph s LEU 80 CO 0.08 -0.05 1.93 -0.44 0.02 0.00 0.00 176.35 177.89 2pph s SER 81 N 0.58 6.12 -0.34 2.29 0.01 -1.26 -0.16 113.70 120.94 2pph s SER 81 Ca -0.05 2.11 0.07 0.00 1.31 0.00 0.00 55.95 59.38 2pph s SER 81 Cb -0.08 -2.52 0.49 0.00 0.21 0.00 0.00 66.02 64.12 2pph s SER 81 CO -0.01 -1.40 1.49 0.00 0.41 0.00 0.00 173.24 173.73 2pph n GLN 82 N 7.95 2.32 -1.79 12.44 1.13 -1.10 -4.80 117.38 133.52 2pph n GLN 82 Ca 0.23 -3.42 -0.34 0.00 -1.94 0.00 0.00 57.00 51.53 2pph n GLN 82 Cb 0.44 -1.98 -0.03 0.00 0.11 0.00 0.00 30.24 28.78 2pph n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2pph n ASP 83 N -1.02 7.20 -0.02 1.08 2.03 -1.26 -4.21 116.55 120.36 2pph n ASP 83 Ca 0.40 -3.26 -0.03 0.00 0.52 0.00 0.00 54.79 52.41 2pph n ASP 83 Cb 0.99 -1.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 2pph n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2pph n ARG 84 N 1.02 0.09 -2.87 -0.67 5.12 -1.26 -4.97 116.66 113.11 2pph n ARG 84 Ca 0.54 0.03 -0.43 0.00 -1.93 0.00 0.00 57.85 56.06 2pph n ARG 84 Cb 0.39 -0.96 -0.04 0.00 -1.16 0.00 0.00 32.46 30.69 2pph n ARG 84 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2pph s ASN 85 N -4.61 6.52 -0.16 0.55 3.84 -1.26 -4.87 114.94 114.95 2pph s ASN 85 Ca -0.05 0.18 0.02 0.00 0.21 0.00 0.00 52.86 53.22 2pph s ASN 85 Cb 0.01 -2.43 -0.11 0.00 -0.55 0.00 0.00 41.25 38.18 2pph s ASN 85 CO 0.08 -0.94 -0.14 0.18 -2.79 0.00 0.00 177.10 173.49 2pph n LEU 86 N 6.89 2.87 -2.13 3.21 4.77 -1.26 -5.11 117.00 126.24 2pph n LEU 86 Ca 0.05 -0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 55.91 2pph n LEU 86 Cb 0.48 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2pph n LEU 86 CO 0.60 0.76 -0.41 -0.62 -1.33 0.00 0.00 177.39 176.39 2pph n GLU 87 N -2.96 -3.03 -2.28 3.23 -0.58 -1.26 -5.09 120.64 108.68 2pph n GLU 87 Ca -0.29 2.44 -0.10 0.00 -0.42 0.00 0.00 57.16 58.80 2pph n GLU 87 Cb 0.81 -3.52 0.01 0.00 -0.57 0.00 0.00 31.44 28.17 2pph n GLU 87 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2pph n HIS 88 N 1.10 -1.51 -0.71 -0.32 -0.00 -1.26 -5.00 115.22 107.53 2pph n HIS 88 Ca -0.22 -0.91 0.09 0.00 0.46 0.00 0.00 57.72 57.14 2pph n HIS 88 Cb 0.34 -0.19 -0.03 0.00 -0.12 0.00 0.00 29.99 30.00 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 -1.13 -1.80 0.15 1.57 8.25 -1.26 -4.23 115.22 116.76 2pph n HIS 89 Ca 0.01 0.92 0.08 0.00 -0.26 0.00 0.00 57.72 58.47 2pph n HIS 89 Cb 0.25 -1.64 0.58 0.00 1.12 0.00 0.00 29.99 30.30 2pph n HIS 89 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2pph h HIS 90 N -0.67 0.17 -2.63 4.41 -0.00 -2.05 -3.43 115.15 110.96 2pph h HIS 90 Ca -0.01 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.84 2pph h HIS 90 Cb 0.65 -0.06 0.04 0.00 -0.00 0.00 0.00 27.41 28.05 2pph h HIS 90 CO -0.94 0.10 1.04 -1.01 -0.00 0.00 0.00 177.93 177.12 2pph s HIS 91 N -5.20 2.50 -0.26 6.12 4.02 -1.26 -4.07 115.29 117.14 2pph s HIS 91 Ca -0.06 0.21 -0.01 0.00 1.02 0.00 0.00 55.06 56.23 2pph s HIS 91 Cb 0.17 -4.10 0.00 0.00 -1.02 0.00 0.00 32.58 27.64 2pph s HIS 91 CO 0.70 -4.36 0.03 1.58 1.02 0.00 0.00 174.74 173.70 2pph n HIS 92 N 5.02 -3.26 0.57 1.40 -0.00 -1.26 -4.63 115.22 113.06 2pph n HIS 92 Ca 0.16 1.44 0.07 0.00 -0.00 0.00 0.00 57.72 59.39 2pph n HIS 92 Cb 0.38 -3.57 0.06 0.00 -0.00 0.00 0.00 29.99 26.86 2pph n HIS 92 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92