#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 -1.84 -2.71 1.08 3.41 -1.26 -4.71 113.62 107.58 2pph n SER 2 Ca 0.00 -2.71 -0.03 0.00 -0.26 0.00 0.00 58.87 55.87 2pph n SER 2 Cb 0.00 0.58 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 2pph n SER 2 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2pph s ASP 3 N 0.10 -0.74 0.09 4.04 -4.77 -1.24 -3.85 116.67 110.29 2pph s ASP 3 Ca 0.32 -0.87 -0.28 0.00 -3.30 0.00 0.00 52.55 48.42 2pph s ASP 3 Cb 0.05 0.97 -0.06 0.00 -1.09 0.00 0.00 42.92 42.79 2pph s ASP 3 CO -0.14 -0.03 0.88 -0.69 0.70 0.00 0.00 175.17 175.89 2pph s VAL 4 N 0.97 4.59 -0.37 2.11 1.01 0.58 -4.80 120.40 124.48 2pph s VAL 4 Ca 0.26 1.88 -0.15 0.00 0.00 0.00 0.00 61.98 63.96 2pph s VAL 4 Cb 0.08 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2pph s VAL 4 CO -0.09 0.34 0.35 -0.60 0.00 0.00 0.00 175.10 175.11 2pph s ARG 5 N -0.07 3.33 -0.09 2.72 3.52 -1.26 -0.69 118.95 126.41 2pph s ARG 5 Ca 0.43 -0.65 0.02 0.00 -0.13 0.00 0.00 55.73 55.40 2pph s ARG 5 Cb -0.22 -3.88 -0.02 0.00 -1.56 0.00 0.00 34.95 29.27 2pph s ARG 5 CO 0.27 -0.64 -0.15 0.42 -0.81 0.00 0.00 175.30 174.40 2pph s ILE 6 N 1.95 2.97 -0.32 4.11 1.09 -0.20 -2.89 121.20 127.91 2pph s ILE 6 Ca 0.10 -0.72 -0.10 0.00 -1.10 0.00 0.00 60.65 58.83 2pph s ILE 6 Cb -0.17 -2.20 -0.00 0.00 -1.06 0.00 0.00 42.46 39.02 2pph s ILE 6 CO 0.12 0.55 0.16 -0.54 -0.10 0.00 0.00 174.94 175.13 2pph s LYS 7 N -0.09 3.25 -0.05 2.79 1.02 -0.97 -1.83 119.74 123.85 2pph s LYS 7 Ca -0.02 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.15 2pph s LYS 7 Cb -0.14 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 2pph s LYS 7 CO 0.04 -0.47 0.11 -0.06 -0.92 0.00 0.00 175.35 174.05 2pph s PHE 8 N 1.60 3.42 -0.05 3.18 0.08 -0.59 -3.73 117.98 121.88 2pph s PHE 8 Ca 0.04 0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.43 2pph s PHE 8 Cb -0.17 -1.82 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 2pph s PHE 8 CO 0.06 0.61 -0.06 -2.00 -0.10 0.00 0.00 175.22 173.73 2pph s GLU 9 N -1.49 1.04 -0.11 0.44 2.12 -1.25 -0.49 118.70 118.96 2pph s GLU 9 Ca 0.21 -0.18 -0.03 0.00 0.36 0.00 0.00 54.97 55.33 2pph s GLU 9 Cb -0.12 -0.98 0.04 0.00 0.26 0.00 0.00 34.13 33.33 2pph s GLU 9 CO 0.11 -0.06 0.07 -1.58 -0.54 0.00 0.00 175.26 173.26 2pph s HIS 10 N 0.87 0.23 -1.57 5.30 2.46 0.22 -3.41 115.29 119.40 2pph s HIS 10 Ca -0.12 -0.09 -0.04 0.00 0.47 0.00 0.00 55.06 55.28 2pph s HIS 10 Cb -0.15 -0.63 0.01 0.00 -0.13 0.00 0.00 32.58 31.68 2pph s HIS 10 CO 0.01 -0.37 0.50 -1.71 -2.47 0.00 0.00 174.74 170.70 2pph n ASN 11 N 5.26 -5.92 0.00 9.88 4.05 -1.26 -1.26 115.26 126.01 2pph n ASN 11 Ca -0.05 -0.24 0.00 0.00 0.45 0.00 0.00 54.58 54.73 2pph n ASN 11 Cb 0.49 -4.81 0.00 0.00 1.23 0.00 0.00 39.78 36.69 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2pph n GLY 12 N -1.41 2.28 3.64 8.20 0.00 -1.26 -5.02 105.19 111.62 2pph n GLY 12 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2pph n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pph s GLU 13 N -0.47 4.14 0.04 1.61 2.56 -0.39 -5.05 118.70 121.15 2pph s GLU 13 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 54.97 55.85 2pph s GLU 13 Cb 0.00 -3.66 -0.04 0.00 2.00 0.00 0.00 34.13 32.43 2pph s GLU 13 CO 0.00 -0.56 0.20 1.03 -0.56 0.00 0.00 175.26 175.38 2pph s ARG 14 N 2.89 3.44 -0.04 4.30 3.00 -1.26 -0.61 118.95 130.67 2pph s ARG 14 Ca 0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 55.73 55.61 2pph s ARG 14 Cb -0.15 -3.05 0.01 0.00 0.00 0.00 0.00 34.95 31.76 2pph s ARG 14 CO 0.08 0.63 0.15 1.03 0.00 0.00 0.00 175.30 177.19 2pph s ARG 15 N -2.36 0.29 -0.28 3.54 0.52 0.36 -4.99 118.95 116.03 2pph s ARG 15 Ca 0.33 -0.02 -0.10 0.00 -0.52 0.00 0.00 55.73 55.43 2pph s ARG 15 Cb -0.13 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 2pph s ARG 15 CO 0.26 -0.06 0.14 0.42 0.02 0.00 0.00 175.30 176.08 2pph s ILE 16 N -0.47 4.82 -0.03 1.52 1.01 -1.26 -1.55 121.20 125.24 2pph s ILE 16 Ca -0.06 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.54 2pph s ILE 16 Cb -0.04 -3.33 -0.00 0.00 0.01 0.00 0.00 42.46 39.11 2pph s ILE 16 CO 0.01 0.23 -0.13 -0.63 0.00 0.00 0.00 174.94 174.41 2pph s ILE 17 N 1.68 1.12 -0.08 2.92 1.01 -0.76 -5.02 121.20 122.07 2pph s ILE 17 Ca 0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 2pph s ILE 17 Cb -0.16 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2pph s ILE 17 CO 0.07 0.33 0.04 0.00 0.00 0.00 0.00 174.94 175.39 2pph s ALA 18 N 0.07 3.45 -0.12 9.38 0.00 -1.26 -1.03 121.76 132.25 2pph s ALA 18 Ca -0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 2pph s ALA 18 Cb -0.10 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.46 2pph s ALA 18 CO 0.01 0.61 -0.09 -0.06 0.00 0.00 0.00 175.76 176.23 2pph s PHE 19 N -0.97 1.66 -0.02 0.00 0.08 0.14 -4.92 117.98 113.95 2pph s PHE 19 Ca 0.15 -0.87 -0.30 0.00 0.12 0.00 0.00 56.93 56.03 2pph s PHE 19 Cb -0.12 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 2pph s PHE 19 CO 0.05 -0.56 1.27 0.45 -0.10 0.00 0.00 175.22 176.33 2pph s SER 20 N 1.65 6.98 0.57 1.36 0.15 -1.26 -0.31 113.70 122.85 2pph s SER 20 Ca 0.05 1.94 -0.20 0.00 0.70 0.00 0.00 55.95 58.44 2pph s SER 20 Cb -0.13 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2pph s SER 20 CO -0.09 -0.62 1.27 -0.13 1.20 0.00 0.00 173.24 174.88 2pph s ARG 21 N 2.14 3.05 0.12 5.44 0.52 -1.25 -4.07 118.95 124.90 2pph s ARG 21 Ca 0.59 2.02 -0.30 0.00 -0.52 0.00 0.00 55.73 57.52 2pph s ARG 21 Cb -0.28 -2.09 -0.06 0.00 0.52 0.00 0.00 34.95 33.04 2pph s ARG 21 CO 0.24 -1.19 1.06 -1.25 0.02 0.00 0.00 175.30 174.18 2pph s PRO 22 N -3.10 4.60 -0.37 3.54 0.04 -1.26 -4.86 135.00 133.59 2pph s PRO 22 Ca 0.75 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 2pph s PRO 22 Cb -0.35 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 30.87 2pph s PRO 22 CO 0.40 0.06 1.12 0.54 0.04 0.00 0.00 177.00 179.16 2pph s VAL 23 N 0.15 4.38 -0.10 -0.36 0.11 -1.26 -5.02 120.40 118.30 2pph s VAL 23 Ca 0.50 1.53 -0.05 0.00 -2.93 0.00 0.00 61.98 61.04 2pph s VAL 23 Cb -0.27 -4.45 -0.04 0.00 -1.53 0.00 0.00 36.38 30.10 2pph s VAL 23 CO 0.32 -0.65 0.09 -0.54 -3.33 0.00 0.00 175.10 170.99 2pph s LYS 24 N 3.96 3.27 0.30 1.54 1.02 -1.26 -5.01 119.74 123.56 2pph s LYS 24 Ca 0.47 -0.25 -0.01 0.00 0.02 0.00 0.00 55.97 56.20 2pph s LYS 24 Cb -0.11 -3.04 0.46 0.00 -0.52 0.00 0.00 37.83 34.62 2pph s LYS 24 CO 0.21 0.74 1.95 -0.92 -0.92 0.00 0.00 175.35 176.41 2pph h TYR 25 N 4.93 1.06 -0.49 3.18 3.20 -1.95 -1.60 116.97 125.30 2pph h TYR 25 Ca -0.53 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2pph h TYR 25 Cb 1.21 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 2pph h TYR 25 CO 0.71 0.63 0.31 0.93 -1.64 0.00 0.00 178.16 179.10 2pph h GLU 26 N 1.11 0.65 -0.47 1.82 5.08 -1.97 0.57 114.58 121.37 2pph h GLU 26 Ca 0.34 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2pph h GLU 26 Cb -0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2pph h GLU 26 CO -0.09 0.45 -0.01 -0.44 -1.00 0.00 0.00 179.01 177.92 2pph h ASP 27 N 0.65 0.82 -0.04 1.42 5.19 -1.86 0.40 116.42 123.01 2pph h ASP 27 Ca 0.18 -0.31 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 2pph h ASP 27 Cb -0.04 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.25 2pph h ASP 27 CO -0.04 0.93 -0.05 0.58 -3.12 0.00 0.00 179.24 177.55 2pph h VAL 28 N 0.68 1.40 -0.49 -1.35 2.07 -1.08 -2.72 116.25 114.77 2pph h VAL 28 Ca 0.13 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2pph h VAL 28 Cb 0.51 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 2pph h VAL 28 CO 0.03 0.34 0.26 -0.08 0.02 0.00 0.00 177.57 178.14 2pph h GLU 29 N -0.39 0.69 -0.92 1.57 4.22 0.13 -1.61 114.58 118.27 2pph h GLU 29 Ca 0.00 -0.08 0.04 0.00 0.08 0.00 0.00 59.36 59.40 2pph h GLU 29 Cb 0.57 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2pph h GLU 29 CO 0.01 0.55 0.60 0.45 -2.18 0.00 0.00 179.01 178.44 2pph h HIS 30 N 0.65 1.11 -0.13 0.92 3.86 -0.97 0.11 115.15 120.70 2pph h HIS 30 Ca 0.17 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 2pph h HIS 30 Cb 0.06 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.16 2pph h HIS 30 CO -0.02 0.63 -0.02 -0.22 0.86 0.00 0.00 177.93 179.17 2pph h LYS 31 N 1.14 0.25 -0.48 2.45 3.64 -1.13 -1.58 116.57 120.86 2pph h LYS 31 Ca 0.37 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 2pph h LYS 31 Cb 0.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2pph h LYS 31 CO -0.12 0.53 0.23 0.28 -2.27 0.00 0.00 179.45 178.09 2pph h VAL 32 N -0.04 1.19 -0.78 2.00 2.07 -0.86 -0.22 116.25 119.61 2pph h VAL 32 Ca 0.04 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2pph h VAL 32 Cb 0.43 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2pph h VAL 32 CO 0.01 0.21 0.36 0.74 0.02 0.00 0.00 177.57 178.92 2pph h THR 33 N 0.63 1.25 -0.13 2.57 2.02 -0.79 -1.51 112.91 116.95 2pph h THR 33 Ca 0.16 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.54 2pph h THR 33 Cb 0.13 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2pph h THR 33 CO -0.02 0.30 -0.29 0.74 0.37 0.00 0.00 175.52 176.62 2pph h THR 34 N 1.11 1.37 0.02 3.16 2.02 -1.02 0.59 112.91 120.17 2pph h THR 34 Ca 0.27 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 2pph h THR 34 Cb 0.13 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2pph h THR 34 CO -0.03 0.46 -0.01 0.58 0.37 0.00 0.00 175.52 176.89 2pph h VAL 35 N 0.03 0.99 0.00 3.16 2.07 -0.91 -3.03 116.25 118.55 2pph h VAL 35 Ca 0.00 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.38 2pph h VAL 35 Cb 0.89 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2pph h VAL 35 CO 0.06 0.00 -0.72 -0.26 0.02 0.00 0.00 177.57 176.68 2pph h PHE 36 N -0.03 0.00 -0.14 1.57 0.04 -1.37 -3.48 116.94 113.53 2pph h PHE 36 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2pph h PHE 36 Cb 0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2pph h PHE 36 CO -0.08 0.52 -0.04 0.41 -0.60 0.00 0.00 178.31 178.53 2pph n GLY 37 N 1.26 0.49 3.32 -1.45 0.00 0.20 -5.04 105.19 103.97 2pph n GLY 37 Ca -0.01 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.57 0.83 -1.08 1.61 -0.21 -0.94 -5.00 119.66 112.31 2pph s GLN 38 Ca 0.00 -0.20 -0.23 0.00 0.02 0.00 0.00 55.36 54.96 2pph s GLN 38 Cb 0.00 0.37 -0.03 0.00 1.00 0.00 0.00 33.01 34.35 2pph s GLN 38 CO 0.00 -0.26 1.84 -1.25 -2.12 0.00 0.00 175.29 173.50 2pph s PRO 39 N -1.79 2.88 0.23 2.91 0.04 -1.26 -4.36 135.00 133.65 2pph s PRO 39 Ca -0.10 -0.97 -0.19 0.00 0.04 0.00 0.00 61.00 59.78 2pph s PRO 39 Cb -0.02 -5.24 -0.08 0.00 0.04 0.00 0.00 34.50 29.19 2pph s PRO 39 CO 0.02 -3.28 0.72 -0.51 0.04 0.00 0.00 177.00 173.99 2pph s LEU 40 N 8.90 4.31 -0.08 -3.56 1.02 -1.26 -3.90 118.68 124.11 2pph s LEU 40 Ca 0.64 1.39 -0.10 0.00 0.02 0.00 0.00 54.13 56.09 2pph s LEU 40 Cb -0.02 -3.63 -0.05 0.00 0.02 0.00 0.00 46.19 42.52 2pph s LEU 40 CO 0.04 0.01 0.23 -0.62 0.02 0.00 0.00 176.35 176.03 2pph s ASP 41 N -1.72 6.52 -0.21 2.29 2.15 0.01 -4.88 116.67 120.84 2pph s ASP 41 Ca 0.44 0.63 -0.12 0.00 0.43 0.00 0.00 52.55 53.93 2pph s ASP 41 Cb -0.16 -2.13 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 2pph s ASP 41 CO 0.21 0.38 0.20 -0.76 -0.17 0.00 0.00 175.17 175.03 2pph s LEU 42 N -1.01 4.18 -0.24 -1.34 1.43 -1.26 -2.39 118.68 118.06 2pph s LEU 42 Ca 0.18 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2pph s LEU 42 Cb -0.14 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2pph s LEU 42 CO 0.07 0.10 -0.07 -1.00 0.23 0.00 0.00 176.35 175.67 2pph s HIS 43 N 0.72 3.02 -0.47 0.29 3.76 -0.98 -1.41 115.29 120.23 2pph s HIS 43 Ca 0.11 -1.49 -0.21 0.00 -0.15 0.00 0.00 55.06 53.32 2pph s HIS 43 Cb -0.13 -2.05 0.04 0.00 1.11 0.00 0.00 32.58 31.55 2pph s HIS 43 CO 0.02 -0.71 0.67 -0.47 -0.85 0.00 0.00 174.74 173.40 2pph s TYR 44 N 1.34 3.03 -0.28 1.40 5.04 0.18 -2.59 117.35 125.47 2pph s TYR 44 Ca 0.01 -0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 54.36 2pph s TYR 44 Cb -0.16 -3.49 -0.02 0.00 0.35 0.00 0.00 41.96 38.64 2pph s TYR 44 CO -0.05 -0.98 0.12 -1.64 -1.34 0.00 0.00 175.55 171.66 2pph s MET 45 N 2.90 3.48 -0.07 4.97 -1.94 -1.26 0.14 119.30 127.52 2pph s MET 45 Ca 0.21 -0.61 -0.07 0.00 -1.71 0.00 0.00 55.69 53.51 2pph s MET 45 Cb -0.15 -3.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 2pph s MET 45 CO 0.17 -0.32 0.29 -0.97 -0.01 0.00 0.00 175.02 174.18 2pph h ASN 46 N 8.30 -0.21 0.00 3.03 -0.73 -1.86 -3.47 115.58 120.63 2pph h ASN 46 Ca -0.35 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.83 2pph h ASN 46 Cb 1.16 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.80 2pph h ASN 46 CO 0.60 0.26 0.00 -3.20 -0.37 0.00 0.00 177.43 174.71 2pph n ASN 47 N -4.94 -0.04 -0.09 1.15 5.15 -1.26 -4.97 115.26 110.26 2pph n ASN 47 Ca -0.03 0.06 -0.10 0.00 -0.60 0.00 0.00 54.58 53.91 2pph n ASN 47 Cb 0.10 0.12 -0.12 0.00 -0.53 0.00 0.00 39.78 39.34 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2pph n GLU 48 N -2.14 1.13 -4.44 1.20 1.02 -1.26 -5.02 120.64 111.14 2pph n GLU 48 Ca 0.00 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 2pph n GLU 48 Cb 0.00 -1.43 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 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 -5.43 2.51 -0.11 -4.62 2.96 -1.26 -5.14 118.68 107.60 2pph s LEU 49 Ca -0.12 -0.92 0.02 0.00 -0.22 0.00 0.00 54.13 52.89 2pph s LEU 49 Cb 0.05 -1.16 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 2pph s LEU 49 CO 0.64 0.09 -0.18 -0.55 -1.32 0.00 0.00 176.35 175.03 2pph s SER 50 N -2.99 3.60 -0.10 3.68 0.15 -1.26 -2.50 113.70 114.28 2pph s SER 50 Ca 0.24 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.49 2pph s SER 50 Cb -0.07 -1.41 -0.02 0.00 -1.71 0.00 0.00 66.02 62.82 2pph s SER 50 CO 0.12 0.19 -0.14 -0.63 1.20 0.00 0.00 173.24 173.98 2pph s ILE 51 N 0.21 3.02 -0.11 6.45 -1.09 0.12 -4.99 121.20 124.81 2pph s ILE 51 Ca -0.11 -0.70 -0.12 0.00 -2.23 0.00 0.00 60.65 57.49 2pph s ILE 51 Cb -0.16 -2.23 -0.05 0.00 -1.58 0.00 0.00 42.46 38.44 2pph s ILE 51 CO 0.06 0.55 0.28 -0.22 -1.23 0.00 0.00 174.94 174.38 2pph s LEU 52 N -0.07 4.34 -0.62 2.97 0.20 -1.26 0.49 118.68 124.74 2pph s LEU 52 Ca -0.03 0.61 -0.23 0.00 0.69 0.00 0.00 54.13 55.17 2pph s LEU 52 Cb -0.14 -2.34 0.06 0.00 -0.43 0.00 0.00 46.19 43.34 2pph s LEU 52 CO 0.04 0.24 0.94 -0.76 -0.29 0.00 0.00 176.35 176.52 2pph s LEU 53 N -0.32 4.32 -0.16 -0.68 1.43 -0.50 -4.81 118.68 117.95 2pph s LEU 53 Ca 0.18 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 2pph s LEU 53 Cb -0.14 -2.55 -0.14 0.00 0.03 0.00 0.00 46.19 43.40 2pph s LEU 53 CO 0.06 -1.35 -0.06 0.29 0.23 0.00 0.00 176.35 175.52 2pph n LYS 54 N 7.56 1.07 -4.21 1.70 4.76 -1.26 -4.56 118.16 123.23 2pph n LYS 54 Ca -0.02 0.05 -0.18 0.00 -2.87 0.00 0.00 58.31 55.28 2pph n LYS 54 Cb 0.46 -1.35 -0.06 0.00 -1.84 0.00 0.00 35.03 32.23 2pph n LYS 54 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2pph n ASN 55 N -2.77 -0.95 0.03 4.39 0.23 -1.26 -5.04 115.26 109.89 2pph n ASN 55 Ca -0.27 -3.15 0.03 0.00 -0.53 0.00 0.00 54.58 50.66 2pph n ASN 55 Cb 0.89 2.01 0.41 0.00 -2.08 0.00 0.00 39.78 41.01 2pph n ASN 55 CO 0.00 0.00 0.00 -0.61 -0.93 0.00 0.00 177.26 175.72 2pph h GLN 56 N 0.00 0.46 -0.82 -3.83 4.15 -1.99 -2.49 115.11 110.59 2pph h GLN 56 Ca -0.25 -0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.25 2pph h GLN 56 Cb 1.23 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.73 2pph h GLN 56 CO 0.36 0.37 0.42 -0.44 -1.93 0.00 0.00 178.83 177.61 2pph h ASP 57 N 0.47 0.53 -0.37 -0.69 5.19 -1.98 0.55 116.42 120.12 2pph h ASP 57 Ca 0.12 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.57 2pph h ASP 57 Cb 0.06 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 2pph h ASP 57 CO -0.02 0.25 0.05 0.44 -3.12 0.00 0.00 179.24 176.85 2pph h ASP 58 N 0.64 0.58 -0.51 6.45 3.32 -1.80 -1.90 116.42 123.21 2pph h ASP 58 Ca 0.43 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 2pph h ASP 58 Cb 0.56 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2pph h ASP 58 CO -0.33 0.70 -0.17 0.25 -1.72 0.00 0.00 179.24 177.97 2pph h LEU 59 N 0.45 1.03 -0.63 1.55 5.85 -1.24 -2.06 115.31 120.25 2pph h LEU 59 Ca 0.11 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2pph h LEU 59 Cb 0.37 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2pph h LEU 59 CO 0.01 1.17 0.36 -0.78 -0.34 0.00 0.00 178.44 178.86 2pph h ASP 60 N 0.87 0.77 -0.44 1.25 3.58 0.15 -0.10 116.42 122.50 2pph h ASP 60 Ca 0.12 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2pph h ASP 60 Cb 0.75 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 2pph h ASP 60 CO 0.06 0.62 0.11 0.50 -2.88 0.00 0.00 179.24 177.65 2pph h LYS 61 N 0.86 0.69 -0.38 0.28 3.64 -1.27 -0.97 116.57 119.42 2pph h LYS 61 Ca 0.22 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2pph h LYS 61 Cb 0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2pph h LYS 61 CO -0.04 0.69 0.19 0.00 -2.27 0.00 0.00 179.45 178.02 2pph h ALA 62 N 0.97 0.48 -0.47 5.00 0.00 -1.02 -2.11 119.26 122.11 2pph h ALA 62 Ca 0.14 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2pph h ALA 62 Cb 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2pph h ALA 62 CO 0.00 0.04 -0.02 0.82 0.00 0.00 0.00 179.25 180.09 2pph h ILE 63 N 0.47 1.26 -0.53 0.00 2.04 -0.96 -1.29 117.51 118.51 2pph h ILE 63 Ca 0.13 -1.10 0.05 0.00 1.00 0.00 0.00 64.86 64.94 2pph h ILE 63 Cb 0.11 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 2pph h ILE 63 CO -0.02 0.38 0.26 -0.78 0.00 0.00 0.00 178.15 177.99 2pph h ASP 64 N 0.69 0.36 -0.31 1.72 1.82 -1.03 0.90 116.42 120.58 2pph h ASP 64 Ca 0.13 0.03 -0.15 0.00 -0.39 0.00 0.00 57.03 56.66 2pph h ASP 64 Cb 0.54 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 2pph h ASP 64 CO 0.03 0.25 -0.39 0.40 -1.61 0.00 0.00 179.24 177.92 2pph h ILE 65 N 0.50 1.29 -0.29 2.25 2.04 -1.30 -2.42 117.51 119.57 2pph h ILE 65 Ca 0.24 -1.57 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 2pph h ILE 65 Cb 0.17 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2pph h ILE 65 CO -0.18 0.51 0.17 0.25 0.00 0.00 0.00 178.15 178.90 2pph h LEU 66 N 0.59 0.36 -1.01 1.44 5.85 -0.84 -2.12 115.31 119.58 2pph h LEU 66 Ca 0.04 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2pph h LEU 66 Cb 0.98 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2pph h LEU 66 CO 0.09 0.32 0.34 -0.78 -0.34 0.00 0.00 178.44 178.07 2pph h ASP 67 N 0.36 0.95 -0.25 1.25 1.82 -0.85 -2.35 116.42 117.36 2pph h ASP 67 Ca 0.10 -0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 2pph h ASP 67 Cb 0.04 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.79 2pph h ASP 67 CO -0.02 0.81 0.08 0.03 -1.61 0.00 0.00 179.24 178.53 2pph h ARG 68 N 1.04 0.46 -5.61 0.28 2.47 -1.08 -3.38 114.38 108.56 2pph h ARG 68 Ca 0.25 -0.07 -0.62 0.00 -1.26 0.00 0.00 59.98 58.28 2pph h ARG 68 Cb 0.12 -0.08 -0.14 0.00 -1.65 0.00 0.00 29.97 28.23 2pph h ARG 68 CO -0.03 0.43 0.52 0.45 0.56 0.00 0.00 179.97 181.90 2pph s SER 69 N -6.75 6.25 0.43 7.04 0.15 -0.83 -4.90 113.70 115.10 2pph s SER 69 Ca -0.07 -0.68 0.11 0.00 0.70 0.00 0.00 55.95 56.00 2pph s SER 69 Cb 0.16 -2.42 0.96 0.00 -1.71 0.00 0.00 66.02 63.01 2pph s SER 69 CO 0.74 -1.30 2.03 0.77 1.20 0.00 0.00 173.24 176.68 2pph h SER 70 N 9.41 0.22 -0.72 5.45 4.64 -1.80 -2.54 113.55 128.21 2pph h SER 70 Ca -0.27 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2pph h SER 70 Cb 1.07 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.07 2pph h SER 70 CO 1.12 0.25 0.46 0.28 -0.87 0.00 0.00 176.83 178.07 2pph h SER 71 N 0.25 0.84 -4.12 4.97 0.02 -1.92 -3.43 113.55 110.16 2pph h SER 71 Ca 0.06 -0.04 -0.51 0.00 -0.84 0.00 0.00 61.79 60.46 2pph h SER 71 Cb 0.14 -0.21 0.09 0.00 0.14 0.00 0.00 62.40 62.56 2pph h SER 71 CO -0.00 0.62 0.42 -0.04 -1.14 0.00 0.00 176.83 176.70 2pph s MET 72 N -6.08 3.10 0.14 3.45 1.00 -0.96 -4.98 119.30 114.97 2pph s MET 72 Ca -0.13 1.60 0.00 0.00 0.00 0.00 0.00 55.69 57.16 2pph s MET 72 Cb 0.15 -1.97 0.00 0.00 0.00 0.00 0.00 34.83 33.00 2pph s MET 72 CO 0.78 -1.05 0.00 1.63 0.00 0.00 0.00 175.02 176.37 2pph n LYS 73 N -1.69 0.00 -2.37 2.03 5.02 -1.26 -4.97 118.16 114.92 2pph n LYS 73 Ca 0.12 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.16 2pph n LYS 73 Cb 0.51 -0.05 0.08 0.00 -0.02 0.00 0.00 35.03 35.55 2pph n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2pph s SER 74 N -4.73 4.60 -0.17 4.39 0.15 -1.26 -4.72 113.70 111.96 2pph s SER 74 Ca 0.00 0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.74 2pph s SER 74 Cb 0.00 -0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 63.63 2pph s SER 74 CO 0.00 -1.69 -0.09 -0.76 1.20 0.00 0.00 173.24 171.90 2pph s LEU 75 N -5.18 2.82 -0.48 3.45 1.02 -1.14 -4.97 118.68 114.20 2pph s LEU 75 Ca 0.63 -0.34 -0.20 0.00 0.02 0.00 0.00 54.13 54.23 2pph s LEU 75 Cb -0.08 -1.67 0.04 0.00 0.02 0.00 0.00 46.19 44.49 2pph s LEU 75 CO 0.44 0.09 0.66 -0.13 0.02 0.00 0.00 176.35 177.43 2pph s ARG 76 N 0.81 3.20 -0.05 1.70 0.52 -1.26 -2.30 118.95 121.57 2pph s ARG 76 Ca -0.03 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 2pph s ARG 76 Cb -0.15 -4.03 0.01 0.00 0.52 0.00 0.00 34.95 31.30 2pph s ARG 76 CO 0.01 -1.15 -0.12 0.42 0.02 0.00 0.00 175.30 174.48 2pph s ILE 77 N 2.82 1.05 -0.21 1.52 1.01 -1.24 -4.11 121.20 122.04 2pph s ILE 77 Ca 0.19 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 2pph s ILE 77 Cb -0.16 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2pph s ILE 77 CO 0.15 0.33 0.11 -0.22 0.00 0.00 0.00 174.94 175.31 2pph s LEU 78 N 0.47 3.95 -0.17 2.97 2.96 -1.07 -3.88 118.68 123.91 2pph s LEU 78 Ca -0.10 0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.74 2pph s LEU 78 Cb -0.13 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 2pph s LEU 78 CO 0.02 0.12 0.41 -0.76 -1.32 0.00 0.00 176.35 174.83 2pph s LEU 79 N 0.71 4.21 0.01 -0.68 1.43 -1.22 -2.31 118.68 120.84 2pph s LEU 79 Ca 0.06 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2pph s LEU 79 Cb -0.13 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 2pph s LEU 79 CO 0.02 -0.02 -0.10 -0.76 0.23 0.00 0.00 176.35 175.71 2pph s LEU 80 N 0.94 2.09 -1.03 1.79 1.02 -1.00 -4.87 118.68 117.63 2pph s LEU 80 Ca 0.21 -0.30 -0.19 0.00 0.02 0.00 0.00 54.13 53.87 2pph s LEU 80 Cb -0.15 -0.47 0.10 0.00 0.02 0.00 0.00 46.19 45.70 2pph s LEU 80 CO 0.08 0.05 1.33 -0.94 0.02 0.00 0.00 176.35 176.89 2pph s SER 81 N -0.66 6.66 -0.70 2.29 1.04 -1.26 -0.81 113.70 120.25 2pph s SER 81 Ca 0.01 -2.00 0.05 0.00 0.48 0.00 0.00 55.95 54.49 2pph s SER 81 Cb -0.06 -2.47 0.21 0.00 0.10 0.00 0.00 66.02 63.80 2pph s SER 81 CO 0.00 -1.18 0.64 0.00 0.98 0.00 0.00 173.24 173.67 2pph n GLN 82 N 7.39 2.22 -3.02 4.02 1.13 -1.25 -5.01 117.38 122.86 2pph n GLN 82 Ca 0.31 -4.57 -0.44 0.00 -1.94 0.00 0.00 57.00 50.36 2pph n GLN 82 Cb 0.49 -2.29 -0.04 0.00 0.11 0.00 0.00 30.24 28.51 2pph n GLN 82 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2pph s ASP 83 N -1.79 6.36 -0.02 1.08 -4.77 -1.26 -4.74 116.67 111.53 2pph s ASP 83 Ca 0.31 -1.62 -0.02 0.00 -3.30 0.00 0.00 52.55 47.91 2pph s ASP 83 Cb 0.03 -2.35 0.01 0.00 -1.09 0.00 0.00 42.92 39.52 2pph s ASP 83 CO -0.10 -1.13 0.05 -1.14 0.70 0.00 0.00 175.17 173.55 2pph n ARG 84 N 6.49 -3.09 -3.16 2.11 0.63 -1.26 -4.91 116.66 113.46 2pph n ARG 84 Ca 0.04 2.46 -0.45 0.00 -0.92 0.00 0.00 57.85 58.97 2pph n ARG 84 Cb 0.45 -3.21 -0.01 0.00 0.45 0.00 0.00 32.46 30.14 2pph n ARG 84 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2pph s ASN 85 N -0.38 6.98 0.39 6.15 2.47 -1.26 -4.97 114.94 124.32 2pph s ASN 85 Ca -0.05 -2.91 0.00 0.00 0.42 0.00 0.00 52.86 50.32 2pph s ASN 85 Cb 0.00 -2.29 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 2pph s ASN 85 CO 0.14 -0.62 0.00 0.18 -3.72 0.00 0.00 177.10 173.08 2pph n LEU 86 N 4.48 -0.70 -4.36 3.21 7.99 -1.26 -4.59 117.00 121.76 2pph n LEU 86 Ca 0.24 1.60 -0.46 0.00 -0.01 0.00 0.00 56.01 57.39 2pph n LEU 86 Cb 0.44 -3.76 -0.01 0.00 -0.11 0.00 0.00 43.42 39.98 2pph n LEU 86 CO 0.47 -2.47 0.68 -1.61 -1.51 0.00 0.00 177.39 172.95 2pph s GLU 87 N -2.97 3.79 0.17 3.23 8.01 -1.26 -4.96 118.70 124.71 2pph s GLU 87 Ca 0.00 -2.54 -0.17 0.00 0.01 0.00 0.00 54.97 52.26 2pph s GLU 87 Cb 0.00 -4.59 0.06 0.00 -4.31 0.00 0.00 34.13 25.29 2pph s GLU 87 CO 0.00 -1.39 0.84 1.58 0.01 0.00 0.00 175.26 176.30 2pph n HIS 88 N 4.21 -1.34 -4.46 1.61 -0.00 -1.26 -5.16 115.22 108.82 2pph n HIS 88 Ca 0.20 -1.12 -0.31 0.00 0.46 0.00 0.00 57.72 56.94 2pph n HIS 88 Cb 0.45 0.55 -0.16 0.00 -0.12 0.00 0.00 29.99 30.71 2pph n HIS 88 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2pph s HIS 89 N -2.81 2.41 -0.41 1.57 2.46 -1.26 -5.06 115.29 112.19 2pph s HIS 89 Ca 0.18 -1.24 -0.03 0.00 0.47 0.00 0.00 55.06 54.44 2pph s HIS 89 Cb -0.03 -1.68 0.11 0.00 -0.13 0.00 0.00 32.58 30.85 2pph s HIS 89 CO 0.05 -0.61 0.21 -1.01 -2.47 0.00 0.00 174.74 170.91 2pph s HIS 90 N 1.01 3.56 -0.05 3.88 3.76 -1.26 -5.07 115.29 121.12 2pph s HIS 90 Ca -0.04 -2.35 0.02 0.00 -0.15 0.00 0.00 55.06 52.55 2pph s HIS 90 Cb -0.15 -3.20 0.01 0.00 1.11 0.00 0.00 32.58 30.35 2pph s HIS 90 CO -0.04 -0.97 -0.12 -1.01 -0.85 0.00 0.00 174.74 171.76 2pph s HIS 91 N 1.16 1.32 -0.16 1.40 3.76 -1.26 -5.12 115.29 116.38 2pph s HIS 91 Ca 0.08 -0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 54.52 2pph s HIS 91 Cb -0.23 -0.96 0.05 0.00 1.11 0.00 0.00 32.58 32.56 2pph s HIS 91 CO -0.04 -0.21 0.04 -1.01 -0.85 0.00 0.00 174.74 172.67 2pph s HIS 92 N 0.49 0.80 0.00 1.40 3.76 -1.26 -5.36 115.29 115.12 2pph s HIS 92 Ca -0.10 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 2pph s HIS 92 Cb -0.14 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.64 2pph s HIS 92 CO 0.02 -0.53 0.00 1.58 -0.85 0.00 0.00 174.74 174.96