#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pph s SER 2 N 0.00 -0.52 -0.31 1.08 0.01 -1.26 -5.06 113.70 107.64 2pph s SER 2 Ca 0.00 0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.28 2pph s SER 2 Cb 0.00 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.80 2pph s SER 2 CO 0.00 -0.88 0.13 0.47 0.41 0.00 0.00 173.24 173.37 2pph n ASP 3 N -0.11 -7.87 -4.76 2.44 8.00 -1.26 -4.97 116.55 108.02 2pph n ASP 3 Ca -0.17 1.15 -0.39 0.00 0.71 0.00 0.00 54.79 56.09 2pph n ASP 3 Cb 0.63 -4.98 -0.05 0.00 -0.02 0.00 0.00 41.12 36.70 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 -1.77 4.81 -0.20 2.53 1.01 -0.79 -4.84 120.40 121.16 2pph s VAL 4 Ca 0.06 1.40 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 2pph s VAL 4 Cb -0.01 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2pph s VAL 4 CO 0.72 0.41 0.46 -0.13 0.00 0.00 0.00 175.10 176.57 2pph s ARG 5 N -0.23 4.18 -0.08 2.72 0.52 -1.26 -1.45 118.95 123.34 2pph s ARG 5 Ca 0.34 0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.88 2pph s ARG 5 Cb -0.19 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 2pph s ARG 5 CO 0.20 -0.11 -0.13 0.42 0.02 0.00 0.00 175.30 175.70 2pph s ILE 6 N 1.51 3.15 -0.27 1.52 1.01 -0.50 -3.68 121.20 123.93 2pph s ILE 6 Ca 0.22 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 2pph s ILE 6 Cb -0.15 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2pph s ILE 6 CO 0.09 0.57 0.38 -0.54 0.00 0.00 0.00 174.94 175.44 2pph s LYS 7 N -0.39 3.99 -0.11 2.79 -0.14 -0.39 -1.43 119.74 124.07 2pph s LYS 7 Ca 0.05 0.03 -0.02 0.00 -1.36 0.00 0.00 55.97 54.66 2pph s LYS 7 Cb -0.12 -3.66 -0.03 0.00 -1.68 0.00 0.00 37.83 32.33 2pph s LYS 7 CO 0.02 -0.29 -0.01 -0.06 -0.76 0.00 0.00 175.35 174.24 2pph s PHE 8 N 2.08 3.10 -0.06 3.18 0.40 0.14 -2.18 117.98 124.63 2pph s PHE 8 Ca 0.15 0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.55 2pph s PHE 8 Cb -0.16 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.54 2pph s PHE 8 CO 0.10 0.30 -0.14 -1.21 0.70 0.00 0.00 175.22 174.96 2pph s GLU 9 N -0.46 1.78 -0.09 0.44 2.02 -1.00 -0.23 118.70 121.16 2pph s GLU 9 Ca 0.08 -0.50 -0.04 0.00 0.02 0.00 0.00 54.97 54.53 2pph s GLU 9 Cb -0.12 -1.49 0.05 0.00 0.10 0.00 0.00 34.13 32.67 2pph s GLU 9 CO 0.02 0.11 0.19 -1.58 0.02 0.00 0.00 175.26 174.02 2pph s HIS 10 N 0.41 -0.25 -1.50 1.61 2.46 -0.83 -1.49 115.29 115.70 2pph s HIS 10 Ca -0.11 0.68 -0.06 0.00 0.47 0.00 0.00 55.06 56.05 2pph s HIS 10 Cb -0.14 -0.13 0.02 0.00 -0.13 0.00 0.00 32.58 32.20 2pph s HIS 10 CO 0.03 -0.26 0.57 -1.71 -2.47 0.00 0.00 174.74 170.91 2pph n ASN 11 N 4.90 -5.59 0.00 9.88 2.85 -1.26 -0.98 115.26 125.05 2pph n ASN 11 Ca -0.13 -0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.04 2pph n ASN 11 Cb 0.51 -4.54 0.00 0.00 1.24 0.00 0.00 39.78 36.99 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 -1.44 2.69 3.80 8.20 0.00 -1.26 -5.02 105.19 112.17 2pph n GLY 12 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.20 3.94 -0.11 1.61 2.02 -0.16 -5.06 118.70 120.75 2pph s GLU 13 Ca 0.00 1.35 -0.01 0.00 0.02 0.00 0.00 54.97 56.33 2pph s GLU 13 Cb 0.00 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 2pph s GLU 13 CO 0.00 -0.31 -0.07 -0.98 0.02 0.00 0.00 175.26 173.92 2pph s ARG 14 N -3.08 3.16 -0.00 1.61 1.70 -1.26 -1.96 118.95 119.10 2pph s ARG 14 Ca 0.65 -0.56 -0.01 0.00 -0.47 0.00 0.00 55.73 55.34 2pph s ARG 14 Cb -0.16 -2.71 -0.00 0.00 -0.57 0.00 0.00 34.95 31.51 2pph s ARG 14 CO 0.20 0.46 0.02 1.03 -1.08 0.00 0.00 175.30 175.93 2pph s ARG 15 N -0.25 0.13 -0.21 3.89 0.52 0.68 -5.02 118.95 118.70 2pph s ARG 15 Ca 0.03 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2pph s ARG 15 Cb -0.13 0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.41 2pph s ARG 15 CO 0.03 -0.02 -0.15 0.42 0.02 0.00 0.00 175.30 175.60 2pph s ILE 16 N -0.43 2.39 -0.09 1.52 1.01 -1.26 0.24 121.20 124.58 2pph s ILE 16 Ca -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2pph s ILE 16 Cb -0.03 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.35 2pph s ILE 16 CO -0.00 0.41 -0.14 -0.63 0.00 0.00 0.00 174.94 174.57 2pph s ILE 17 N 1.30 1.35 0.14 2.92 1.09 -0.51 -4.99 121.20 122.50 2pph s ILE 17 Ca 0.03 -0.57 -0.11 0.00 -1.10 0.00 0.00 60.65 58.89 2pph s ILE 17 Cb -0.15 -1.24 -0.07 0.00 -1.06 0.00 0.00 42.46 39.95 2pph s ILE 17 CO -0.09 0.41 0.49 0.00 -0.10 0.00 0.00 174.94 175.65 2pph s ALA 18 N 0.88 3.63 -0.02 9.38 0.00 -1.26 -1.41 121.76 132.96 2pph s ALA 18 Ca -0.10 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.62 2pph s ALA 18 Cb -0.15 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.57 2pph s ALA 18 CO 0.01 0.51 -0.05 -0.06 0.00 0.00 0.00 175.76 176.17 2pph s PHE 19 N -1.54 0.59 -0.11 0.00 0.40 -0.53 -4.97 117.98 111.83 2pph s PHE 19 Ca 0.39 -0.13 -0.28 0.00 -0.60 0.00 0.00 56.93 56.31 2pph s PHE 19 Cb -0.14 -0.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.90 2pph s PHE 19 CO 0.20 -0.09 0.93 -1.12 0.70 0.00 0.00 175.22 175.83 2pph s SER 20 N 0.42 7.16 0.24 1.36 0.01 -1.26 -1.88 113.70 119.75 2pph s SER 20 Ca -0.05 1.42 -0.05 0.00 1.31 0.00 0.00 55.95 58.58 2pph s SER 20 Cb -0.09 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 2pph s SER 20 CO -0.00 -0.39 0.50 0.00 0.41 0.00 0.00 173.24 173.75 2pph s ARG 21 N 1.85 3.63 -0.19 12.44 1.70 -1.26 -3.25 118.95 133.88 2pph s ARG 21 Ca 0.45 -0.05 -0.29 0.00 -0.47 0.00 0.00 55.73 55.37 2pph s ARG 21 Cb -0.18 -2.71 -0.01 0.00 -0.57 0.00 0.00 34.95 31.48 2pph s ARG 21 CO 0.17 0.30 1.23 -1.25 -1.08 0.00 0.00 175.30 174.67 2pph s PRO 22 N -3.30 4.21 -0.20 3.89 0.04 -1.26 -4.87 135.00 133.52 2pph s PRO 22 Ca 0.43 1.58 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 2pph s PRO 22 Cb -0.11 -3.75 -0.05 0.00 0.04 0.00 0.00 34.50 30.63 2pph s PRO 22 CO 0.28 -0.73 0.14 0.54 0.04 0.00 0.00 177.00 177.27 2pph s VAL 23 N 3.52 5.41 0.25 -0.36 0.11 -1.20 -5.09 120.40 123.04 2pph s VAL 23 Ca 0.53 0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 59.54 2pph s VAL 23 Cb -0.20 -3.47 -0.09 0.00 -1.53 0.00 0.00 36.38 31.09 2pph s VAL 23 CO 0.14 0.45 0.84 -0.54 -3.33 0.00 0.00 175.10 172.66 2pph s LYS 24 N 0.30 4.50 0.37 1.54 3.01 -1.26 -4.96 119.74 123.24 2pph s LYS 24 Ca 0.09 1.17 0.07 0.00 -1.01 0.00 0.00 55.97 56.28 2pph s LYS 24 Cb -0.11 -2.96 0.77 0.00 -1.01 0.00 0.00 37.83 34.52 2pph s LYS 24 CO -0.02 0.40 1.95 -0.92 0.51 0.00 0.00 175.35 177.27 2pph h TYR 25 N 3.57 0.74 -0.55 3.18 3.20 -1.97 -1.65 116.97 123.50 2pph h TYR 25 Ca -0.47 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.44 2pph h TYR 25 Cb 1.20 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 2pph h TYR 25 CO 0.63 0.38 0.34 1.49 -1.64 0.00 0.00 178.16 179.36 2pph h GLU 26 N 0.72 0.67 -0.68 1.82 4.81 -1.99 0.84 114.58 120.77 2pph h GLU 26 Ca 0.32 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2pph h GLU 26 Cb 0.33 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2pph h GLU 26 CO -0.11 0.44 0.15 -0.44 -0.73 0.00 0.00 179.01 178.32 2pph h ASP 27 N 0.69 1.05 -0.05 1.04 3.32 -1.72 -1.38 116.42 119.37 2pph h ASP 27 Ca 0.21 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2pph h ASP 27 Cb -0.02 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 2pph h ASP 27 CO -0.08 1.02 -0.02 0.58 -1.72 0.00 0.00 179.24 179.02 2pph h VAL 28 N 1.03 1.31 -0.99 -1.35 2.07 -1.00 -2.71 116.25 114.61 2pph h VAL 28 Ca 0.21 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2pph h VAL 28 Cb 0.39 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 2pph h VAL 28 CO 0.00 0.26 0.65 -0.08 0.02 0.00 0.00 177.57 178.43 2pph h GLU 29 N -0.26 1.26 -0.94 1.57 4.81 -0.80 -1.99 114.58 118.22 2pph h GLU 29 Ca 0.01 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2pph h GLU 29 Cb 0.43 -0.28 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 2pph h GLU 29 CO 0.01 0.83 0.62 1.25 -0.73 0.00 0.00 179.01 180.99 2pph h HIS 30 N 1.30 1.17 -0.11 0.92 2.76 -1.20 -1.10 115.15 118.88 2pph h HIS 30 Ca 0.38 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.56 2pph h HIS 30 Cb -0.07 -0.40 -0.00 0.00 1.55 0.00 0.00 27.41 28.49 2pph h HIS 30 CO -0.00 0.73 0.00 -0.22 -1.30 0.00 0.00 177.93 177.14 2pph h LYS 31 N 1.26 0.20 -0.65 5.26 3.64 -1.05 -2.38 116.57 122.84 2pph h LYS 31 Ca 0.35 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2pph h LYS 31 Cb -0.12 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2pph h LYS 31 CO -0.08 0.44 0.42 0.28 -2.27 0.00 0.00 179.45 178.24 2pph h VAL 32 N -0.07 1.15 -0.87 2.00 2.07 -1.15 -0.40 116.25 118.97 2pph h VAL 32 Ca 0.03 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2pph h VAL 32 Cb 0.35 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2pph h VAL 32 CO 0.01 0.16 0.53 0.74 0.02 0.00 0.00 177.57 179.03 2pph h THR 33 N 0.86 1.24 -0.15 2.57 2.02 -1.17 -1.61 112.91 116.67 2pph h THR 33 Ca 0.24 -0.50 -0.11 0.00 0.77 0.00 0.00 66.41 66.82 2pph h THR 33 Cb -0.07 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 2pph h THR 33 CO -0.06 0.24 -0.33 0.74 0.37 0.00 0.00 175.52 176.48 2pph h THR 34 N 1.19 1.36 -0.01 3.16 2.02 -0.88 0.68 112.91 120.44 2pph h THR 34 Ca 0.31 -1.60 0.00 0.00 0.77 0.00 0.00 66.41 65.89 2pph h THR 34 Cb -0.07 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2pph h THR 34 CO -0.06 0.48 -0.01 0.58 0.37 0.00 0.00 175.52 176.88 2pph h VAL 35 N 0.10 0.96 0.00 3.16 2.07 -0.87 -3.06 116.25 118.61 2pph h VAL 35 Ca -0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 2pph h VAL 35 Cb 0.94 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 2pph h VAL 35 CO 0.07 0.00 -0.95 -0.26 0.02 0.00 0.00 177.57 176.45 2pph h PHE 36 N -0.02 0.00 0.00 1.57 0.04 -1.38 -3.48 116.94 113.66 2pph h PHE 36 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2pph h PHE 36 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2pph h PHE 36 CO -0.10 0.66 0.00 0.41 -0.60 0.00 0.00 178.31 178.68 2pph n GLY 37 N 1.32 0.49 3.09 -1.45 0.00 0.23 -5.05 105.19 103.82 2pph n GLY 37 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.96 0.57 -0.32 1.61 1.11 -0.71 -4.88 119.66 116.08 2pph s GLN 38 Ca 0.00 -0.97 -0.29 0.00 0.01 0.00 0.00 55.36 54.11 2pph s GLN 38 Cb 0.00 0.21 -0.01 0.00 -1.01 0.00 0.00 33.01 32.20 2pph s GLN 38 CO 0.00 -0.12 1.59 -1.25 0.01 0.00 0.00 175.29 175.52 2pph s PRO 39 N -3.16 3.58 0.21 2.91 0.04 -1.26 -4.13 135.00 133.19 2pph s PRO 39 Ca -0.00 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.41 2pph s PRO 39 Cb 0.02 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 2pph s PRO 39 CO -0.07 -1.56 0.28 -0.51 0.04 0.00 0.00 177.00 175.18 2pph s LEU 40 N 5.80 4.18 -0.13 -3.56 1.02 -1.26 -4.34 118.68 120.38 2pph s LEU 40 Ca 0.70 0.02 -0.08 0.00 0.02 0.00 0.00 54.13 54.80 2pph s LEU 40 Cb -0.20 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 2pph s LEU 40 CO 0.31 -0.01 0.14 -0.62 0.02 0.00 0.00 176.35 176.19 2pph s ASP 41 N -3.63 6.36 -0.39 2.29 -1.08 0.08 -4.91 116.67 115.39 2pph s ASP 41 Ca 0.34 0.43 -0.20 0.00 -0.52 0.00 0.00 52.55 52.60 2pph s ASP 41 Cb -0.10 -2.08 0.01 0.00 -1.46 0.00 0.00 42.92 39.30 2pph s ASP 41 CO 0.27 0.36 0.62 -0.76 0.52 0.00 0.00 175.17 176.19 2pph s LEU 42 N -0.76 4.38 -0.36 -1.34 1.02 -1.26 -2.59 118.68 117.77 2pph s LEU 42 Ca 0.14 -0.10 -0.12 0.00 0.02 0.00 0.00 54.13 54.07 2pph s LEU 42 Cb -0.12 -2.72 0.01 0.00 0.02 0.00 0.00 46.19 43.38 2pph s LEU 42 CO 0.03 -0.66 0.22 -1.00 0.02 0.00 0.00 176.35 174.96 2pph s HIS 43 N 2.70 3.23 -0.29 0.29 3.76 0.30 -1.01 115.29 124.26 2pph s HIS 43 Ca 0.23 -0.73 -0.09 0.00 -0.15 0.00 0.00 55.06 54.32 2pph s HIS 43 Cb -0.14 -2.46 -0.02 0.00 1.11 0.00 0.00 32.58 31.07 2pph s HIS 43 CO 0.16 -0.57 0.13 -0.47 -0.85 0.00 0.00 174.74 173.15 2pph s TYR 44 N 1.61 3.16 -0.11 1.40 6.14 0.35 -0.60 117.35 129.29 2pph s TYR 44 Ca 0.04 -0.44 0.02 0.00 0.64 0.00 0.00 57.07 57.32 2pph s TYR 44 Cb -0.19 -2.32 0.01 0.00 0.42 0.00 0.00 41.96 39.88 2pph s TYR 44 CO 0.08 -0.39 -0.18 -1.64 0.64 0.00 0.00 175.55 174.06 2pph s MET 45 N 1.63 2.49 -0.05 4.97 -1.94 -1.25 0.48 119.30 125.63 2pph s MET 45 Ca 0.05 -0.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.25 2pph s MET 45 Cb -0.16 -2.04 -0.07 0.00 2.01 0.00 0.00 34.83 34.57 2pph s MET 45 CO 0.06 -0.00 0.49 -0.97 -0.01 0.00 0.00 175.02 174.59 2pph h ASN 46 N 7.23 -0.33 0.00 3.03 -0.73 -1.85 -3.46 115.58 119.46 2pph h ASN 46 Ca -0.29 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.86 2pph h ASN 46 Cb 1.19 0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.87 2pph h ASN 46 CO 0.50 0.13 0.00 -3.20 -0.37 0.00 0.00 177.43 174.49 2pph n ASN 47 N -5.04 -1.04 -0.08 1.15 2.85 -1.26 -4.98 115.26 106.86 2pph n ASN 47 Ca -0.05 0.34 -0.09 0.00 -0.11 0.00 0.00 54.58 54.67 2pph n ASN 47 Cb 0.17 1.21 -0.12 0.00 1.24 0.00 0.00 39.78 42.28 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2pph n GLU 48 N -2.72 1.24 -4.34 1.20 1.02 -1.26 -4.99 120.64 110.79 2pph n GLU 48 Ca 0.00 0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.83 2pph n GLU 48 Cb 0.00 -1.41 -0.09 0.00 -0.02 0.00 0.00 31.44 29.92 2pph n GLU 48 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pph s LEU 49 N -5.35 3.41 -0.18 -4.62 1.02 -1.26 -5.11 118.68 106.58 2pph s LEU 49 Ca -0.11 -0.04 -0.02 0.00 0.02 0.00 0.00 54.13 53.97 2pph s LEU 49 Cb 0.05 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.31 2pph s LEU 49 CO 0.62 0.29 -0.09 -0.44 0.02 0.00 0.00 176.35 176.74 2pph s SER 50 N -1.47 4.07 -0.10 2.29 0.01 -1.26 -2.47 113.70 114.77 2pph s SER 50 Ca 0.18 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2pph s SER 50 Cb -0.11 -1.67 -0.02 0.00 0.21 0.00 0.00 66.02 64.43 2pph s SER 50 CO 0.09 0.05 -0.14 -0.63 0.41 0.00 0.00 173.24 173.01 2pph s ILE 51 N 1.06 2.98 -0.20 1.44 1.01 0.18 -4.99 121.20 122.67 2pph s ILE 51 Ca 0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2pph s ILE 51 Cb -0.15 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2pph s ILE 51 CO -0.02 0.55 0.43 -0.22 0.00 0.00 0.00 174.94 175.68 2pph s LEU 52 N -0.01 4.15 -0.85 2.97 0.20 -1.26 -0.50 118.68 123.38 2pph s LEU 52 Ca -0.04 0.55 -0.25 0.00 0.69 0.00 0.00 54.13 55.08 2pph s LEU 52 Cb -0.14 -2.57 0.01 0.00 -0.43 0.00 0.00 46.19 43.06 2pph s LEU 52 CO 0.04 -0.11 1.59 -0.76 -0.29 0.00 0.00 176.35 176.82 2pph s LEU 53 N 1.44 3.30 -0.00 -0.68 1.43 -0.18 -4.79 118.68 119.19 2pph s LEU 53 Ca 0.20 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2pph s LEU 53 Cb -0.15 -2.56 -0.26 0.00 0.03 0.00 0.00 46.19 43.25 2pph s LEU 53 CO 0.09 -2.03 0.83 0.07 0.23 0.00 0.00 176.35 175.53 2pph h LYS 54 N 11.12 0.17 0.00 1.70 2.10 -1.95 -3.40 116.57 126.31 2pph h LYS 54 Ca -0.03 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2pph h LYS 54 Cb 1.05 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2pph h LYS 54 CO 1.30 0.99 0.00 0.09 -2.00 0.00 0.00 179.45 179.83 2pph n ASN 55 N -3.36 0.00 0.25 7.07 5.03 -1.26 -5.03 115.26 117.96 2pph n ASN 55 Ca -0.16 -0.98 0.07 0.00 0.87 0.00 0.00 54.58 54.38 2pph n ASN 55 Cb 1.03 0.00 0.60 0.00 -1.02 0.00 0.00 39.78 40.40 2pph n ASN 55 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 2pph h GLN 56 N 0.00 0.00 -0.54 3.52 5.75 -1.95 -2.67 115.11 119.21 2pph h GLN 56 Ca 0.00 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2pph h GLN 56 Cb 0.00 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.47 2pph h GLN 56 CO 0.00 0.06 0.12 0.22 -2.65 0.00 0.00 178.83 176.58 2pph h ASP 57 N 0.00 0.02 -0.50 -0.69 3.58 -1.99 0.62 116.42 117.46 2pph h ASP 57 Ca -0.00 0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.43 2pph h ASP 57 Cb 0.11 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2pph h ASP 57 CO 0.01 0.03 -0.15 -0.78 -2.88 0.00 0.00 179.24 175.47 2pph h ASP 58 N 0.26 1.00 -0.35 2.28 3.58 -1.85 -2.93 116.42 118.41 2pph h ASP 58 Ca 0.28 -0.37 -0.10 0.00 0.42 0.00 0.00 57.03 57.26 2pph h ASP 58 Cb 0.38 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2pph h ASP 58 CO -0.35 1.14 -0.13 0.25 -2.88 0.00 0.00 179.24 177.26 2pph h LEU 59 N 0.84 0.79 -0.67 2.28 5.85 -1.18 -2.61 115.31 120.61 2pph h LEU 59 Ca 0.12 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2pph h LEU 59 Cb 0.72 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2pph h LEU 59 CO 0.05 0.94 0.39 -0.78 -0.34 0.00 0.00 178.44 178.70 2pph h ASP 60 N 0.71 0.82 -0.17 1.25 3.58 0.31 -2.04 116.42 120.88 2pph h ASP 60 Ca 0.12 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2pph h ASP 60 Cb 0.63 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2pph h ASP 60 CO 0.04 0.66 -0.19 0.11 -2.88 0.00 0.00 179.24 176.98 2pph h LYS 61 N 0.92 0.60 -0.60 0.28 1.57 -1.41 -2.79 116.57 115.13 2pph h LYS 61 Ca 0.24 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2pph h LYS 61 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2pph h LYS 61 CO -0.04 0.76 0.22 0.00 -0.57 0.00 0.00 179.45 179.81 2pph h ALA 62 N 1.26 1.25 -0.71 3.86 0.00 -1.04 -2.68 119.26 121.19 2pph h ALA 62 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2pph h ALA 62 Cb 0.63 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2pph h ALA 62 CO 0.04 0.54 0.24 0.82 0.00 0.00 0.00 179.25 180.90 2pph h ILE 63 N 0.87 1.26 -0.64 0.00 2.04 -1.12 -2.20 117.51 117.72 2pph h ILE 63 Ca 0.20 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.30 2pph h ILE 63 Cb 0.21 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 2pph h ILE 63 CO -0.01 0.34 0.24 0.44 0.00 0.00 0.00 178.15 179.16 2pph h ASP 64 N 1.03 0.24 -0.11 1.72 5.19 -1.35 0.42 116.42 123.56 2pph h ASP 64 Ca 0.23 0.09 -0.13 0.00 -0.62 0.00 0.00 57.03 56.60 2pph h ASP 64 Cb 0.28 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2pph h ASP 64 CO -0.01 0.13 -0.36 0.40 -3.12 0.00 0.00 179.24 176.28 2pph h ILE 65 N 0.42 1.29 -0.36 0.35 2.04 -1.45 -2.51 117.51 117.30 2pph h ILE 65 Ca 0.33 -1.50 -0.12 0.00 1.00 0.00 0.00 64.86 64.57 2pph h ILE 65 Cb 0.43 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2pph h ILE 65 CO -0.33 0.48 -0.23 0.25 0.00 0.00 0.00 178.15 178.32 2pph h LEU 66 N 0.52 0.82 -0.65 1.44 5.85 -0.56 -1.65 115.31 121.08 2pph h LEU 66 Ca 0.05 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2pph h LEU 66 Cb 0.86 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2pph h LEU 66 CO 0.07 1.08 0.31 -0.78 -0.34 0.00 0.00 178.44 178.78 2pph h ASP 67 N 0.57 0.85 0.54 1.25 1.82 -0.17 -2.72 116.42 118.57 2pph h ASP 67 Ca 0.07 -0.13 -0.13 0.00 -0.39 0.00 0.00 57.03 56.45 2pph h ASP 67 Cb 0.80 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 2pph h ASP 67 CO 0.06 0.75 -0.58 0.08 -1.61 0.00 0.00 179.24 177.94 2pph h ARG 68 N 0.90 0.04 -5.68 0.28 0.11 -1.42 -3.41 114.38 105.20 2pph h ARG 68 Ca 0.22 -0.03 -0.63 0.00 0.10 0.00 0.00 59.98 59.64 2pph h ARG 68 Cb 0.12 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.07 2pph h ARG 68 CO -0.03 0.61 0.34 -1.54 0.10 0.00 0.00 179.97 179.45 2pph s SER 69 N -6.87 6.37 0.14 0.08 1.04 -0.63 -4.91 113.70 108.93 2pph s SER 69 Ca -0.02 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 2pph s SER 69 Cb 0.13 -2.38 -0.07 0.00 0.10 0.00 0.00 66.02 63.80 2pph s SER 69 CO 0.76 -0.95 1.33 0.28 0.98 0.00 0.00 173.24 175.64 2pph h SER 70 N 9.02 0.42 -0.29 7.02 0.02 -1.80 -3.24 113.55 124.70 2pph h SER 70 Ca -0.25 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.31 2pph h SER 70 Cb 1.09 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2pph h SER 70 CO 0.97 1.15 0.03 0.77 -1.14 0.00 0.00 176.83 178.61 2pph h SER 71 N 0.18 0.55 -3.86 3.07 4.64 -1.93 -3.43 113.55 112.77 2pph h SER 71 Ca -0.07 -0.10 -0.50 0.00 -0.47 0.00 0.00 61.79 60.66 2pph h SER 71 Cb 1.56 -0.14 0.03 0.00 -0.31 0.00 0.00 62.40 63.54 2pph h SER 71 CO 0.15 0.60 0.22 -0.32 -0.87 0.00 0.00 176.83 176.61 2pph s MET 72 N -5.04 3.63 0.17 4.77 0.00 -1.22 -4.99 119.30 116.62 2pph s MET 72 Ca -0.08 0.46 0.00 0.00 0.00 0.00 0.00 55.69 56.06 2pph s MET 72 Cb 0.16 -2.28 0.00 0.00 0.00 0.00 0.00 34.83 32.71 2pph s MET 72 CO 0.77 -0.28 0.00 1.17 0.00 0.00 0.00 175.02 176.68 2pph n LYS 73 N -2.18 0.00 -2.64 4.11 4.81 -1.26 -4.94 118.16 116.06 2pph n LYS 73 Ca 0.03 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.25 2pph n LYS 73 Cb 0.54 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.66 2pph n LYS 73 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2pph s SER 74 N -4.16 4.86 -0.08 3.14 1.04 -1.26 -4.73 113.70 112.51 2pph s SER 74 Ca 0.00 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.25 2pph s SER 74 Cb 0.00 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.70 2pph s SER 74 CO 0.00 -1.47 -0.20 -0.76 0.98 0.00 0.00 173.24 171.79 2pph s LEU 75 N -4.92 1.95 -0.47 2.42 2.01 -1.24 -4.95 118.68 113.47 2pph s LEU 75 Ca 0.61 -0.47 -0.24 0.00 0.01 0.00 0.00 54.13 54.05 2pph s LEU 75 Cb -0.08 -1.21 0.03 0.00 0.01 0.00 0.00 46.19 44.94 2pph s LEU 75 CO 0.41 0.13 0.88 -0.13 1.01 0.00 0.00 176.35 178.65 2pph s ARG 76 N 0.35 3.45 -0.06 1.70 0.52 -1.26 -1.26 118.95 122.38 2pph s ARG 76 Ca -0.15 -0.02 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 2pph s ARG 76 Cb -0.16 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.35 2pph s ARG 76 CO 0.06 -1.24 -0.18 0.42 0.02 0.00 0.00 175.30 174.39 2pph s ILE 77 N 3.62 1.54 -0.18 1.52 -1.09 -0.93 -3.93 121.20 121.76 2pph s ILE 77 Ca 0.33 -0.75 -0.08 0.00 -2.23 0.00 0.00 60.65 57.92 2pph s ILE 77 Cb -0.11 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 2pph s ILE 77 CO 0.24 0.44 0.09 -0.22 -1.23 0.00 0.00 174.94 174.27 2pph s LEU 78 N 0.29 4.03 -0.27 2.97 2.96 0.23 -2.37 118.68 126.51 2pph s LEU 78 Ca -0.11 0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 53.89 2pph s LEU 78 Cb -0.15 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2pph s LEU 78 CO 0.04 0.21 0.15 -0.76 -1.32 0.00 0.00 176.35 174.68 2pph s LEU 79 N 0.15 3.85 0.00 -0.68 1.43 -0.55 -0.54 118.68 122.34 2pph s LEU 79 Ca 0.07 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2pph s LEU 79 Cb -0.12 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2pph s LEU 79 CO -0.00 -0.06 0.03 -0.76 0.23 0.00 0.00 176.35 175.79 2pph s LEU 80 N 1.71 1.95 -0.00 1.79 1.02 -1.07 -4.71 118.68 119.36 2pph s LEU 80 Ca 0.07 -0.18 -0.30 0.00 0.02 0.00 0.00 54.13 53.73 2pph s LEU 80 Cb -0.16 0.21 -0.07 0.00 0.02 0.00 0.00 46.19 46.19 2pph s LEU 80 CO 0.08 -0.18 1.80 -0.55 0.02 0.00 0.00 176.35 177.53 2pph s SER 81 N -0.77 6.56 -0.36 2.29 0.15 -1.26 -0.74 113.70 119.57 2pph s SER 81 Ca -0.08 2.46 0.13 0.00 0.70 0.00 0.00 55.95 59.16 2pph s SER 81 Cb -0.05 -2.53 0.42 0.00 -1.71 0.00 0.00 66.02 62.14 2pph s SER 81 CO -0.00 -0.99 1.25 0.00 1.20 0.00 0.00 173.24 174.70 2pph n GLN 82 N 7.21 1.24 -3.37 5.44 6.02 -1.26 -4.91 117.38 127.75 2pph n GLN 82 Ca 0.18 -2.27 -0.16 0.00 -0.01 0.00 0.00 57.00 54.75 2pph n GLN 82 Cb 0.42 -0.43 -0.08 0.00 1.02 0.00 0.00 30.24 31.17 2pph n GLN 82 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2pph s ASP 83 N -1.91 1.24 -0.33 1.08 1.01 -1.26 -4.88 116.67 111.62 2pph s ASP 83 Ca 0.22 -1.03 0.08 0.00 0.71 0.00 0.00 52.55 52.54 2pph s ASP 83 Cb 0.42 0.64 0.45 0.00 1.01 0.00 0.00 42.92 45.44 2pph s ASP 83 CO -0.05 -0.33 1.15 -1.14 0.21 0.00 0.00 175.17 175.01 2pph n ARG 84 N 4.88 3.30 -0.94 8.23 0.00 -1.26 -4.98 116.66 125.90 2pph n ARG 84 Ca 0.04 -4.17 0.12 0.00 -0.00 0.00 0.00 57.85 53.83 2pph n ARG 84 Cb 0.46 -2.17 -0.05 0.00 0.00 0.00 0.00 32.46 30.71 2pph n ARG 84 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2pph n ASN 85 N -0.61 -5.64 -0.04 6.15 2.85 -1.26 -4.73 115.26 111.99 2pph n ASN 85 Ca 0.38 0.68 -0.11 0.00 -0.11 0.00 0.00 54.58 55.42 2pph n ASN 85 Cb 0.86 -3.05 -0.10 0.00 1.24 0.00 0.00 39.78 38.73 2pph n ASN 85 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2pph h LEU 86 N -0.90 -0.03 -2.83 1.20 4.07 -2.04 -3.49 115.31 111.29 2pph h LEU 86 Ca -0.06 -0.67 -0.22 0.00 0.08 0.00 0.00 57.88 57.02 2pph h LEU 86 Cb 0.88 0.01 0.04 0.00 1.08 0.00 0.00 40.66 42.67 2pph h LEU 86 CO 0.03 0.75 -0.51 1.21 -1.08 0.00 0.00 178.44 178.84 2pph n GLU 87 N -4.72 -1.46 -0.05 1.13 4.07 -1.26 -4.99 120.64 113.35 2pph n GLU 87 Ca -0.08 1.07 -0.04 0.00 -0.06 0.00 0.00 57.16 58.06 2pph n GLU 87 Cb 0.34 -4.73 -0.01 0.00 -0.06 0.00 0.00 31.44 26.98 2pph n GLU 87 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2pph n HIS 88 N -2.58 0.70 -1.01 4.31 8.25 -1.26 -5.11 115.22 118.51 2pph n HIS 88 Ca -0.09 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2pph n HIS 88 Cb 0.57 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 31.04 2pph n HIS 88 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2pph n HIS 89 N -4.07 -2.79 -3.59 4.41 8.25 -1.26 -4.87 115.22 111.29 2pph n HIS 89 Ca -0.06 1.50 -0.40 0.00 -0.26 0.00 0.00 57.72 58.50 2pph n HIS 89 Cb 0.21 -2.56 -0.09 0.00 1.12 0.00 0.00 29.99 28.67 2pph n HIS 89 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2pph s HIS 90 N -3.82 3.47 -0.31 4.41 2.46 -1.26 -4.99 115.29 115.25 2pph s HIS 90 Ca 0.00 -2.05 0.03 0.00 0.47 0.00 0.00 55.06 53.51 2pph s HIS 90 Cb 0.00 -3.44 0.16 0.00 -0.13 0.00 0.00 32.58 29.17 2pph s HIS 90 CO 0.00 -0.98 0.42 -1.58 -2.47 0.00 0.00 174.74 170.13 2pph s HIS 91 N 1.14 -0.94 -0.24 3.88 5.04 -1.26 -5.01 115.29 117.89 2pph s HIS 91 Ca 0.08 0.13 -0.04 0.00 -1.54 0.00 0.00 55.06 53.69 2pph s HIS 91 Cb -0.24 -0.17 -0.17 0.00 0.04 0.00 0.00 32.58 32.03 2pph s HIS 91 CO -0.02 -1.00 -0.16 0.72 -2.34 0.00 0.00 174.74 171.94 2pph n HIS 92 N 5.12 0.22 1.55 3.88 8.25 -1.26 -5.29 115.22 127.69 2pph n HIS 92 Ca 0.03 0.06 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 2pph n HIS 92 Cb 0.49 -1.03 0.73 0.00 1.12 0.00 0.00 29.99 31.31 2pph n HIS 92 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70