#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 -1.15 -0.30 1.08 0.01 -1.26 -4.87 113.70 107.21 2pph s SER 2 Ca 0.00 -1.22 -0.13 0.00 1.31 0.00 0.00 55.95 55.91 2pph s SER 2 Cb 0.00 1.49 0.17 0.00 0.21 0.00 0.00 66.02 67.90 2pph s SER 2 CO 0.00 -0.06 0.99 1.51 0.41 0.00 0.00 173.24 176.10 2pph s ASP 3 N 1.08 -0.58 -0.02 2.44 -4.77 -1.26 -3.08 116.67 110.49 2pph s ASP 3 Ca 0.26 0.55 0.05 0.00 -3.30 0.00 0.00 52.55 50.11 2pph s ASP 3 Cb 0.02 1.56 -0.01 0.00 -1.09 0.00 0.00 42.92 43.40 2pph s ASP 3 CO -0.07 -0.11 -0.18 -0.69 0.70 0.00 0.00 175.17 174.82 2pph s VAL 4 N 2.68 1.41 -0.37 2.11 1.01 -0.64 -4.95 120.40 121.63 2pph s VAL 4 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2pph s VAL 4 Cb -0.08 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.13 2pph s VAL 4 CO -0.15 0.40 0.70 -0.13 0.00 0.00 0.00 175.10 175.92 2pph s ARG 5 N -0.32 3.64 -0.29 2.72 0.52 -1.26 -1.37 118.95 122.59 2pph s ARG 5 Ca 0.05 0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.25 2pph s ARG 5 Cb -0.08 -3.83 -0.02 0.00 0.52 0.00 0.00 34.95 31.54 2pph s ARG 5 CO -0.00 -0.83 0.12 0.42 0.02 0.00 0.00 175.30 175.03 2pph s ILE 6 N 2.90 4.51 -0.21 1.52 1.01 0.86 -2.56 121.20 129.22 2pph s ILE 6 Ca 0.27 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 2pph s ILE 6 Cb -0.14 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 2pph s ILE 6 CO 0.17 0.18 0.21 -0.75 0.00 0.00 0.00 174.94 174.75 2pph s LYS 7 N 1.62 4.15 0.06 2.79 2.20 0.21 -0.30 119.74 130.46 2pph s LYS 7 Ca 0.05 -0.12 0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2pph s LYS 7 Cb -0.16 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 2pph s LYS 7 CO 0.05 0.13 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.06 2pph s PHE 8 N 0.83 2.88 -0.05 4.03 0.40 0.89 -2.55 117.98 124.41 2pph s PHE 8 Ca 0.11 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.40 2pph s PHE 8 Cb -0.13 -1.53 0.01 0.00 0.51 0.00 0.00 43.02 41.87 2pph s PHE 8 CO 0.03 0.43 -0.12 -2.00 0.70 0.00 0.00 175.22 174.26 2pph s GLU 9 N -1.96 1.44 -0.20 0.44 2.12 -1.08 -0.82 118.70 118.65 2pph s GLU 9 Ca 0.21 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.10 2pph s GLU 9 Cb -0.11 -1.25 0.10 0.00 0.26 0.00 0.00 34.13 33.13 2pph s GLU 9 CO 0.13 0.09 0.30 -1.58 -0.54 0.00 0.00 175.26 173.66 2pph s HIS 10 N 0.41 -0.54 -1.46 5.30 2.46 0.24 -3.42 115.29 118.28 2pph s HIS 10 Ca -0.09 0.70 -0.08 0.00 0.47 0.00 0.00 55.06 56.06 2pph s HIS 10 Cb -0.13 -0.11 0.03 0.00 -0.13 0.00 0.00 32.58 32.25 2pph s HIS 10 CO 0.02 -0.58 0.73 0.09 -2.47 0.00 0.00 174.74 172.53 2pph n ASN 11 N 5.35 -5.41 0.00 9.88 3.02 -1.26 -0.90 115.26 125.93 2pph n ASN 11 Ca -0.05 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2pph n ASN 11 Cb 0.50 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pph n GLY 12 N -1.55 2.24 3.66 7.41 0.00 -1.26 -5.02 105.19 110.67 2pph n GLY 12 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.47 4.25 0.01 1.61 0.41 -0.08 -5.05 118.70 119.38 2pph s GLU 13 Ca 0.00 1.01 0.01 0.00 -0.41 0.00 0.00 54.97 55.57 2pph s GLU 13 Cb 0.00 -3.61 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 2pph s GLU 13 CO 0.00 -0.42 0.06 1.03 -0.49 0.00 0.00 175.26 175.44 2pph s ARG 14 N 2.48 2.97 -0.09 1.61 3.00 -1.26 -0.60 118.95 127.06 2pph s ARG 14 Ca 0.37 -0.55 -0.08 0.00 0.00 0.00 0.00 55.73 55.48 2pph s ARG 14 Cb -0.16 -2.79 0.03 0.00 0.00 0.00 0.00 34.95 32.02 2pph s ARG 14 CO 0.10 0.63 0.24 -0.98 0.00 0.00 0.00 175.30 175.29 2pph s ARG 15 N -1.80 0.27 -0.23 3.54 1.70 -0.00 -4.98 118.95 117.44 2pph s ARG 15 Ca 0.23 0.36 -0.07 0.00 -0.47 0.00 0.00 55.73 55.78 2pph s ARG 15 Cb -0.12 0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 34.33 2pph s ARG 15 CO 0.14 -0.05 0.07 0.42 -1.08 0.00 0.00 175.30 174.80 2pph s ILE 16 N 0.29 4.39 -0.09 4.99 1.09 -1.26 -0.08 121.20 130.54 2pph s ILE 16 Ca -0.01 -0.15 0.02 0.00 -1.10 0.00 0.00 60.65 59.41 2pph s ILE 16 Cb -0.03 -3.04 0.01 0.00 -1.06 0.00 0.00 42.46 38.35 2pph s ILE 16 CO -0.01 0.36 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.42 2pph s ILE 17 N 1.36 1.39 0.07 2.92 1.01 0.58 -4.96 121.20 123.57 2pph s ILE 17 Ca 0.05 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.93 2pph s ILE 17 Cb -0.15 -1.27 -0.06 0.00 0.01 0.00 0.00 42.46 40.99 2pph s ILE 17 CO 0.03 0.42 0.53 0.00 0.00 0.00 0.00 174.94 175.92 2pph s ALA 18 N 0.83 3.61 -0.06 9.38 0.00 -1.26 -0.10 121.76 134.15 2pph s ALA 18 Ca -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 2pph s ALA 18 Cb -0.15 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.43 2pph s ALA 18 CO 0.01 0.43 0.03 -0.06 0.00 0.00 0.00 175.76 176.17 2pph s PHE 19 N -1.16 0.42 0.15 0.00 0.08 -0.47 -4.96 117.98 112.04 2pph s PHE 19 Ca 0.29 -0.00 -0.30 0.00 0.12 0.00 0.00 56.93 57.04 2pph s PHE 19 Cb -0.18 -0.67 -0.07 0.00 -0.57 0.00 0.00 43.02 41.52 2pph s PHE 19 CO 0.18 -0.28 1.11 -1.12 -0.10 0.00 0.00 175.22 175.01 2pph s SER 20 N 2.05 7.25 0.49 1.36 0.01 -1.26 -1.63 113.70 121.97 2pph s SER 20 Ca 0.05 2.05 -0.20 0.00 1.31 0.00 0.00 55.95 59.16 2pph s SER 20 Cb -0.12 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.42 2pph s SER 20 CO -0.04 -0.26 1.03 -0.13 0.41 0.00 0.00 173.24 174.24 2pph s ARG 21 N -0.08 3.84 -0.17 12.44 0.52 -1.18 -3.45 118.95 130.87 2pph s ARG 21 Ca 0.51 1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 56.73 2pph s ARG 21 Cb -0.29 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.07 2pph s ARG 21 CO 0.34 -0.39 1.17 -1.25 0.02 0.00 0.00 175.30 175.18 2pph s PRO 22 N -3.30 4.26 0.02 3.54 0.04 -1.26 -4.80 135.00 133.49 2pph s PRO 22 Ca 0.66 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 2pph s PRO 22 Cb -0.15 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.65 2pph s PRO 22 CO 0.20 -0.64 1.24 0.54 0.04 0.00 0.00 177.00 178.38 2pph s VAL 23 N 3.21 4.02 -0.19 -0.36 0.11 -1.22 -5.02 120.40 120.95 2pph s VAL 23 Ca 0.51 1.41 -0.09 0.00 -2.93 0.00 0.00 61.98 60.88 2pph s VAL 23 Cb -0.20 -3.91 -0.05 0.00 -1.53 0.00 0.00 36.38 30.70 2pph s VAL 23 CO 0.13 0.06 0.11 -0.54 -3.33 0.00 0.00 175.10 171.52 2pph s LYS 24 N 1.66 4.09 0.38 1.54 3.01 -1.26 -4.99 119.74 124.17 2pph s LYS 24 Ca 0.59 -0.25 0.09 0.00 -1.01 0.00 0.00 55.97 55.39 2pph s LYS 24 Cb -0.29 -3.35 0.84 0.00 -1.01 0.00 0.00 37.83 34.02 2pph s LYS 24 CO 0.26 0.32 1.93 -0.92 0.51 0.00 0.00 175.35 177.45 2pph h TYR 25 N 6.58 0.71 -0.48 3.18 3.20 -1.98 -1.59 116.97 126.59 2pph h TYR 25 Ca -0.41 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 2pph h TYR 25 Cb 1.16 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2pph h TYR 25 CO 0.58 0.32 0.24 0.93 -1.64 0.00 0.00 178.16 178.59 2pph h GLU 26 N 0.65 0.69 -0.32 1.82 5.08 -1.98 0.41 114.58 120.94 2pph h GLU 26 Ca 0.36 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2pph h GLU 26 Cb 0.52 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2pph h GLU 26 CO -0.13 0.57 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.00 2pph h ASP 27 N 0.63 0.55 -0.19 1.42 3.32 -1.74 -0.01 116.42 120.41 2pph h ASP 27 Ca 0.17 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2pph h ASP 27 Cb 0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2pph h ASP 27 CO -0.02 0.73 -0.04 0.58 -1.72 0.00 0.00 179.24 178.77 2pph h VAL 28 N 0.36 1.28 -0.69 -1.35 2.07 -1.22 -2.75 116.25 113.95 2pph h VAL 28 Ca 0.09 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2pph h VAL 28 Cb 0.45 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2pph h VAL 28 CO 0.02 0.30 0.39 -0.08 0.02 0.00 0.00 177.57 178.21 2pph h GLU 29 N 0.09 0.96 -0.84 1.57 4.81 -0.16 -2.60 114.58 118.41 2pph h GLU 29 Ca 0.05 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2pph h GLU 29 Cb 0.47 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 2pph h GLU 29 CO 0.02 0.71 0.53 1.25 -0.73 0.00 0.00 179.01 180.78 2pph h HIS 30 N 0.94 0.99 -0.28 0.92 2.76 -0.95 0.14 115.15 119.67 2pph h HIS 30 Ca 0.24 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2pph h HIS 30 Cb 0.02 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 2pph h HIS 30 CO -0.01 0.55 0.16 -0.22 -1.30 0.00 0.00 177.93 177.12 2pph h LYS 31 N 1.01 0.39 -0.27 5.26 3.64 -1.17 0.03 116.57 125.46 2pph h LYS 31 Ca 0.34 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 2pph h LYS 31 Cb 0.06 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2pph h LYS 31 CO -0.13 0.32 -0.00 0.28 -2.27 0.00 0.00 179.45 177.64 2pph h VAL 32 N 0.35 1.26 -0.88 2.00 2.07 -1.08 -1.66 116.25 118.31 2pph h VAL 32 Ca 0.10 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.70 2pph h VAL 32 Cb 0.03 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2pph h VAL 32 CO -0.02 0.29 0.58 0.74 0.02 0.00 0.00 177.57 179.18 2pph h THR 33 N 0.27 1.23 -0.22 2.57 2.02 -0.59 -2.16 112.91 116.02 2pph h THR 33 Ca 0.08 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 66.72 2pph h THR 33 Cb 0.43 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2pph h THR 33 CO 0.01 0.22 -0.31 0.74 0.37 0.00 0.00 175.52 176.56 2pph h THR 34 N 1.19 1.33 -0.09 3.16 2.02 -0.87 0.72 112.91 120.37 2pph h THR 34 Ca 0.32 -1.51 0.02 0.00 0.77 0.00 0.00 66.41 66.01 2pph h THR 34 Cb -0.13 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2pph h THR 34 CO -0.07 0.47 -0.01 0.58 0.37 0.00 0.00 175.52 176.86 2pph h VAL 35 N 0.27 0.93 0.00 3.16 2.07 -1.04 -3.05 116.25 118.60 2pph h VAL 35 Ca 0.02 -0.01 -0.19 0.00 0.82 0.00 0.00 66.70 67.34 2pph h VAL 35 Cb 0.88 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2pph h VAL 35 CO 0.07 0.00 -1.09 -0.26 0.02 0.00 0.00 177.57 176.31 2pph h PHE 36 N 0.02 0.00 0.00 1.57 0.04 -1.46 -3.48 116.94 113.62 2pph h PHE 36 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2pph h PHE 36 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2pph h PHE 36 CO -0.13 0.81 0.00 0.41 -0.60 0.00 0.00 178.31 178.80 2pph n GLY 37 N 1.37 0.67 3.53 -1.45 0.00 0.24 -5.05 105.19 104.50 2pph n GLY 37 Ca -0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.12 0.69 -0.01 1.61 -2.07 -0.66 -5.00 119.66 111.08 2pph s GLN 38 Ca 0.00 -0.20 -0.30 0.00 -1.82 0.00 0.00 55.36 53.04 2pph s GLN 38 Cb 0.00 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 2pph s GLN 38 CO 0.00 -0.29 1.39 -2.14 -1.32 0.00 0.00 175.29 172.93 2pph s PRO 39 N -2.67 4.28 0.14 9.60 0.02 -1.26 -4.33 135.00 140.78 2pph s PRO 39 Ca 0.05 1.94 0.10 0.00 0.02 0.00 0.00 61.00 63.11 2pph s PRO 39 Cb -0.01 -3.60 -0.04 0.00 0.02 0.00 0.00 34.50 30.87 2pph s PRO 39 CO -0.07 -0.59 -0.19 -0.51 -0.33 0.00 0.00 177.00 175.32 2pph s LEU 40 N 2.51 2.64 -0.27 -5.54 1.02 -1.26 -1.24 118.68 116.54 2pph s LEU 40 Ca 0.63 -0.65 -0.11 0.00 0.02 0.00 0.00 54.13 54.03 2pph s LEU 40 Cb -0.31 -1.44 -0.05 0.00 0.02 0.00 0.00 46.19 44.41 2pph s LEU 40 CO 0.26 0.15 0.18 -0.62 0.02 0.00 0.00 176.35 176.34 2pph s ASP 41 N -2.35 6.00 -0.12 2.29 2.15 -0.58 -4.84 116.67 119.22 2pph s ASP 41 Ca 0.19 0.01 -0.26 0.00 0.43 0.00 0.00 52.55 52.91 2pph s ASP 41 Cb -0.10 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.39 2pph s ASP 41 CO 0.10 -0.03 0.86 -0.76 -0.17 0.00 0.00 175.17 175.17 2pph s LEU 42 N 1.62 4.24 -0.25 -1.34 1.02 -1.26 -2.96 118.68 119.74 2pph s LEU 42 Ca 0.07 1.30 -0.03 0.00 0.02 0.00 0.00 54.13 55.49 2pph s LEU 42 Cb -0.15 -3.30 0.02 0.00 0.02 0.00 0.00 46.19 42.77 2pph s LEU 42 CO 0.09 -0.34 -0.03 -1.00 0.02 0.00 0.00 176.35 175.09 2pph s HIS 43 N 1.74 3.07 -0.21 0.29 3.76 0.17 -0.57 115.29 123.54 2pph s HIS 43 Ca 0.41 -1.40 -0.04 0.00 -0.15 0.00 0.00 55.06 53.89 2pph s HIS 43 Cb -0.18 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.41 2pph s HIS 43 CO 0.16 -0.69 -0.05 -0.47 -0.85 0.00 0.00 174.74 172.85 2pph s TYR 44 N 1.37 2.95 -0.10 1.40 6.14 0.33 -1.06 117.35 128.39 2pph s TYR 44 Ca 0.01 -0.83 0.02 0.00 0.64 0.00 0.00 57.07 56.91 2pph s TYR 44 Cb -0.16 -2.07 -0.02 0.00 0.42 0.00 0.00 41.96 40.13 2pph s TYR 44 CO -0.03 -0.46 -0.16 0.00 0.64 0.00 0.00 175.55 175.53 2pph s MET 45 N 1.28 3.01 -0.06 4.97 0.23 -1.26 -0.31 119.30 127.15 2pph s MET 45 Ca 0.03 -0.74 -0.17 0.00 -1.03 0.00 0.00 55.69 53.78 2pph s MET 45 Cb -0.14 -2.47 -0.12 0.00 -1.53 0.00 0.00 34.83 30.56 2pph s MET 45 CO -0.02 0.34 0.68 -0.97 -2.03 0.00 0.00 175.02 173.03 2pph h ASN 46 N 6.27 -0.21 0.00 -1.18 -0.73 -1.85 -3.48 115.58 114.40 2pph h ASN 46 Ca -0.31 -0.26 0.00 0.00 1.87 0.00 0.00 56.30 57.60 2pph h ASN 46 Cb 1.20 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.84 2pph h ASN 46 CO 0.52 0.34 0.00 -3.20 -0.37 0.00 0.00 177.43 174.72 2pph n ASN 47 N -4.93 -1.69 -0.08 1.15 5.15 -1.26 -4.98 115.26 108.62 2pph n ASN 47 Ca -0.07 0.55 -0.08 0.00 -0.60 0.00 0.00 54.58 54.39 2pph n ASN 47 Cb 0.23 1.81 -0.12 0.00 -0.53 0.00 0.00 39.78 41.17 2pph n ASN 47 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2pph n GLU 48 N -3.01 1.43 -4.31 1.20 0.28 -1.26 -4.99 120.64 109.98 2pph n GLU 48 Ca 0.00 -0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 2pph n GLU 48 Cb 0.00 -1.40 -0.09 0.00 1.43 0.00 0.00 31.44 31.38 2pph n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2pph s LEU 49 N -5.18 3.40 -0.17 -1.84 1.43 -1.26 -5.11 118.68 109.96 2pph s LEU 49 Ca -0.08 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2pph s LEU 49 Cb 0.05 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 2pph s LEU 49 CO 0.63 0.27 -0.04 -0.55 0.23 0.00 0.00 176.35 176.89 2pph s SER 50 N -1.62 4.67 -0.07 2.29 0.15 -1.26 -2.25 113.70 115.60 2pph s SER 50 Ca 0.20 -0.19 0.05 0.00 0.70 0.00 0.00 55.95 56.70 2pph s SER 50 Cb -0.11 -1.77 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 2pph s SER 50 CO 0.11 0.13 -0.22 -0.63 1.20 0.00 0.00 173.24 173.83 2pph s ILE 51 N 0.59 2.32 -0.12 6.45 1.01 0.57 -4.98 121.20 127.04 2pph s ILE 51 Ca -0.03 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 2pph s ILE 51 Cb -0.14 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2pph s ILE 51 CO 0.03 0.57 0.53 -0.22 0.00 0.00 0.00 174.94 175.84 2pph s LEU 52 N -0.10 4.26 -0.81 2.97 0.20 -1.26 -0.52 118.68 123.43 2pph s LEU 52 Ca -0.05 0.87 -0.25 0.00 0.69 0.00 0.00 54.13 55.39 2pph s LEU 52 Cb -0.14 -2.78 0.04 0.00 -0.43 0.00 0.00 46.19 42.88 2pph s LEU 52 CO 0.04 -0.06 1.28 -0.76 -0.29 0.00 0.00 176.35 176.57 2pph s LEU 53 N 0.84 3.47 -0.14 -0.68 1.43 0.27 -4.74 118.68 119.13 2pph s LEU 53 Ca 0.28 -0.84 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2pph s LEU 53 Cb -0.16 -2.54 -0.11 0.00 0.03 0.00 0.00 46.19 43.42 2pph s LEU 53 CO 0.12 -1.68 -0.09 0.29 0.23 0.00 0.00 176.35 175.22 2pph n LYS 54 N 8.94 0.75 -4.58 1.70 4.76 -1.26 -4.35 118.16 124.11 2pph n LYS 54 Ca 0.11 0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 55.34 2pph n LYS 54 Cb 0.49 -1.29 -0.09 0.00 -1.84 0.00 0.00 35.03 32.30 2pph n LYS 54 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2pph s ASN 55 N -5.20 3.18 0.40 4.39 0.01 -1.26 -5.04 114.94 111.41 2pph s ASN 55 Ca -0.17 -1.58 0.09 0.00 -0.71 0.00 0.00 52.86 50.49 2pph s ASN 55 Cb 0.05 0.31 0.82 0.00 0.41 0.00 0.00 41.25 42.84 2pph s ASN 55 CO 0.37 -0.80 1.96 1.56 -1.51 0.00 0.00 177.10 178.67 2pph h GLN 56 N 1.73 0.32 -0.95 -0.60 4.20 -2.00 -2.56 115.11 115.25 2pph h GLN 56 Ca -0.40 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.35 2pph h GLN 56 Cb 1.28 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.93 2pph h GLN 56 CO 0.66 0.36 0.61 -0.44 -0.67 0.00 0.00 178.83 179.36 2pph h ASP 57 N 0.31 0.91 0.03 1.46 5.19 -1.97 0.46 116.42 122.82 2pph h ASP 57 Ca 0.07 0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2pph h ASP 57 Cb 0.24 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2pph h ASP 57 CO 0.01 0.55 -0.02 0.44 -3.12 0.00 0.00 179.24 177.10 2pph h ASP 58 N 1.02 -0.04 0.21 6.45 3.32 -1.81 -0.97 116.42 124.59 2pph h ASP 58 Ca 0.44 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 2pph h ASP 58 Cb 0.33 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2pph h ASP 58 CO -0.19 0.18 -0.59 0.17 -1.72 0.00 0.00 179.24 177.08 2pph h LEU 59 N -0.25 0.44 -0.55 1.55 8.10 -1.50 -2.63 115.31 120.45 2pph h LEU 59 Ca -0.00 -0.25 -0.03 0.00 0.11 0.00 0.00 57.88 57.71 2pph h LEU 59 Cb 0.23 -0.13 -0.02 0.00 -0.44 0.00 0.00 40.66 40.30 2pph h LEU 59 CO 0.01 0.93 0.23 -0.78 -4.11 0.00 0.00 178.44 174.72 2pph h ASP 60 N 0.29 0.75 0.14 0.17 1.82 -0.03 -2.39 116.42 117.18 2pph h ASP 60 Ca -0.00 -0.16 -0.11 0.00 -0.39 0.00 0.00 57.03 56.37 2pph h ASP 60 Cb 1.12 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2pph h ASP 60 CO 0.10 0.71 -0.38 0.50 -1.61 0.00 0.00 179.24 178.56 2pph h LYS 61 N 0.75 0.32 -0.66 0.28 3.11 -1.16 -2.94 116.57 116.28 2pph h LYS 61 Ca 0.19 -0.15 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 2pph h LYS 61 Cb 0.18 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.37 2pph h LYS 61 CO -0.02 0.66 0.28 0.00 -2.81 0.00 0.00 179.45 177.56 2pph h ALA 62 N 1.33 0.85 -0.57 5.00 0.00 -1.11 -2.80 119.26 121.97 2pph h ALA 62 Ca 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2pph h ALA 62 Cb 0.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2pph h ALA 62 CO 0.06 0.46 0.19 0.82 0.00 0.00 0.00 179.25 180.78 2pph h ILE 63 N 0.92 1.24 -0.87 0.00 2.04 -1.32 -2.42 117.51 117.09 2pph h ILE 63 Ca 0.22 -0.79 0.11 0.00 1.00 0.00 0.00 64.86 65.41 2pph h ILE 63 Cb 0.18 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 36.86 2pph h ILE 63 CO -0.02 0.30 0.50 -0.78 0.00 0.00 0.00 178.15 178.15 2pph h ASP 64 N 0.79 0.71 -0.52 1.72 1.82 -1.33 0.81 116.42 120.41 2pph h ASP 64 Ca 0.18 0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.79 2pph h ASP 64 Cb 0.27 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2pph h ASP 64 CO -0.01 0.37 -0.05 0.40 -1.61 0.00 0.00 179.24 178.35 2pph h ILE 65 N 0.80 1.27 -0.66 2.25 2.04 -1.24 -2.21 117.51 119.76 2pph h ILE 65 Ca 0.44 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.05 2pph h ILE 65 Cb 0.46 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2pph h ILE 65 CO -0.28 0.41 0.11 -0.07 0.00 0.00 0.00 178.15 178.32 2pph h LEU 66 N 0.83 1.05 -1.18 1.44 3.38 -0.76 -2.73 115.31 117.34 2pph h LEU 66 Ca 0.14 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2pph h LEU 66 Cb 0.59 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2pph h LEU 66 CO 0.04 1.04 -0.28 0.44 0.09 0.00 0.00 178.44 179.77 2pph h ASP 67 N 1.01 0.21 -0.05 -0.43 3.32 -0.78 -2.81 116.42 116.90 2pph h ASP 67 Ca 0.20 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2pph h ASP 67 Cb 0.44 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2pph h ASP 67 CO 0.01 0.50 -0.18 0.03 -1.72 0.00 0.00 179.24 177.88 2pph h ARG 68 N 0.19 0.41 -5.53 3.56 3.08 -1.09 -3.42 114.38 111.58 2pph h ARG 68 Ca 0.03 -0.13 -0.64 0.00 0.07 0.00 0.00 59.98 59.31 2pph h ARG 68 Cb 0.60 -0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.46 2pph h ARG 68 CO 0.04 0.58 -0.58 0.45 -1.07 0.00 0.00 179.97 179.40 2pph s SER 69 N -6.81 5.52 0.09 7.04 0.15 -1.06 -5.01 113.70 113.62 2pph s SER 69 Ca -0.06 0.13 -0.08 0.00 0.70 0.00 0.00 55.95 56.63 2pph s SER 69 Cb 0.14 -1.81 -0.21 0.00 -1.71 0.00 0.00 66.02 62.43 2pph s SER 69 CO 0.77 0.27 1.20 0.77 1.20 0.00 0.00 173.24 177.44 2pph h SER 70 N 6.01 0.66 -0.40 5.45 4.64 -1.83 -3.27 113.55 124.82 2pph h SER 70 Ca -0.43 -0.58 -0.04 0.00 -0.47 0.00 0.00 61.79 60.27 2pph h SER 70 Cb 1.19 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2pph h SER 70 CO 0.63 1.40 0.12 0.77 -0.87 0.00 0.00 176.83 178.88 2pph h SER 71 N 0.23 0.65 -3.30 4.97 4.64 -1.95 -3.41 113.55 115.39 2pph h SER 71 Ca -0.13 -0.10 -0.59 0.00 -0.47 0.00 0.00 61.79 60.50 2pph h SER 71 Cb 1.78 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 63.62 2pph h SER 71 CO 0.20 0.64 0.42 -0.04 -0.87 0.00 0.00 176.83 177.18 2pph s MET 72 N -5.19 4.22 0.06 4.77 1.00 -1.23 -4.85 119.30 118.08 2pph s MET 72 Ca -0.09 0.94 0.00 0.00 0.00 0.00 0.00 55.69 56.55 2pph s MET 72 Cb 0.16 -3.62 0.00 0.00 0.00 0.00 0.00 34.83 31.37 2pph s MET 72 CO 0.78 -0.43 0.00 1.63 0.00 0.00 0.00 175.02 177.00 2pph n LYS 73 N 5.67 0.00 -1.10 2.03 4.76 -1.26 -4.71 118.16 123.55 2pph n LYS 73 Ca 0.05 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.19 2pph n LYS 73 Cb 0.48 -0.20 0.24 0.00 -1.84 0.00 0.00 35.03 33.71 2pph n LYS 73 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2pph s SER 74 N -5.10 0.94 -0.11 4.39 0.01 -1.26 -4.63 113.70 107.93 2pph s SER 74 Ca 0.00 0.61 -0.01 0.00 1.31 0.00 0.00 55.95 57.86 2pph s SER 74 Cb 0.00 -0.84 0.03 0.00 0.21 0.00 0.00 66.02 65.42 2pph s SER 74 CO 0.00 -4.11 -0.04 -0.76 0.41 0.00 0.00 173.24 168.74 2pph s LEU 75 N -6.92 1.01 -0.47 2.44 1.02 -1.06 -4.96 118.68 109.74 2pph s LEU 75 Ca 0.71 -0.28 -0.17 0.00 0.02 0.00 0.00 54.13 54.40 2pph s LEU 75 Cb -0.09 -0.69 0.05 0.00 0.02 0.00 0.00 46.19 45.47 2pph s LEU 75 CO 0.56 -0.16 0.50 -0.60 0.02 0.00 0.00 176.35 176.66 2pph s ARG 76 N 1.80 3.07 -0.05 1.70 6.06 -1.26 -0.62 118.95 129.65 2pph s ARG 76 Ca 0.04 -0.97 0.03 0.00 -2.50 0.00 0.00 55.73 52.33 2pph s ARG 76 Cb -0.13 -4.06 0.01 0.00 0.06 0.00 0.00 34.95 30.83 2pph s ARG 76 CO -0.07 -1.04 -0.13 0.42 -2.50 0.00 0.00 175.30 171.98 2pph s ILE 77 N 2.19 1.14 -0.18 4.11 1.01 -1.06 -4.27 121.20 124.15 2pph s ILE 77 Ca 0.11 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 2pph s ILE 77 Cb -0.20 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2pph s ILE 77 CO 0.11 0.35 0.09 -0.76 0.00 0.00 0.00 174.94 174.73 2pph s LEU 78 N 0.44 4.00 -0.06 2.97 1.02 -0.22 -2.62 118.68 124.21 2pph s LEU 78 Ca -0.10 0.16 0.05 0.00 0.02 0.00 0.00 54.13 54.26 2pph s LEU 78 Cb -0.14 -2.02 -0.02 0.00 0.02 0.00 0.00 46.19 44.04 2pph s LEU 78 CO 0.03 0.19 -0.21 -1.48 0.02 0.00 0.00 176.35 174.90 2pph s LEU 79 N 0.26 2.31 0.07 1.79 0.05 -1.22 0.42 118.68 122.36 2pph s LEU 79 Ca 0.06 -0.41 0.01 0.00 0.05 0.00 0.00 54.13 53.83 2pph s LEU 79 Cb -0.12 -1.44 -0.04 0.00 -2.05 0.00 0.00 46.19 42.54 2pph s LEU 79 CO -0.01 0.26 -0.05 -0.76 -0.55 0.00 0.00 176.35 175.25 2pph s LEU 80 N -0.26 2.46 -0.23 1.48 1.02 -1.16 -4.80 118.68 117.20 2pph s LEU 80 Ca 0.00 -0.93 -0.29 0.00 0.02 0.00 0.00 54.13 52.93 2pph s LEU 80 Cb -0.13 0.04 -0.06 0.00 0.02 0.00 0.00 46.19 46.06 2pph s LEU 80 CO 0.03 -0.48 2.22 -0.24 0.02 0.00 0.00 176.35 177.89 2pph n SER 81 N 0.26 3.17 -2.11 2.29 2.88 -1.26 -1.53 113.62 117.32 2pph n SER 81 Ca -0.15 0.24 -0.28 0.00 -1.33 0.00 0.00 58.87 57.35 2pph n SER 81 Cb 0.60 -1.53 0.06 0.00 -0.75 0.00 0.00 64.21 62.59 2pph n SER 81 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2pph n GLN 82 N 8.67 3.05 -1.17 -1.46 -0.06 -0.37 -4.61 117.38 121.43 2pph n GLN 82 Ca 0.31 -3.68 -0.18 0.00 -2.00 0.00 0.00 57.00 51.44 2pph n GLN 82 Cb 0.42 -2.25 0.15 0.00 -4.06 0.00 0.00 30.24 24.51 2pph n GLN 82 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2pph n ASP 83 N -0.84 4.08 -1.32 1.69 5.68 -1.25 -4.83 116.55 119.77 2pph n ASP 83 Ca 0.52 -3.73 -0.16 0.00 -0.50 0.00 0.00 54.79 50.92 2pph n ASP 83 Cb 0.85 -0.74 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 2pph n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2pph n ARG 84 N -1.06 -1.12 -0.74 0.11 0.63 -1.26 -4.65 116.66 108.57 2pph n ARG 84 Ca 0.49 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 58.42 2pph n ARG 84 Cb 1.17 -5.20 0.00 0.00 0.45 0.00 0.00 32.46 28.88 2pph n ARG 84 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2pph n ASN 85 N -0.63 -4.41 -2.51 6.15 2.85 -1.26 -4.97 115.26 110.48 2pph n ASN 85 Ca -0.16 0.63 0.00 0.00 -0.11 0.00 0.00 54.58 54.94 2pph n ASN 85 Cb 0.54 -1.71 0.04 0.00 1.24 0.00 0.00 39.78 39.89 2pph n ASN 85 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2pph n LEU 86 N -1.14 1.53 -3.24 1.20 7.94 -1.26 -5.04 117.00 116.99 2pph n LEU 86 Ca 0.00 -2.84 -0.17 0.00 -1.11 0.00 0.00 56.01 51.89 2pph n LEU 86 Cb 0.04 0.35 0.01 0.00 0.53 0.00 0.00 43.42 44.35 2pph n LEU 86 CO 0.00 0.94 -0.01 -0.62 -1.11 0.00 0.00 177.39 176.60 2pph n GLU 87 N -0.37 -1.84 -3.43 1.96 -0.58 -1.26 -5.00 120.64 110.12 2pph n GLU 87 Ca 0.08 1.54 -0.27 0.00 -0.42 0.00 0.00 57.16 58.08 2pph n GLU 87 Cb 0.88 -4.19 -0.10 0.00 -0.57 0.00 0.00 31.44 27.46 2pph n GLU 87 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2pph s HIS 88 N -2.52 1.26 0.00 -0.32 3.76 -1.26 -4.92 115.29 111.29 2pph s HIS 88 Ca 0.17 -2.38 0.00 0.00 -0.15 0.00 0.00 55.06 52.70 2pph s HIS 88 Cb -0.03 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.61 2pph s HIS 88 CO 0.81 -0.81 0.00 0.72 -0.85 0.00 0.00 174.74 174.62 2pph n HIS 89 N 2.83 0.00 -3.14 1.40 8.25 -1.26 -5.03 115.22 118.26 2pph n HIS 89 Ca 0.28 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.75 2pph n HIS 89 Cb 0.47 0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.64 2pph n HIS 89 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2pph s HIS 90 N -1.99 -1.58 -0.29 4.41 -3.43 -1.26 -5.14 115.29 106.01 2pph s HIS 90 Ca 0.00 0.21 -0.15 0.00 -0.80 0.00 0.00 55.06 54.32 2pph s HIS 90 Cb 0.00 0.29 0.13 0.00 -1.43 0.00 0.00 32.58 31.57 2pph s HIS 90 CO 0.00 -1.07 0.85 -3.38 -2.00 0.00 0.00 174.74 169.13 2pph s HIS 91 N 1.83 -0.85 0.93 0.38 -0.00 -1.26 -5.18 115.29 111.14 2pph s HIS 91 Ca 0.16 1.60 -0.12 0.00 -0.00 0.00 0.00 55.06 56.71 2pph s HIS 91 Cb -0.03 0.51 0.21 0.00 -0.00 0.00 0.00 32.58 33.26 2pph s HIS 91 CO -0.08 -0.42 1.26 0.72 -0.00 0.00 0.00 174.74 176.22 2pph n HIS 92 N 4.36 -3.68 1.97 0.38 8.25 -1.26 -5.11 115.22 120.14 2pph n HIS 92 Ca -0.16 -1.38 0.16 0.00 -0.26 0.00 0.00 57.72 56.07 2pph n HIS 92 Cb 0.56 -0.96 0.94 0.00 1.12 0.00 0.00 29.99 31.64 2pph n HIS 92 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70