#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 -6.11 -2.93 1.69 7.64 -1.26 -5.00 113.62 107.65 2pph n SER 2 Ca 0.00 0.75 -0.08 0.00 1.01 0.00 0.00 58.87 60.55 2pph n SER 2 Cb 0.00 -3.32 0.01 0.00 -1.01 0.00 0.00 64.21 59.89 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 -3.78 -7.49 -4.70 6.43 8.00 -1.21 -4.94 116.55 108.86 2pph n ASP 3 Ca -0.03 0.77 -0.40 0.00 0.71 0.00 0.00 54.79 55.84 2pph n ASP 3 Cb 0.48 -4.38 -0.05 0.00 -0.02 0.00 0.00 41.12 37.15 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 -1.88 5.04 -0.46 2.53 1.01 0.90 -4.83 120.40 122.72 2pph s VAL 4 Ca 0.14 1.36 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 2pph s VAL 4 Cb -0.03 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.40 2pph s VAL 4 CO 0.69 0.20 0.42 -0.60 0.00 0.00 0.00 175.10 175.81 2pph s ARG 5 N 1.18 3.02 -0.12 2.72 3.52 -1.26 -0.96 118.95 127.05 2pph s ARG 5 Ca 0.34 -1.12 -0.02 0.00 -0.13 0.00 0.00 55.73 54.80 2pph s ARG 5 Cb -0.17 -4.07 -0.03 0.00 -1.56 0.00 0.00 34.95 29.12 2pph s ARG 5 CO 0.15 -0.98 -0.04 0.42 -0.81 0.00 0.00 175.30 174.03 2pph s ILE 6 N 1.89 3.89 -0.38 4.11 1.09 -0.75 -3.20 121.20 127.85 2pph s ILE 6 Ca 0.07 -0.38 -0.05 0.00 -1.10 0.00 0.00 60.65 59.19 2pph s ILE 6 Cb -0.21 -2.67 0.08 0.00 -1.06 0.00 0.00 42.46 38.60 2pph s ILE 6 CO 0.09 0.54 0.16 -0.75 -0.10 0.00 0.00 174.94 174.88 2pph s LYS 7 N -0.10 2.38 0.16 2.79 2.20 -1.05 -1.80 119.74 124.32 2pph s LYS 7 Ca 0.02 -1.49 -0.08 0.00 -0.36 0.00 0.00 55.97 54.05 2pph s LYS 7 Cb -0.13 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 2pph s LYS 7 CO 0.03 -0.88 0.46 -0.06 -0.36 0.00 0.00 175.35 174.53 2pph s PHE 8 N 1.30 3.49 -0.05 4.03 0.08 0.08 -3.63 117.98 123.28 2pph s PHE 8 Ca 0.02 0.76 -0.00 0.00 0.12 0.00 0.00 56.93 57.83 2pph s PHE 8 Cb -0.22 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.10 2pph s PHE 8 CO -0.00 0.39 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.50 2pph s GLU 9 N -2.49 0.60 -0.05 0.44 2.12 -1.23 0.49 118.70 118.58 2pph s GLU 9 Ca 0.41 0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.76 2pph s GLU 9 Cb -0.12 -0.82 0.04 0.00 0.26 0.00 0.00 34.13 33.48 2pph s GLU 9 CO 0.21 -0.20 0.10 -1.58 -0.54 0.00 0.00 175.26 173.26 2pph s HIS 10 N 1.44 -0.09 -1.78 5.30 2.46 0.21 -3.51 115.29 119.32 2pph s HIS 10 Ca -0.03 0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.85 2pph s HIS 10 Cb -0.13 -0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.16 2pph s HIS 10 CO -0.03 -0.14 0.00 -1.71 -2.47 0.00 0.00 174.74 170.39 2pph n ASN 11 N 4.26 -5.83 0.00 9.88 2.85 -1.26 -1.39 115.26 123.78 2pph n ASN 11 Ca -0.26 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 2pph n ASN 11 Cb 0.51 -4.86 0.00 0.00 1.24 0.00 0.00 39.78 36.67 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 -0.99 2.47 3.74 8.20 0.00 -1.26 -5.02 105.19 112.33 2pph n GLY 12 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.34 4.28 0.03 1.61 2.02 -0.48 -5.08 118.70 120.73 2pph s GLU 13 Ca 0.00 0.48 -0.00 0.00 0.02 0.00 0.00 54.97 55.46 2pph s GLU 13 Cb 0.00 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2pph s GLU 13 CO 0.00 0.26 0.15 -0.98 0.02 0.00 0.00 175.26 174.71 2pph s ARG 14 N 0.28 3.26 0.00 1.61 1.70 -1.26 -0.62 118.95 123.92 2pph s ARG 14 Ca 0.26 -0.45 0.01 0.00 -0.47 0.00 0.00 55.73 55.08 2pph s ARG 14 Cb -0.16 -2.97 -0.01 0.00 -0.57 0.00 0.00 34.95 31.25 2pph s ARG 14 CO 0.12 0.63 -0.04 0.50 -1.08 0.00 0.00 175.30 175.43 2pph s ARG 15 N -2.13 0.33 -0.22 3.89 3.52 0.18 -4.98 118.95 119.54 2pph s ARG 15 Ca 0.29 -0.21 -0.04 0.00 -0.13 0.00 0.00 55.73 55.64 2pph s ARG 15 Cb -0.13 -0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 32.97 2pph s ARG 15 CO 0.21 0.07 -0.04 0.42 -0.81 0.00 0.00 175.30 175.15 2pph s ILE 16 N -0.26 3.41 -0.04 4.11 1.01 -1.26 -0.74 121.20 127.44 2pph s ILE 16 Ca -0.00 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.18 2pph s ILE 16 Cb -0.03 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.91 2pph s ILE 16 CO -0.00 0.43 -0.07 -0.63 0.00 0.00 0.00 174.94 174.67 2pph s ILE 17 N 1.40 0.66 -0.08 2.92 1.01 -0.75 -5.02 121.20 121.34 2pph s ILE 17 Ca 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 2pph s ILE 17 Cb -0.14 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2pph s ILE 17 CO -0.02 0.23 0.12 0.00 0.00 0.00 0.00 174.94 175.27 2pph s ALA 18 N 0.55 3.79 -0.05 9.38 0.00 -1.26 -1.81 121.76 132.36 2pph s ALA 18 Ca -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2pph s ALA 18 Cb -0.12 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 2pph s ALA 18 CO 0.01 0.65 -0.20 -0.06 0.00 0.00 0.00 175.76 176.15 2pph s PHE 19 N -1.08 1.99 0.01 0.00 0.40 -0.13 -4.92 117.98 114.25 2pph s PHE 19 Ca 0.18 -0.60 -0.22 0.00 -0.60 0.00 0.00 56.93 55.69 2pph s PHE 19 Cb -0.12 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 2pph s PHE 19 CO 0.07 -0.20 0.65 -1.12 0.70 0.00 0.00 175.22 175.33 2pph s SER 20 N -0.00 7.05 0.43 1.36 0.01 -1.26 -0.07 113.70 121.23 2pph s SER 20 Ca -0.05 1.26 -0.21 0.00 1.31 0.00 0.00 55.95 58.26 2pph s SER 20 Cb -0.13 -2.40 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 2pph s SER 20 CO 0.03 0.07 0.98 -0.13 0.41 0.00 0.00 173.24 174.60 2pph s ARG 21 N -0.15 4.16 -0.15 12.44 3.00 -1.26 -3.34 118.95 133.64 2pph s ARG 21 Ca 0.33 1.22 -0.29 0.00 0.00 0.00 0.00 55.73 56.99 2pph s ARG 21 Cb -0.19 -2.24 -0.01 0.00 0.00 0.00 0.00 34.95 32.51 2pph s ARG 21 CO 0.19 -0.10 1.15 -1.25 0.00 0.00 0.00 175.30 175.29 2pph s PRO 22 N -3.05 4.29 -0.25 3.54 0.04 -1.26 -4.97 135.00 133.36 2pph s PRO 22 Ca 0.62 1.55 -0.26 0.00 0.04 0.00 0.00 61.00 62.94 2pph s PRO 22 Cb -0.12 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2pph s PRO 22 CO 0.17 -0.57 0.91 0.54 0.04 0.00 0.00 177.00 178.09 2pph s VAL 23 N 2.91 4.76 -0.03 -0.36 0.11 -1.21 -5.04 120.40 121.54 2pph s VAL 23 Ca 0.51 1.72 -0.06 0.00 -2.93 0.00 0.00 61.98 61.22 2pph s VAL 23 Cb -0.20 -4.20 -0.04 0.00 -1.53 0.00 0.00 36.38 30.40 2pph s VAL 23 CO 0.14 -0.14 0.22 -0.54 -3.33 0.00 0.00 175.10 171.45 2pph s LYS 24 N 3.02 3.51 0.26 1.54 -0.14 -1.26 -5.00 119.74 121.67 2pph s LYS 24 Ca 0.38 -0.15 -0.02 0.00 -1.36 0.00 0.00 55.97 54.83 2pph s LYS 24 Cb -0.15 -3.12 0.48 0.00 -1.68 0.00 0.00 37.83 33.36 2pph s LYS 24 CO 0.08 0.69 1.82 -0.92 -0.76 0.00 0.00 175.35 176.25 2pph h TYR 25 N 4.20 0.97 -0.53 3.18 3.20 -1.96 -1.14 116.97 124.89 2pph h TYR 25 Ca -0.51 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.39 2pph h TYR 25 Cb 1.20 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2pph h TYR 25 CO 0.70 0.38 0.32 1.49 -1.64 0.00 0.00 178.16 179.40 2pph h GLU 26 N 0.86 0.72 -0.49 1.82 4.81 -1.94 0.93 114.58 121.28 2pph h GLU 26 Ca 0.45 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 2pph h GLU 26 Cb 0.45 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2pph h GLU 26 CO -0.27 0.52 0.22 0.22 -0.73 0.00 0.00 179.01 178.97 2pph h ASP 27 N 0.71 0.65 -0.09 1.04 3.58 -1.70 -0.75 116.42 119.87 2pph h ASP 27 Ca 0.19 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2pph h ASP 27 Cb -0.02 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2pph h ASP 27 CO -0.04 0.61 -0.02 0.58 -2.88 0.00 0.00 179.24 177.50 2pph h VAL 28 N 0.65 1.29 -0.93 2.25 2.07 -1.00 -2.78 116.25 117.79 2pph h VAL 28 Ca 0.17 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.82 2pph h VAL 28 Cb 0.14 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 2pph h VAL 28 CO -0.02 0.26 0.61 -0.08 0.02 0.00 0.00 177.57 178.36 2pph h GLU 29 N -0.16 1.09 -0.46 1.57 4.81 -0.76 -2.01 114.58 118.66 2pph h GLU 29 Ca 0.02 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2pph h GLU 29 Cb 0.41 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2pph h GLU 29 CO 0.01 0.72 0.27 1.25 -0.73 0.00 0.00 179.01 180.53 2pph h HIS 30 N 1.12 0.51 -0.20 0.92 2.76 -1.04 -0.51 115.15 118.71 2pph h HIS 30 Ca 0.39 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 2pph h HIS 30 Cb 0.10 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 2pph h HIS 30 CO -0.00 0.29 0.12 0.87 -1.30 0.00 0.00 177.93 177.91 2pph h LYS 31 N 0.54 0.27 -0.35 5.26 1.79 -1.11 -0.40 116.57 122.58 2pph h LYS 31 Ca 0.18 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.64 2pph h LYS 31 Cb 0.01 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2pph h LYS 31 CO -0.08 0.24 0.20 0.28 -1.08 0.00 0.00 179.45 179.01 2pph h VAL 32 N 0.23 1.03 -0.90 0.50 2.07 -1.12 0.18 116.25 118.24 2pph h VAL 32 Ca 0.07 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2pph h VAL 32 Cb 0.04 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2pph h VAL 32 CO -0.01 0.08 0.50 0.74 0.02 0.00 0.00 177.57 178.89 2pph h THR 33 N 0.41 1.26 -0.10 2.57 2.02 -0.91 -0.81 112.91 117.35 2pph h THR 33 Ca 0.14 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 2pph h THR 33 Cb 0.01 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 2pph h THR 33 CO -0.07 0.29 -0.23 0.74 0.37 0.00 0.00 175.52 176.62 2pph h THR 34 N 1.25 1.39 0.01 3.16 2.02 -0.63 0.51 112.91 120.62 2pph h THR 34 Ca 0.32 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 2pph h THR 34 Cb 0.02 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 2pph h THR 34 CO -0.05 0.44 -0.00 0.58 0.37 0.00 0.00 175.52 176.86 2pph h VAL 35 N -0.12 1.10 0.00 3.16 2.07 -0.56 -3.13 116.25 118.78 2pph h VAL 35 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2pph h VAL 35 Cb 0.82 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2pph h VAL 35 CO 0.05 0.08 -0.37 -0.26 0.02 0.00 0.00 177.57 177.09 2pph h PHE 36 N -0.15 0.00 0.00 1.57 0.04 -1.25 -3.48 116.94 113.67 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 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2pph h PHE 36 CO -0.03 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.09 2pph n GLY 37 N 1.15 3.38 3.06 -1.45 0.00 0.17 -5.02 105.19 106.48 2pph n GLY 37 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.76 0.58 -0.67 1.61 -0.21 -0.84 -4.84 119.66 114.53 2pph s GLN 38 Ca 0.00 -0.65 -0.26 0.00 0.02 0.00 0.00 55.36 54.46 2pph s GLN 38 Cb 0.00 -0.44 -0.01 0.00 1.00 0.00 0.00 33.01 33.56 2pph s GLN 38 CO 0.00 0.10 1.70 -1.25 -2.12 0.00 0.00 175.29 173.72 2pph s PRO 39 N -1.23 2.80 0.41 2.91 0.04 -1.26 -4.01 135.00 134.66 2pph s PRO 39 Ca -0.05 0.29 -0.07 0.00 0.04 0.00 0.00 61.00 61.20 2pph s PRO 39 Cb -0.08 -4.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.02 2pph s PRO 39 CO 0.01 -2.60 0.73 -0.51 0.04 0.00 0.00 177.00 174.67 2pph s LEU 40 N 8.14 3.80 0.04 -3.56 1.02 -1.26 -4.19 118.68 122.67 2pph s LEU 40 Ca 0.58 0.97 -0.17 0.00 0.02 0.00 0.00 54.13 55.53 2pph s LEU 40 Cb -0.11 -3.87 -0.06 0.00 0.02 0.00 0.00 46.19 42.17 2pph s LEU 40 CO 0.17 -0.43 0.50 -0.62 0.02 0.00 0.00 176.35 175.99 2pph s ASP 41 N -3.53 6.94 -0.49 2.29 2.15 0.47 -4.88 116.67 119.63 2pph s ASP 41 Ca 0.48 1.12 -0.21 0.00 0.43 0.00 0.00 52.55 54.38 2pph s ASP 41 Cb -0.10 -2.31 0.04 0.00 -0.30 0.00 0.00 42.92 40.25 2pph s ASP 41 CO 0.36 0.29 0.70 -0.76 -0.17 0.00 0.00 175.17 175.59 2pph s LEU 42 N -1.14 4.60 -0.32 -1.34 1.43 -1.26 -2.55 118.68 118.09 2pph s LEU 42 Ca 0.27 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2pph s LEU 42 Cb -0.18 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.40 2pph s LEU 42 CO 0.17 -0.91 0.13 -2.28 0.23 0.00 0.00 176.35 173.69 2pph s HIS 43 N 2.97 3.18 -0.13 0.29 2.46 -0.49 -1.95 115.29 121.62 2pph s HIS 43 Ca 0.21 -0.86 -0.18 0.00 0.47 0.00 0.00 55.06 54.70 2pph s HIS 43 Cb -0.16 -2.33 -0.04 0.00 -0.13 0.00 0.00 32.58 29.93 2pph s HIS 43 CO 0.16 -0.56 0.49 -0.47 -2.47 0.00 0.00 174.74 171.90 2pph s TYR 44 N 1.54 3.49 -0.16 3.88 6.14 0.15 -0.60 117.35 131.80 2pph s TYR 44 Ca 0.03 0.88 0.00 0.00 0.64 0.00 0.00 57.07 58.62 2pph s TYR 44 Cb -0.18 -2.58 0.03 0.00 0.42 0.00 0.00 41.96 39.66 2pph s TYR 44 CO 0.05 0.13 -0.12 0.00 0.64 0.00 0.00 175.55 176.25 2pph s MET 45 N 0.78 2.08 0.00 4.97 0.23 -1.25 0.30 119.30 126.40 2pph s MET 45 Ca 0.26 -0.60 0.00 0.00 -1.03 0.00 0.00 55.69 54.32 2pph s MET 45 Cb -0.15 -2.12 0.00 0.00 -1.53 0.00 0.00 34.83 31.02 2pph s MET 45 CO 0.10 -0.30 0.00 0.09 -2.03 0.00 0.00 175.02 172.88 2pph n ASN 46 N 4.78 0.00 0.00 -1.18 3.02 -1.17 -4.91 115.26 115.79 2pph n ASN 46 Ca -0.15 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2pph n ASN 46 Cb 0.49 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2pph n ASN 46 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pph n ASN 47 N -2.03 0.00 -0.08 6.41 3.02 -1.26 -4.95 115.26 116.36 2pph n ASN 47 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.64 2pph n ASN 47 Cb 0.00 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.30 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pph n GLU 48 N -2.18 1.32 -4.23 3.52 1.02 -1.26 -5.03 120.64 113.79 2pph n GLU 48 Ca 0.00 -2.45 -0.18 0.00 -0.02 0.00 0.00 57.16 54.51 2pph n GLU 48 Cb 0.00 -1.43 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 2pph n GLU 48 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2pph s LEU 49 N -2.65 2.21 -0.13 -4.62 2.34 -1.26 -5.14 118.68 109.42 2pph s LEU 49 Ca 0.29 -0.50 0.02 0.00 0.06 0.00 0.00 54.13 54.00 2pph s LEU 49 Cb 0.25 -0.47 0.00 0.00 -0.56 0.00 0.00 46.19 45.41 2pph s LEU 49 CO 0.03 -0.04 -0.21 -0.94 -1.06 0.00 0.00 176.35 174.12 2pph s SER 50 N -1.34 3.23 -0.12 1.48 1.04 -1.26 -3.07 113.70 113.66 2pph s SER 50 Ca -0.02 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2pph s SER 50 Cb -0.09 -1.46 -0.02 0.00 0.10 0.00 0.00 66.02 64.56 2pph s SER 50 CO 0.01 0.11 -0.12 -0.63 0.98 0.00 0.00 173.24 173.59 2pph s ILE 51 N 0.66 3.13 -0.23 -1.02 1.09 0.15 -4.97 121.20 120.01 2pph s ILE 51 Ca -0.10 -0.64 -0.06 0.00 -1.10 0.00 0.00 60.65 58.74 2pph s ILE 51 Cb -0.16 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.91 2pph s ILE 51 CO 0.02 0.53 0.04 -0.22 -0.10 0.00 0.00 174.94 175.21 2pph s LEU 52 N 0.18 3.35 -0.83 2.97 0.20 -1.26 0.34 118.68 123.62 2pph s LEU 52 Ca -0.07 -0.22 -0.25 0.00 0.69 0.00 0.00 54.13 54.28 2pph s LEU 52 Cb -0.15 -1.88 0.02 0.00 -0.43 0.00 0.00 46.19 43.75 2pph s LEU 52 CO 0.05 -0.00 1.50 -0.76 -0.29 0.00 0.00 176.35 176.84 2pph s LEU 53 N 1.42 3.29 -0.17 -0.68 1.43 -0.82 -4.76 118.68 118.39 2pph s LEU 53 Ca 0.05 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2pph s LEU 53 Cb -0.15 -2.56 -0.23 0.00 0.03 0.00 0.00 46.19 43.29 2pph s LEU 53 CO 0.02 -1.92 0.16 0.29 0.23 0.00 0.00 176.35 175.14 2pph n LYS 54 N 9.13 0.68 -4.27 1.70 5.02 -1.26 -4.65 118.16 124.51 2pph n LYS 54 Ca 0.20 0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 56.48 2pph n LYS 54 Cb 0.50 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 2pph n LYS 54 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2pph s ASN 55 N -6.22 0.97 0.40 4.39 0.01 -1.26 -5.04 114.94 108.18 2pph s ASN 55 Ca -0.19 -1.51 0.07 0.00 -0.71 0.00 0.00 52.86 50.52 2pph s ASN 55 Cb 0.07 0.40 0.82 0.00 0.41 0.00 0.00 41.25 42.95 2pph s ASN 55 CO 0.75 -0.89 2.03 -0.61 -1.51 0.00 0.00 177.10 176.87 2pph h GLN 56 N 2.38 0.60 -0.93 -0.60 5.75 -2.00 -2.05 115.11 118.27 2pph h GLN 56 Ca -0.33 -0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.26 2pph h GLN 56 Cb 1.25 -0.14 -0.09 0.00 1.07 0.00 0.00 27.48 29.57 2pph h GLN 56 CO 0.50 0.40 0.55 -0.44 -2.65 0.00 0.00 178.83 177.19 2pph h ASP 57 N 0.62 0.77 -0.73 -0.69 3.32 -1.99 -0.44 116.42 117.27 2pph h ASP 57 Ca 0.20 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 2pph h ASP 57 Cb 0.04 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2pph h ASP 57 CO -0.05 0.39 0.23 -0.78 -1.72 0.00 0.00 179.24 177.31 2pph h ASP 58 N 0.84 1.07 -0.45 6.45 1.82 -1.75 -1.90 116.42 122.50 2pph h ASP 58 Ca 0.47 -0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 56.86 2pph h ASP 58 Cb 0.54 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2pph h ASP 58 CO -0.29 1.00 0.06 0.25 -1.61 0.00 0.00 179.24 178.64 2pph h LEU 59 N 1.10 0.73 -0.75 2.28 5.85 -1.10 -1.98 115.31 121.43 2pph h LEU 59 Ca 0.24 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2pph h LEU 59 Cb 0.31 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2pph h LEU 59 CO -0.01 0.81 0.40 0.44 -0.34 0.00 0.00 178.44 179.74 2pph h ASP 60 N 0.61 0.96 -0.37 1.25 5.19 -0.98 -2.41 116.42 120.66 2pph h ASP 60 Ca 0.14 -0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 2pph h ASP 60 Cb 0.40 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 2pph h ASP 60 CO 0.01 0.79 -0.01 0.50 -3.12 0.00 0.00 179.24 177.41 2pph h LYS 61 N 1.05 0.76 -0.78 3.56 3.64 -1.21 -2.84 116.57 120.74 2pph h LYS 61 Ca 0.26 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2pph h LYS 61 Cb 0.06 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2pph h LYS 61 CO -0.04 0.78 0.36 0.00 -2.27 0.00 0.00 179.45 178.28 2pph h ALA 62 N 1.28 1.16 -0.51 5.00 0.00 -0.88 -2.74 119.26 122.57 2pph h ALA 62 Ca 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2pph h ALA 62 Cb 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2pph h ALA 62 CO 0.02 0.63 0.15 0.82 0.00 0.00 0.00 179.25 180.86 2pph h ILE 63 N 1.12 1.23 -0.97 0.00 2.04 -1.24 -2.58 117.51 117.12 2pph h ILE 63 Ca 0.27 -0.80 0.11 0.00 1.00 0.00 0.00 64.86 65.43 2pph h ILE 63 Cb 0.14 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 2pph h ILE 63 CO -0.03 0.29 0.62 -0.78 0.00 0.00 0.00 178.15 178.25 2pph h ASP 64 N 0.69 0.90 -0.29 1.72 3.58 -1.30 -1.11 116.42 120.60 2pph h ASP 64 Ca 0.16 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.58 2pph h ASP 64 Cb 0.30 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2pph h ASP 64 CO -0.00 0.51 -0.06 0.40 -2.88 0.00 0.00 179.24 177.20 2pph h ILE 65 N 0.98 1.28 -0.29 2.25 2.04 -1.28 -1.23 117.51 121.26 2pph h ILE 65 Ca 0.46 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 65.24 2pph h ILE 65 Cb 0.43 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2pph h ILE 65 CO -0.22 0.35 0.18 0.25 0.00 0.00 0.00 178.15 178.71 2pph h LEU 66 N 0.33 0.30 -0.96 1.44 5.85 -0.98 -1.09 115.31 120.20 2pph h LEU 66 Ca 0.07 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 2pph h LEU 66 Cb 0.54 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2pph h LEU 66 CO 0.03 0.22 0.10 -0.78 -0.34 0.00 0.00 178.44 177.67 2pph h ASP 67 N 0.37 0.81 0.00 1.25 3.58 -1.21 -2.57 116.42 118.66 2pph h ASP 67 Ca 0.11 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 2pph h ASP 67 Cb -0.02 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2pph h ASP 67 CO -0.04 0.81 -0.18 -0.09 -2.88 0.00 0.00 179.24 176.86 2pph h ARG 68 N 0.82 0.34 -6.76 0.28 1.12 -0.77 -3.43 114.38 105.96 2pph h ARG 68 Ca 0.17 -0.10 -0.52 0.00 -1.11 0.00 0.00 59.98 58.42 2pph h ARG 68 Cb 0.35 -0.03 0.05 0.00 -0.01 0.00 0.00 29.97 30.33 2pph h ARG 68 CO 0.00 0.51 0.69 0.45 -3.11 0.00 0.00 179.97 178.52 2pph s SER 69 N -6.84 6.76 0.34 -3.80 0.15 -0.45 -4.93 113.70 104.93 2pph s SER 69 Ca -0.06 2.60 0.18 0.00 0.70 0.00 0.00 55.95 59.36 2pph s SER 69 Cb 0.15 -2.63 0.48 0.00 -1.71 0.00 0.00 66.02 62.31 2pph s SER 69 CO 0.76 -0.60 1.64 0.28 1.20 0.00 0.00 173.24 176.51 2pph h SER 70 N 4.67 0.00 -2.68 5.45 0.02 -1.85 -3.38 113.55 115.78 2pph h SER 70 Ca -0.46 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.89 2pph h SER 70 Cb 1.22 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.37 2pph h SER 70 CO 0.74 0.42 -0.85 -0.55 -1.14 0.00 0.00 176.83 175.46 2pph s SER 71 N -6.43 2.59 -0.29 3.07 0.15 -1.26 -5.04 113.70 106.48 2pph s SER 71 Ca 0.01 -3.09 0.02 0.00 0.70 0.00 0.00 55.95 53.59 2pph s SER 71 Cb 0.10 -0.76 0.18 0.00 -1.71 0.00 0.00 66.02 63.83 2pph s SER 71 CO 0.70 -0.18 0.55 -0.32 1.20 0.00 0.00 173.24 175.20 2pph s MET 72 N -0.12 0.53 -0.10 5.44 0.00 -1.26 -5.06 119.30 118.72 2pph s MET 72 Ca 0.28 0.71 -0.11 0.00 0.00 0.00 0.00 55.69 56.57 2pph s MET 72 Cb -0.04 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 35.00 2pph s MET 72 CO -0.14 -0.82 -0.21 1.63 0.00 0.00 0.00 175.02 175.48 2pph n LYS 73 N 5.41 0.31 -2.24 4.11 4.76 -1.26 -4.84 118.16 124.42 2pph n LYS 73 Ca 0.01 0.12 -0.31 0.00 -2.87 0.00 0.00 58.31 55.27 2pph n LYS 73 Cb 0.52 -1.02 -0.01 0.00 -1.84 0.00 0.00 35.03 32.68 2pph n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2pph s SER 74 N -5.36 6.36 -0.23 4.39 0.15 -1.26 -4.89 113.70 112.86 2pph s SER 74 Ca -0.17 1.33 -0.10 0.00 0.70 0.00 0.00 55.95 57.72 2pph s SER 74 Cb 0.02 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.86 2pph s SER 74 CO 0.25 -0.70 0.14 -0.76 1.20 0.00 0.00 173.24 173.37 2pph s LEU 75 N -4.70 4.00 -0.50 3.45 1.02 -1.19 -4.98 118.68 115.77 2pph s LEU 75 Ca 0.54 0.07 -0.22 0.00 0.02 0.00 0.00 54.13 54.54 2pph s LEU 75 Cb -0.11 -2.07 0.04 0.00 0.02 0.00 0.00 46.19 44.08 2pph s LEU 75 CO 0.45 0.07 0.79 -0.60 0.02 0.00 0.00 176.35 177.08 2pph s ARG 76 N 1.02 3.30 -0.05 1.70 3.52 -1.26 -2.54 118.95 124.63 2pph s ARG 76 Ca 0.07 -0.37 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 2pph s ARG 76 Cb -0.14 -4.02 0.01 0.00 -1.56 0.00 0.00 34.95 29.25 2pph s ARG 76 CO 0.04 -1.27 -0.12 0.42 -0.81 0.00 0.00 175.30 173.56 2pph s ILE 77 N 3.34 1.06 -0.17 4.11 1.01 -1.24 -3.92 121.20 125.40 2pph s ILE 77 Ca 0.26 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 2pph s ILE 77 Cb -0.14 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 2pph s ILE 77 CO 0.19 0.33 0.10 -0.22 0.00 0.00 0.00 174.94 175.34 2pph s LEU 78 N 0.51 4.05 -0.15 2.97 1.98 0.23 -3.53 118.68 124.74 2pph s LEU 78 Ca -0.11 0.21 -0.16 0.00 -2.89 0.00 0.00 54.13 51.18 2pph s LEU 78 Cb -0.14 -2.02 -0.04 0.00 0.66 0.00 0.00 46.19 44.65 2pph s LEU 78 CO 0.03 0.23 0.41 -0.76 -1.89 0.00 0.00 176.35 174.36 2pph s LEU 79 N 0.04 4.24 -0.02 -0.68 1.43 -1.23 -1.39 118.68 121.07 2pph s LEU 79 Ca 0.08 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2pph s LEU 79 Cb -0.12 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2pph s LEU 79 CO 0.00 0.01 -0.07 -0.76 0.23 0.00 0.00 176.35 175.76 2pph s LEU 80 N 0.76 1.78 -0.54 1.79 1.43 -1.06 -4.89 118.68 117.95 2pph s LEU 80 Ca 0.22 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.90 2pph s LEU 80 Cb -0.14 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 2pph s LEU 80 CO 0.08 0.04 1.77 -0.55 0.23 0.00 0.00 176.35 177.92 2pph s SER 81 N 0.21 5.55 -0.37 2.29 0.15 -1.26 -0.40 113.70 119.87 2pph s SER 81 Ca -0.03 0.55 0.08 0.00 0.70 0.00 0.00 55.95 57.26 2pph s SER 81 Cb -0.07 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.15 2pph s SER 81 CO 0.00 -2.12 1.12 1.67 1.20 0.00 0.00 173.24 175.11 2pph n GLN 82 N 8.92 3.11 -3.45 5.44 -0.06 -1.26 -4.95 117.38 125.14 2pph n GLN 82 Ca 0.20 -4.19 -0.40 0.00 -2.00 0.00 0.00 57.00 50.61 2pph n GLN 82 Cb 0.50 -2.10 -0.10 0.00 -4.06 0.00 0.00 30.24 24.49 2pph n GLN 82 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2pph s ASP 83 N -3.53 6.14 -0.08 1.69 -1.08 -1.26 -4.88 116.67 113.67 2pph s ASP 83 Ca 0.45 -0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.49 2pph s ASP 83 Cb 0.40 -2.18 0.45 0.00 -1.46 0.00 0.00 42.92 40.13 2pph s ASP 83 CO -0.08 -0.27 1.16 0.54 0.52 0.00 0.00 175.17 177.04 2pph n ARG 84 N 5.28 0.60 -3.84 4.34 5.12 -1.26 -5.09 116.66 121.80 2pph n ARG 84 Ca -0.10 -2.48 -0.06 0.00 -1.93 0.00 0.00 57.85 53.27 2pph n ARG 84 Cb 0.50 -0.54 0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2pph n ARG 84 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2pph s ASN 85 N -2.52 0.01 0.02 0.55 4.22 -1.26 -4.97 114.94 110.99 2pph s ASN 85 Ca 0.33 -0.97 -0.03 0.00 -2.14 0.00 0.00 52.86 50.06 2pph s ASN 85 Cb 0.37 0.71 -0.01 0.00 1.28 0.00 0.00 41.25 43.61 2pph s ASN 85 CO -0.13 -1.42 -0.05 0.18 -2.04 0.00 0.00 177.10 173.64 2pph n LEU 86 N -0.61 0.80 -0.01 3.54 4.32 -1.26 -4.99 117.00 118.78 2pph n LEU 86 Ca -0.06 0.11 -0.03 0.00 -0.02 0.00 0.00 56.01 56.01 2pph n LEU 86 Cb 0.60 -0.31 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 2pph n LEU 86 CO 0.25 -0.59 -0.60 -0.62 -1.22 0.00 0.00 177.39 174.61 2pph n GLU 87 N -3.24 0.07 -3.76 3.23 4.71 -1.26 -5.08 120.64 115.30 2pph n GLU 87 Ca -0.02 0.02 -0.13 0.00 -0.01 0.00 0.00 57.16 57.03 2pph n GLU 87 Cb 0.07 -0.75 -0.11 0.00 -1.01 0.00 0.00 31.44 29.64 2pph n GLU 87 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 2pph s HIS 88 N -2.06 -0.35 0.38 -0.32 -3.43 -1.26 -4.99 115.29 103.26 2pph s HIS 88 Ca -0.04 0.85 0.00 0.00 -0.80 0.00 0.00 55.06 55.07 2pph s HIS 88 Cb 0.01 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 2pph s HIS 88 CO 0.06 -0.18 0.00 1.58 -2.00 0.00 0.00 174.74 174.20 2pph n HIS 89 N 3.08 -4.27 0.05 0.38 -0.00 -1.26 -5.03 115.22 108.17 2pph n HIS 89 Ca -0.14 1.30 0.00 0.00 0.46 0.00 0.00 57.72 59.34 2pph n HIS 89 Cb 0.57 3.34 0.00 0.00 -0.12 0.00 0.00 29.99 33.78 2pph n HIS 89 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2pph n HIS 90 N -3.32 -0.28 -3.44 1.57 -0.00 -1.26 -5.07 115.22 103.43 2pph n HIS 90 Ca 0.00 0.05 -0.36 0.00 -0.00 0.00 0.00 57.72 57.41 2pph n HIS 90 Cb 0.00 0.07 -0.06 0.00 -0.00 0.00 0.00 29.99 30.00 2pph n HIS 90 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2pph s HIS 91 N -1.87 3.65 -0.39 1.57 0.00 -1.26 -5.05 115.29 111.94 2pph s HIS 91 Ca 0.00 1.00 0.01 0.00 -3.00 0.00 0.00 55.06 53.07 2pph s HIS 91 Cb 0.00 -2.31 0.19 0.00 -4.00 0.00 0.00 32.58 26.46 2pph s HIS 91 CO 0.00 0.52 0.83 -3.38 -1.00 0.00 0.00 174.74 171.70 2pph s HIS 92 N -1.32 -1.14 0.00 0.38 -0.00 -1.26 -4.85 115.29 107.10 2pph s HIS 92 Ca 0.32 0.04 0.00 0.00 -0.00 0.00 0.00 55.06 55.42 2pph s HIS 92 Cb -0.16 0.21 0.00 0.00 -0.00 0.00 0.00 32.58 32.64 2pph s HIS 92 CO 0.18 -0.80 0.25 0.72 -0.00 0.00 0.00 174.74 175.08