#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 5.24 0.02 1.08 0.01 -1.26 -4.89 113.70 113.89 2pph s SER 2 Ca 0.00 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2pph s SER 2 Cb 0.00 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.39 2pph s SER 2 CO 0.00 0.20 0.00 0.47 0.41 0.00 0.00 173.24 174.32 2pph n ASP 3 N 3.37 -6.46 -4.75 2.44 8.00 -1.26 -5.01 116.55 112.88 2pph n ASP 3 Ca -0.17 1.09 -0.35 0.00 0.71 0.00 0.00 54.79 56.06 2pph n ASP 3 Cb 0.52 -3.48 -0.08 0.00 -0.02 0.00 0.00 41.12 38.06 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 -0.35 5.41 -0.25 2.53 1.01 -0.33 -4.90 120.40 123.52 2pph s VAL 4 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 2pph s VAL 4 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2pph s VAL 4 CO 0.00 0.46 0.66 -0.60 0.00 0.00 0.00 175.10 175.62 2pph s ARG 5 N 0.15 4.12 -0.09 2.72 3.52 -1.26 -1.46 118.95 126.64 2pph s ARG 5 Ca 0.10 0.60 0.02 0.00 -0.13 0.00 0.00 55.73 56.33 2pph s ARG 5 Cb -0.11 -3.65 -0.02 0.00 -1.56 0.00 0.00 34.95 29.61 2pph s ARG 5 CO -0.00 -0.43 -0.16 0.42 -0.81 0.00 0.00 175.30 174.31 2pph s ILE 6 N 2.56 2.79 -0.24 4.11 1.01 -0.98 -4.01 121.20 126.44 2pph s ILE 6 Ca 0.27 -0.78 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 2pph s ILE 6 Cb -0.15 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 2pph s ILE 6 CO 0.08 0.55 0.18 -0.54 0.00 0.00 0.00 174.94 175.22 2pph s LYS 7 N -0.03 4.08 -0.07 2.79 1.02 -0.98 -2.75 119.74 123.80 2pph s LYS 7 Ca -0.04 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2pph s LYS 7 Cb -0.14 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2pph s LYS 7 CO 0.04 0.05 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.32 2pph s PHE 8 N 1.09 2.73 -0.07 3.18 0.08 -0.67 -3.34 117.98 120.98 2pph s PHE 8 Ca 0.09 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 56.90 2pph s PHE 8 Cb -0.14 -1.69 -0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2pph s PHE 8 CO 0.05 0.08 -0.24 -2.00 -0.10 0.00 0.00 175.22 173.01 2pph s GLU 9 N -0.43 2.67 -0.15 0.44 -6.30 -1.13 -0.57 118.70 113.23 2pph s GLU 9 Ca 0.05 -0.87 -0.04 0.00 -2.50 0.00 0.00 54.97 51.61 2pph s GLU 9 Cb -0.12 -2.16 0.07 0.00 0.00 0.00 0.00 34.13 31.92 2pph s GLU 9 CO 0.02 0.30 0.24 -1.58 0.02 0.00 0.00 175.26 174.26 2pph s HIS 10 N 0.04 -0.37 -1.54 5.30 2.46 -0.52 -2.61 115.29 118.05 2pph s HIS 10 Ca -0.09 0.71 -0.04 0.00 0.47 0.00 0.00 55.06 56.11 2pph s HIS 10 Cb -0.15 -0.15 0.01 0.00 -0.13 0.00 0.00 32.58 32.16 2pph s HIS 10 CO 0.05 -0.43 0.45 0.09 -2.47 0.00 0.00 174.74 172.44 2pph n ASN 11 N 5.34 -5.65 0.00 9.88 3.02 -1.26 -1.25 115.26 125.33 2pph n ASN 11 Ca -0.06 -0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2pph n ASN 11 Cb 0.50 -4.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 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 -1.35 0.49 3.37 7.41 0.00 -1.26 -5.03 105.19 108.82 2pph n GLY 12 Ca -0.13 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.66 3.50 -0.06 1.61 2.02 -0.38 -5.10 118.70 119.63 2pph s GLU 13 Ca 0.00 -0.56 -0.16 0.00 0.02 0.00 0.00 54.97 54.27 2pph s GLU 13 Cb 0.00 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 2pph s GLU 13 CO 0.00 -0.18 0.43 1.03 0.02 0.00 0.00 175.26 176.57 2pph s ARG 14 N 1.49 4.13 0.02 1.61 0.52 -1.26 -1.43 118.95 124.03 2pph s ARG 14 Ca 0.06 0.42 0.04 0.00 -0.52 0.00 0.00 55.73 55.73 2pph s ARG 14 Cb -0.15 -3.32 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 2pph s ARG 14 CO -0.00 0.44 -0.13 0.50 0.02 0.00 0.00 175.30 176.13 2pph s ARG 15 N -0.28 0.95 -0.27 3.54 3.52 0.27 -4.99 118.95 121.70 2pph s ARG 15 Ca 0.24 -0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 55.17 2pph s ARG 15 Cb -0.16 -0.94 0.01 0.00 -1.56 0.00 0.00 34.95 32.30 2pph s ARG 15 CO 0.12 0.24 0.03 0.42 -0.81 0.00 0.00 175.30 175.30 2pph s ILE 16 N -0.62 3.68 -0.06 4.11 1.01 -1.26 -1.68 121.20 126.38 2pph s ILE 16 Ca 0.03 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.01 2pph s ILE 16 Cb -0.07 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.56 2pph s ILE 16 CO 0.00 0.17 -0.13 -0.63 0.00 0.00 0.00 174.94 174.36 2pph s ILE 17 N 1.47 1.18 -0.11 2.92 -1.09 -1.11 -5.04 121.20 119.42 2pph s ILE 17 Ca 0.03 -0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 57.73 2pph s ILE 17 Cb -0.16 -1.06 -0.04 0.00 -1.58 0.00 0.00 42.46 39.62 2pph s ILE 17 CO 0.00 0.36 0.54 0.00 -1.23 0.00 0.00 174.94 174.61 2pph s ALA 18 N 0.50 3.44 -0.15 9.38 0.00 -1.26 -2.33 121.76 131.35 2pph s ALA 18 Ca -0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 2pph s ALA 18 Cb -0.14 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.27 2pph s ALA 18 CO 0.03 -0.03 -0.10 -0.06 0.00 0.00 0.00 175.76 175.60 2pph s PHE 19 N 0.69 1.87 0.35 0.00 0.08 -0.53 -4.97 117.98 115.45 2pph s PHE 19 Ca 0.29 -1.07 -0.25 0.00 0.12 0.00 0.00 56.93 56.02 2pph s PHE 19 Cb -0.16 -1.42 -0.10 0.00 -0.57 0.00 0.00 43.02 40.78 2pph s PHE 19 CO 0.12 -0.61 0.97 -1.54 -0.10 0.00 0.00 175.22 174.06 2pph s SER 20 N 1.58 7.19 0.05 1.36 1.04 -1.26 -1.18 113.70 122.48 2pph s SER 20 Ca 0.03 1.87 -0.00 0.00 0.48 0.00 0.00 55.95 58.33 2pph s SER 20 Cb -0.14 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 2pph s SER 20 CO -0.09 -0.18 0.21 0.00 0.98 0.00 0.00 173.24 174.17 2pph s ARG 21 N -2.23 3.45 -0.15 4.02 1.70 -1.26 -2.81 118.95 121.67 2pph s ARG 21 Ca 0.53 -0.41 -0.29 0.00 -0.47 0.00 0.00 55.73 55.08 2pph s ARG 21 Cb -0.19 -3.04 -0.01 0.00 -0.57 0.00 0.00 34.95 31.14 2pph s ARG 21 CO 0.24 0.61 1.18 -1.25 -1.08 0.00 0.00 175.30 175.00 2pph s PRO 22 N -2.45 4.28 -0.09 3.89 0.04 -1.26 -4.95 135.00 134.46 2pph s PRO 22 Ca 0.34 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 2pph s PRO 22 Cb -0.13 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 2pph s PRO 22 CO 0.27 -0.60 0.56 0.54 0.04 0.00 0.00 177.00 177.81 2pph s VAL 23 N 3.02 5.12 0.13 -0.36 0.11 -1.12 -5.06 120.40 122.23 2pph s VAL 23 Ca 0.52 1.14 -0.25 0.00 -2.93 0.00 0.00 61.98 60.45 2pph s VAL 23 Cb -0.21 -3.90 -0.07 0.00 -1.53 0.00 0.00 36.38 30.67 2pph s VAL 23 CO 0.15 0.31 0.78 -0.54 -3.33 0.00 0.00 175.10 172.47 2pph s LYS 24 N 0.60 4.55 0.20 1.54 -0.14 -1.26 -4.98 119.74 120.26 2pph s LYS 24 Ca 0.30 1.15 -0.10 0.00 -1.36 0.00 0.00 55.97 55.95 2pph s LYS 24 Cb -0.16 -3.29 0.22 0.00 -1.68 0.00 0.00 37.83 32.92 2pph s LYS 24 CO 0.13 0.48 1.78 -0.92 -0.76 0.00 0.00 175.35 176.06 2pph h TYR 25 N 4.75 0.53 -0.98 3.18 3.20 -1.98 -1.66 116.97 124.01 2pph h TYR 25 Ca -0.46 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.47 2pph h TYR 25 Cb 1.21 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 2pph h TYR 25 CO 0.64 0.23 0.64 0.93 -1.64 0.00 0.00 178.16 178.96 2pph h GLU 26 N 0.54 1.19 -0.43 1.82 5.08 -1.98 0.52 114.58 121.32 2pph h GLU 26 Ca 0.28 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2pph h GLU 26 Cb 0.23 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2pph h GLU 26 CO -0.21 0.79 0.16 0.22 -1.00 0.00 0.00 179.01 178.97 2pph h ASP 27 N 1.22 0.60 -0.06 1.42 1.82 -1.73 0.11 116.42 119.80 2pph h ASP 27 Ca 0.39 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.84 2pph h ASP 27 Cb 0.02 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.87 2pph h ASP 27 CO -0.12 0.61 -0.02 0.58 -1.61 0.00 0.00 179.24 178.68 2pph h VAL 28 N 0.55 1.31 -0.83 2.25 2.07 -0.87 -2.69 116.25 118.03 2pph h VAL 28 Ca 0.14 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2pph h VAL 28 Cb 0.21 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2pph h VAL 28 CO -0.01 0.27 0.49 -0.08 0.02 0.00 0.00 177.57 178.26 2pph h GLU 29 N -0.25 1.14 -0.52 1.57 4.22 -0.87 -2.29 114.58 117.58 2pph h GLU 29 Ca 0.01 -0.11 0.03 0.00 0.08 0.00 0.00 59.36 59.38 2pph h GLU 29 Cb 0.43 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2pph h GLU 29 CO 0.01 0.81 0.29 0.45 -2.18 0.00 0.00 179.01 178.39 2pph h HIS 30 N 1.15 0.54 -0.22 0.92 3.86 -0.77 0.15 115.15 120.78 2pph h HIS 30 Ca 0.30 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2pph h HIS 30 Cb -0.03 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 2pph h HIS 30 CO -0.00 0.29 0.12 -0.22 0.86 0.00 0.00 177.93 178.98 2pph h LYS 31 N 0.57 0.31 -0.16 2.45 1.63 -1.16 0.17 116.57 120.37 2pph h LYS 31 Ca 0.22 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2pph h LYS 31 Cb 0.07 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 2pph h LYS 31 CO -0.12 0.28 0.06 0.28 -3.45 0.00 0.00 179.45 176.51 2pph h VAL 32 N 0.25 0.97 -0.67 2.00 2.07 -1.05 0.30 116.25 120.13 2pph h VAL 32 Ca 0.08 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 2pph h VAL 32 Cb 0.07 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2pph h VAL 32 CO -0.01 0.03 0.17 0.74 0.02 0.00 0.00 177.57 178.51 2pph h THR 33 N 0.14 1.25 -0.05 2.57 2.02 -0.84 -1.64 112.91 116.38 2pph h THR 33 Ca 0.07 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2pph h THR 33 Cb 0.03 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2pph h THR 33 CO -0.06 0.35 -0.11 0.74 0.37 0.00 0.00 175.52 176.81 2pph h THR 34 N 1.00 1.44 -0.11 3.16 2.02 -0.35 0.43 112.91 120.50 2pph h THR 34 Ca 0.21 -1.46 -0.00 0.00 0.77 0.00 0.00 66.41 65.93 2pph h THR 34 Cb 0.34 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2pph h THR 34 CO 0.00 0.40 0.07 0.58 0.37 0.00 0.00 175.52 176.94 2pph h VAL 35 N -0.37 1.06 0.00 3.16 2.07 -0.39 -3.03 116.25 118.76 2pph h VAL 35 Ca -0.00 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2pph h VAL 35 Cb 0.70 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2pph h VAL 35 CO 0.02 0.05 -0.52 -0.26 0.02 0.00 0.00 177.57 176.89 2pph h PHE 36 N 0.12 0.00 0.00 1.57 0.04 -1.40 -3.48 116.94 113.79 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 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2pph h PHE 36 CO -0.06 0.21 0.00 0.41 -0.60 0.00 0.00 178.31 178.27 2pph n GLY 37 N 1.19 1.49 3.11 -1.45 0.00 0.15 -5.03 105.19 104.64 2pph n GLY 37 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.43 0.81 -0.84 1.61 -0.21 -0.94 -4.91 119.66 114.75 2pph s GLN 38 Ca 0.00 -0.68 -0.25 0.00 0.02 0.00 0.00 55.36 54.45 2pph s GLN 38 Cb 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 33.01 33.23 2pph s GLN 38 CO 0.00 0.19 1.63 -1.25 -2.12 0.00 0.00 175.29 173.74 2pph s PRO 39 N -1.06 3.01 -0.07 2.91 0.04 -1.26 -4.06 135.00 134.50 2pph s PRO 39 Ca -0.00 -0.33 -0.14 0.00 0.04 0.00 0.00 61.00 60.57 2pph s PRO 39 Cb -0.07 -4.81 -0.05 0.00 0.04 0.00 0.00 34.50 29.61 2pph s PRO 39 CO 0.01 -2.62 0.35 -0.51 0.04 0.00 0.00 177.00 174.27 2pph s LEU 40 N 7.40 4.38 0.28 -3.56 1.02 -1.26 -3.51 118.68 123.43 2pph s LEU 40 Ca 0.55 0.76 -0.29 0.00 0.02 0.00 0.00 54.13 55.17 2pph s LEU 40 Cb -0.06 -2.48 -0.09 0.00 0.02 0.00 0.00 46.19 43.57 2pph s LEU 40 CO 0.05 0.23 1.05 -0.62 0.02 0.00 0.00 176.35 177.07 2pph s ASP 41 N -0.43 7.35 -0.66 2.29 -1.08 -0.20 -4.75 116.67 119.19 2pph s ASP 41 Ca 0.21 2.15 -0.23 0.00 -0.52 0.00 0.00 52.55 54.16 2pph s ASP 41 Cb -0.15 -2.62 0.07 0.00 -1.46 0.00 0.00 42.92 38.76 2pph s ASP 41 CO 0.09 -0.07 0.99 -0.76 0.52 0.00 0.00 175.17 175.94 2pph s LEU 42 N -1.46 4.26 -0.30 -1.34 1.43 -1.26 -3.33 118.68 116.68 2pph s LEU 42 Ca 0.44 -0.92 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 2pph s LEU 42 Cb -0.29 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 2pph s LEU 42 CO 0.37 -1.47 0.41 -1.00 0.23 0.00 0.00 176.35 174.89 2pph s HIS 43 N 4.21 3.22 -0.29 0.29 3.76 -1.01 -1.05 115.29 124.42 2pph s HIS 43 Ca 0.23 0.27 -0.08 0.00 -0.15 0.00 0.00 55.06 55.34 2pph s HIS 43 Cb -0.16 -2.68 -0.00 0.00 1.11 0.00 0.00 32.58 30.85 2pph s HIS 43 CO 0.11 -0.35 0.09 -0.47 -0.85 0.00 0.00 174.74 173.27 2pph s TYR 44 N 2.14 3.14 -0.15 1.40 6.14 0.18 -1.52 117.35 128.67 2pph s TYR 44 Ca 0.15 -0.79 -0.08 0.00 0.64 0.00 0.00 57.07 57.00 2pph s TYR 44 Cb -0.16 -2.27 -0.04 0.00 0.42 0.00 0.00 41.96 39.90 2pph s TYR 44 CO 0.11 -0.51 0.11 0.00 0.64 0.00 0.00 175.55 175.90 2pph s MET 45 N 1.55 3.74 -0.16 4.97 0.23 -1.26 -0.98 119.30 127.39 2pph s MET 45 Ca 0.04 -0.22 -0.15 0.00 -1.03 0.00 0.00 55.69 54.32 2pph s MET 45 Cb -0.17 -3.23 -0.23 0.00 -1.53 0.00 0.00 34.83 29.67 2pph s MET 45 CO 0.03 0.52 0.31 -0.97 -2.03 0.00 0.00 175.02 172.89 2pph h ASN 46 N 5.86 0.20 0.00 -1.18 -0.73 -1.92 -3.48 115.58 114.34 2pph h ASN 46 Ca -0.47 -0.72 0.00 0.00 1.87 0.00 0.00 56.30 56.98 2pph h ASN 46 Cb 1.19 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.71 2pph h ASN 46 CO 0.66 1.65 0.00 0.59 -0.37 0.00 0.00 177.43 179.96 2pph n ASN 47 N -4.01 -0.25 -0.03 1.15 4.13 -1.26 -4.98 115.26 110.01 2pph n ASN 47 Ca -0.31 0.11 0.01 0.00 1.68 0.00 0.00 54.58 56.06 2pph n ASN 47 Cb 0.85 0.43 -0.09 0.00 -1.54 0.00 0.00 39.78 39.43 2pph n ASN 47 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2pph n GLU 48 N -2.06 1.18 -4.21 3.52 -0.58 -1.26 -4.99 120.64 112.24 2pph n GLU 48 Ca 0.00 -0.06 -0.35 0.00 -0.42 0.00 0.00 57.16 56.32 2pph n GLU 48 Cb 0.00 -1.29 -0.09 0.00 -0.57 0.00 0.00 31.44 29.49 2pph n GLU 48 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pph s LEU 49 N -4.28 3.78 -0.22 -4.62 1.02 -1.26 -5.09 118.68 108.00 2pph s LEU 49 Ca -0.05 0.19 -0.15 0.00 0.02 0.00 0.00 54.13 54.15 2pph s LEU 49 Cb 0.06 -1.89 -0.04 0.00 0.02 0.00 0.00 46.19 44.33 2pph s LEU 49 CO 0.48 0.34 0.35 -0.94 0.02 0.00 0.00 176.35 176.60 2pph s SER 50 N -0.66 6.35 -0.10 2.29 1.04 -1.26 -2.94 113.70 118.42 2pph s SER 50 Ca 0.11 0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.96 2pph s SER 50 Cb -0.12 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.78 2pph s SER 50 CO 0.02 -0.07 -0.13 -0.63 0.98 0.00 0.00 173.24 173.42 2pph s ILE 51 N 1.38 3.13 -0.18 -1.02 1.09 -0.15 -5.01 121.20 120.43 2pph s ILE 51 Ca 0.16 -0.66 -0.08 0.00 -1.10 0.00 0.00 60.65 58.97 2pph s ILE 51 Cb -0.15 -2.28 -0.04 0.00 -1.06 0.00 0.00 42.46 38.93 2pph s ILE 51 CO 0.08 0.55 0.08 -0.22 -0.10 0.00 0.00 174.94 175.33 2pph s LEU 52 N -0.13 3.93 -0.90 2.97 2.96 -1.26 0.47 118.68 126.72 2pph s LEU 52 Ca -0.01 0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 53.80 2pph s LEU 52 Cb -0.14 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.59 2pph s LEU 52 CO 0.03 0.20 1.49 -0.76 -1.32 0.00 0.00 176.35 175.99 2pph s LEU 53 N 0.25 3.35 -0.14 -0.68 1.43 -0.22 -4.76 118.68 117.91 2pph s LEU 53 Ca 0.05 -0.97 0.01 0.00 -1.03 0.00 0.00 54.13 52.19 2pph s LEU 53 Cb -0.12 -2.56 -0.24 0.00 0.03 0.00 0.00 46.19 43.30 2pph s LEU 53 CO -0.00 -1.81 0.27 1.17 0.23 0.00 0.00 176.35 176.20 2pph n LYS 54 N 9.04 0.71 -4.33 1.70 4.81 -1.26 -4.65 118.16 124.18 2pph n LYS 54 Ca 0.25 0.22 -0.17 0.00 -0.87 0.00 0.00 58.31 57.74 2pph n LYS 54 Cb 0.50 -1.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.78 2pph n LYS 54 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2pph s ASN 55 N -6.64 1.32 0.46 3.14 0.01 -1.26 -5.04 114.94 106.92 2pph s ASN 55 Ca -0.21 -1.44 0.12 0.00 -0.71 0.00 0.00 52.86 50.62 2pph s ASN 55 Cb 0.07 0.24 1.06 0.00 0.41 0.00 0.00 41.25 43.04 2pph s ASN 55 CO 0.75 -0.79 2.08 -0.61 -1.51 0.00 0.00 177.10 177.02 2pph h GLN 56 N 2.32 0.21 -0.62 -0.60 5.75 -1.99 -2.55 115.11 117.62 2pph h GLN 56 Ca -0.37 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.22 2pph h GLN 56 Cb 1.25 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.68 2pph h GLN 56 CO 0.58 0.18 0.21 0.22 -2.65 0.00 0.00 178.83 177.36 2pph h ASP 57 N 0.21 0.17 -0.76 -0.69 1.82 -1.99 0.97 116.42 116.15 2pph h ASP 57 Ca 0.06 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.74 2pph h ASP 57 Cb 0.04 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 2pph h ASP 57 CO -0.01 0.09 0.30 0.44 -1.61 0.00 0.00 179.24 178.46 2pph h ASP 58 N 0.37 1.05 -0.43 2.28 5.19 -1.85 -2.03 116.42 121.00 2pph h ASP 58 Ca 0.32 -0.16 -0.07 0.00 -0.62 0.00 0.00 57.03 56.50 2pph h ASP 58 Cb 0.43 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2pph h ASP 58 CO -0.35 0.94 -0.01 0.25 -3.12 0.00 0.00 179.24 176.95 2pph h LEU 59 N 1.12 0.75 -0.63 1.55 5.85 -1.15 -2.10 115.31 120.69 2pph h LEU 59 Ca 0.26 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2pph h LEU 59 Cb 0.21 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2pph h LEU 59 CO -0.02 0.88 0.35 0.44 -0.34 0.00 0.00 178.44 179.75 2pph h ASP 60 N 0.60 0.78 -0.79 1.25 5.19 -0.67 -1.66 116.42 121.13 2pph h ASP 60 Ca 0.12 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2pph h ASP 60 Cb 0.50 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 2pph h ASP 60 CO 0.02 0.65 0.36 0.11 -3.12 0.00 0.00 179.24 177.26 2pph h LYS 61 N 0.86 1.15 -0.61 3.56 1.57 -1.28 -2.12 116.57 119.70 2pph h LYS 61 Ca 0.22 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2pph h LYS 61 Cb 0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2pph h LYS 61 CO -0.04 0.90 0.29 0.00 -0.57 0.00 0.00 179.45 180.04 2pph h ALA 62 N 1.19 0.78 -0.47 3.86 0.00 -0.93 -2.59 119.26 121.10 2pph h ALA 62 Ca 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2pph h ALA 62 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2pph h ALA 62 CO -0.03 0.35 0.18 0.82 0.00 0.00 0.00 179.25 180.57 2pph h ILE 63 N 0.83 1.21 -0.71 0.00 2.04 -1.06 -1.28 117.51 118.53 2pph h ILE 63 Ca 0.21 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.49 2pph h ILE 63 Cb 0.12 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2pph h ILE 63 CO -0.03 0.24 0.38 -0.78 0.00 0.00 0.00 178.15 177.97 2pph h ASP 64 N 0.61 0.54 -0.37 1.72 3.58 -1.21 0.39 116.42 121.69 2pph h ASP 64 Ca 0.16 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.53 2pph h ASP 64 Cb 0.20 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2pph h ASP 64 CO -0.01 0.33 -0.24 0.40 -2.88 0.00 0.00 179.24 176.84 2pph h ILE 65 N 0.68 1.28 -0.48 2.25 2.04 -1.26 -2.85 117.51 119.18 2pph h ILE 65 Ca 0.33 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 2pph h ILE 65 Cb 0.28 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2pph h ILE 65 CO -0.22 0.46 0.30 0.25 0.00 0.00 0.00 178.15 178.93 2pph h LEU 66 N 0.61 0.57 -0.85 1.44 5.85 -0.59 -0.19 115.31 122.16 2pph h LEU 66 Ca 0.07 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2pph h LEU 66 Cb 0.80 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2pph h LEU 66 CO 0.07 0.45 0.54 -0.78 -0.34 0.00 0.00 178.44 178.38 2pph h ASP 67 N 0.64 0.90 0.26 1.25 3.58 -0.92 -2.26 116.42 119.87 2pph h ASP 67 Ca 0.17 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.47 2pph h ASP 67 Cb -0.02 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 2pph h ASP 67 CO -0.03 0.62 -0.56 -0.09 -2.88 0.00 0.00 179.24 176.29 2pph h ARG 68 N 1.05 0.32 -6.18 0.28 2.43 -1.23 -3.41 114.38 107.64 2pph h ARG 68 Ca 0.34 -0.20 -0.57 0.00 -0.81 0.00 0.00 59.98 58.73 2pph h ARG 68 Cb 0.01 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.49 2pph h ARG 68 CO -0.12 0.79 0.85 -1.54 -1.51 0.00 0.00 179.97 178.45 2pph s SER 69 N -6.90 6.28 0.07 -3.80 1.04 -0.11 -4.88 113.70 105.41 2pph s SER 69 Ca -0.05 -0.35 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 2pph s SER 69 Cb 0.12 -2.51 -0.25 0.00 0.10 0.00 0.00 66.02 63.48 2pph s SER 69 CO 0.80 -1.54 1.15 0.28 0.98 0.00 0.00 173.24 174.91 2pph h SER 70 N 9.66 0.73 -0.22 7.02 0.02 -1.80 -3.28 113.55 125.69 2pph h SER 70 Ca -0.27 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 59.98 2pph h SER 70 Cb 1.06 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2pph h SER 70 CO 1.20 1.50 0.08 0.77 -1.14 0.00 0.00 176.83 179.23 2pph h SER 71 N 0.23 0.36 -4.11 3.07 4.64 -1.94 -3.43 113.55 112.37 2pph h SER 71 Ca -0.16 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.58 2pph h SER 71 Cb 1.87 -0.09 0.13 0.00 -0.31 0.00 0.00 62.40 64.00 2pph h SER 71 CO 0.22 0.36 0.48 -0.32 -0.87 0.00 0.00 176.83 176.71 2pph s MET 72 N -5.14 2.76 -0.27 4.77 0.00 -1.24 -5.02 119.30 115.16 2pph s MET 72 Ca -0.07 1.91 0.01 0.00 0.00 0.00 0.00 55.69 57.54 2pph s MET 72 Cb 0.16 -1.89 0.08 0.00 0.00 0.00 0.00 34.83 33.18 2pph s MET 72 CO 0.73 -1.40 0.02 0.15 0.00 0.00 0.00 175.02 174.52 2pph s LYS 73 N -3.39 1.23 0.45 4.11 1.02 -1.26 -5.05 119.74 116.85 2pph s LYS 73 Ca 0.79 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2pph s LYS 73 Cb -0.33 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 2pph s LYS 73 CO 0.36 -0.78 0.00 0.43 -0.92 0.00 0.00 175.35 174.44 2pph n SER 74 N 4.68 -5.81 -4.64 2.83 7.64 -1.26 -4.77 113.62 112.29 2pph n SER 74 Ca -0.06 0.94 -0.37 0.00 1.01 0.00 0.00 58.87 60.39 2pph n SER 74 Cb 0.43 -2.65 -0.10 0.00 -1.01 0.00 0.00 64.21 60.89 2pph n SER 74 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2pph s LEU 75 N 0.00 4.09 -0.49 -3.43 1.43 -1.26 -4.93 118.68 114.09 2pph s LEU 75 Ca 0.00 0.15 -0.20 0.00 -1.03 0.00 0.00 54.13 53.05 2pph s LEU 75 Cb 0.00 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 44.07 2pph s LEU 75 CO 0.00 -0.00 0.67 -0.60 0.23 0.00 0.00 176.35 176.65 2pph s ARG 76 N 1.35 3.20 -0.06 1.70 3.00 -1.26 -2.31 118.95 124.57 2pph s ARG 76 Ca 0.10 -0.62 0.03 0.00 -1.00 0.00 0.00 55.73 54.23 2pph s ARG 76 Cb -0.14 -4.04 0.01 0.00 0.00 0.00 0.00 34.95 30.78 2pph s ARG 76 CO 0.07 -1.18 -0.13 0.42 0.00 0.00 0.00 175.30 174.47 2pph s ILE 77 N 2.88 1.20 -0.23 4.11 1.01 -1.21 -3.99 121.20 124.96 2pph s ILE 77 Ca 0.20 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 2pph s ILE 77 Cb -0.16 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2pph s ILE 77 CO 0.15 0.37 0.12 -0.76 0.00 0.00 0.00 174.94 174.82 2pph s LEU 78 N 0.52 3.91 -0.09 2.97 2.01 -0.57 -2.86 118.68 124.57 2pph s LEU 78 Ca -0.13 0.03 -0.16 0.00 0.01 0.00 0.00 54.13 53.89 2pph s LEU 78 Cb -0.15 -2.04 -0.05 0.00 0.01 0.00 0.00 46.19 43.96 2pph s LEU 78 CO 0.04 0.06 0.40 -0.76 1.01 0.00 0.00 176.35 177.09 2pph s LEU 79 N 1.08 4.33 -0.01 1.79 1.43 -1.07 -2.40 118.68 123.82 2pph s LEU 79 Ca 0.06 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2pph s LEU 79 Cb -0.14 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.53 2pph s LEU 79 CO 0.04 0.14 0.02 -1.48 0.23 0.00 0.00 176.35 175.30 2pph s LEU 80 N 0.03 1.62 0.62 1.79 2.34 -1.21 -4.83 118.68 119.04 2pph s LEU 80 Ca 0.22 0.03 -0.17 0.00 0.06 0.00 0.00 54.13 54.27 2pph s LEU 80 Cb -0.15 -0.00 -0.02 0.00 -0.56 0.00 0.00 46.19 45.46 2pph s LEU 80 CO 0.09 -0.05 1.17 -0.94 -1.06 0.00 0.00 176.35 175.56 2pph s SER 81 N 0.42 5.11 -0.33 1.48 1.04 -1.26 -1.03 113.70 119.13 2pph s SER 81 Ca -0.03 2.25 0.07 0.00 0.48 0.00 0.00 55.95 58.72 2pph s SER 81 Cb -0.05 -2.58 0.49 0.00 0.10 0.00 0.00 66.02 63.98 2pph s SER 81 CO -0.01 -1.64 1.46 1.67 0.98 0.00 0.00 173.24 175.70 2pph n GLN 82 N -1.91 2.30 -3.63 4.02 -0.06 -1.23 -4.87 117.38 112.00 2pph n GLN 82 Ca 0.12 -3.43 -0.08 0.00 -2.00 0.00 0.00 57.00 51.61 2pph n GLN 82 Cb 0.51 -1.96 -0.07 0.00 -4.06 0.00 0.00 30.24 24.66 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 -2.73 -0.38 -1.11 1.69 2.15 -1.26 -5.08 116.67 109.96 2pph s ASP 83 Ca 0.48 0.68 -0.04 0.00 0.43 0.00 0.00 52.55 54.10 2pph s ASP 83 Cb 0.42 0.67 0.28 0.00 -0.30 0.00 0.00 42.92 43.99 2pph s ASP 83 CO 0.00 -0.16 1.66 -2.11 -0.17 0.00 0.00 175.17 174.39 2pph n ARG 84 N 1.87 4.60 -3.10 4.34 1.85 -1.26 -4.79 116.66 120.19 2pph n ARG 84 Ca -0.12 -4.40 -0.17 0.00 -1.00 0.00 0.00 57.85 52.17 2pph n ARG 84 Cb 0.56 -2.56 -0.05 0.00 -1.05 0.00 0.00 32.46 29.37 2pph n ARG 84 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2pph n ASN 85 N 1.34 -1.69 -2.70 2.89 4.05 -1.26 -4.96 115.26 112.93 2pph n ASN 85 Ca 0.34 -2.67 -0.03 0.00 0.45 0.00 0.00 54.58 52.67 2pph n ASN 85 Cb 0.31 0.46 0.11 0.00 1.23 0.00 0.00 39.78 41.89 2pph n ASN 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pph n LEU 86 N 2.65 -0.91 0.18 1.20 -0.00 -1.26 -4.99 117.00 113.87 2pph n LEU 86 Ca 0.23 -3.25 0.00 0.00 -0.00 0.00 0.00 56.01 53.00 2pph n LEU 86 Cb 0.52 0.16 0.00 0.00 -0.00 0.00 0.00 43.42 44.10 2pph n LEU 86 CO 0.05 1.63 0.00 1.21 -0.00 0.00 0.00 177.39 180.28 2pph n GLU 87 N -1.18 0.00 -2.87 1.47 4.07 -1.26 -5.06 120.64 115.81 2pph n GLU 87 Ca -0.10 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.57 2pph n GLU 87 Cb 0.86 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 32.20 2pph n GLU 87 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2pph s HIS 88 N -1.89 2.74 -0.24 4.31 2.46 -1.26 -4.98 115.29 116.44 2pph s HIS 88 Ca 0.00 -0.36 -0.15 0.00 0.47 0.00 0.00 55.06 55.02 2pph s HIS 88 Cb 0.00 -4.15 0.07 0.00 -0.13 0.00 0.00 32.58 28.36 2pph s HIS 88 CO 0.00 -1.50 0.59 -3.38 -2.47 0.00 0.00 174.74 167.98 2pph s HIS 89 N 3.91 -0.84 -0.13 3.88 -3.43 -1.26 -5.05 115.29 112.37 2pph s HIS 89 Ca 0.24 1.77 0.03 0.00 -0.80 0.00 0.00 55.06 56.30 2pph s HIS 89 Cb -0.15 0.44 -0.09 0.00 -1.43 0.00 0.00 32.58 31.34 2pph s HIS 89 CO 0.13 -0.43 -0.08 1.58 -2.00 0.00 0.00 174.74 173.94 2pph n HIS 90 N 3.98 0.00 -2.94 0.38 -0.00 -1.26 -4.96 115.22 110.42 2pph n HIS 90 Ca -0.20 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.57 2pph n HIS 90 Cb 0.57 -0.51 -0.05 0.00 -0.12 0.00 0.00 29.99 29.89 2pph n HIS 90 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2pph s HIS 91 N -2.26 3.32 0.83 1.57 5.65 -1.26 -5.06 115.29 118.08 2pph s HIS 91 Ca -0.15 1.08 -0.07 0.00 0.25 0.00 0.00 55.06 56.17 2pph s HIS 91 Cb 0.04 -3.00 0.18 0.00 -1.18 0.00 0.00 32.58 28.62 2pph s HIS 91 CO 0.33 -0.37 1.13 1.58 -0.65 0.00 0.00 174.74 176.76 2pph n HIS 92 N 5.86 -3.39 1.55 3.88 -0.00 -1.26 -5.25 115.22 116.62 2pph n HIS 92 Ca 0.04 -1.50 0.14 0.00 0.46 0.00 0.00 57.72 56.86 2pph n HIS 92 Cb 0.48 -0.85 0.57 0.00 -0.12 0.00 0.00 29.99 30.07 2pph n HIS 92 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52