#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 0.86 -0.10 1.08 1.04 -1.26 -5.05 113.70 110.28 2pph s SER 2 Ca 0.00 -1.46 -0.07 0.00 0.48 0.00 0.00 55.95 54.90 2pph s SER 2 Cb 0.00 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.78 2pph s SER 2 CO 0.00 -1.25 0.14 0.47 0.98 0.00 0.00 173.24 173.58 2pph n ASP 3 N -1.29 -2.14 -4.81 7.02 8.00 -1.26 -4.97 116.55 117.10 2pph n ASP 3 Ca 0.01 1.00 -0.37 0.00 0.71 0.00 0.00 54.79 56.14 2pph n ASP 3 Cb 0.62 -3.92 -0.07 0.00 -0.02 0.00 0.00 41.12 37.73 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 -0.44 5.35 -0.36 2.53 1.01 0.06 -4.86 120.40 123.68 2pph s VAL 4 Ca -0.16 0.41 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 2pph s VAL 4 Cb 0.01 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2pph s VAL 4 CO 0.43 0.53 0.80 -0.60 0.00 0.00 0.00 175.10 176.26 2pph s ARG 5 N -0.45 3.76 -0.24 2.72 3.52 -1.26 -1.41 118.95 125.59 2pph s ARG 5 Ca 0.16 0.34 -0.06 0.00 -0.13 0.00 0.00 55.73 56.04 2pph s ARG 5 Cb -0.13 -3.81 -0.02 0.00 -1.56 0.00 0.00 34.95 29.43 2pph s ARG 5 CO 0.05 -0.86 0.02 0.42 -0.81 0.00 0.00 175.30 174.11 2pph s ILE 6 N 3.15 3.84 -0.36 4.11 -1.09 -0.57 -1.12 121.20 129.16 2pph s ILE 6 Ca 0.32 -0.35 -0.17 0.00 -2.23 0.00 0.00 60.65 58.22 2pph s ILE 6 Cb -0.13 -2.78 -0.00 0.00 -1.58 0.00 0.00 42.46 37.96 2pph s ILE 6 CO 0.17 0.37 0.44 -0.75 -1.23 0.00 0.00 174.94 173.94 2pph s LYS 7 N 1.54 3.53 -0.11 2.79 2.36 0.11 -2.22 119.74 127.75 2pph s LYS 7 Ca 0.06 -0.33 -0.06 0.00 -2.55 0.00 0.00 55.97 53.08 2pph s LYS 7 Cb -0.15 -3.83 -0.04 0.00 -1.05 0.00 0.00 37.83 32.77 2pph s LYS 7 CO 0.00 -0.62 0.13 -0.06 1.55 0.00 0.00 175.35 176.35 2pph s PHE 8 N 2.22 3.57 -0.04 4.03 0.08 0.09 -2.60 117.98 125.34 2pph s PHE 8 Ca 0.15 0.50 -0.01 0.00 0.12 0.00 0.00 56.93 57.70 2pph s PHE 8 Cb -0.16 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.39 2pph s PHE 8 CO 0.13 0.72 0.03 -2.00 -0.10 0.00 0.00 175.22 174.00 2pph s GLU 9 N -1.07 0.14 -0.15 0.44 2.56 -1.17 0.12 118.70 119.56 2pph s GLU 9 Ca 0.16 0.22 -0.04 0.00 0.00 0.00 0.00 54.97 55.30 2pph s GLU 9 Cb -0.12 -0.52 0.05 0.00 2.00 0.00 0.00 34.13 35.55 2pph s GLU 9 CO 0.05 -0.24 0.07 -1.58 -0.56 0.00 0.00 175.26 173.00 2pph s HIS 10 N 1.60 0.33 -1.50 5.30 2.46 -0.48 -2.58 115.29 120.42 2pph s HIS 10 Ca -0.02 -0.30 -0.06 0.00 0.47 0.00 0.00 55.06 55.14 2pph s HIS 10 Cb -0.13 -0.72 0.02 0.00 -0.13 0.00 0.00 32.58 31.62 2pph s HIS 10 CO -0.03 -0.47 0.72 -1.71 -2.47 0.00 0.00 174.74 170.78 2pph n ASN 11 N 5.24 -5.88 0.00 9.88 2.85 -1.26 -1.17 115.26 124.91 2pph n ASN 11 Ca -0.07 -0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.04 2pph n ASN 11 Cb 0.49 -4.73 0.00 0.00 1.24 0.00 0.00 39.78 36.78 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 -1.59 2.27 3.56 8.20 0.00 -1.26 -5.00 105.19 111.37 2pph n GLY 12 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2pph n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pph s GLU 13 N -0.48 3.41 -0.03 1.61 2.12 -0.32 -5.01 118.70 120.00 2pph s GLU 13 Ca 0.00 0.06 -0.16 0.00 0.36 0.00 0.00 54.97 55.23 2pph s GLU 13 Cb 0.00 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.27 2pph s GLU 13 CO 0.00 -1.77 0.45 -0.98 -0.54 0.00 0.00 175.26 172.42 2pph s ARG 14 N 5.02 4.10 0.01 4.30 1.70 -1.26 -1.39 118.95 131.43 2pph s ARG 14 Ca 0.39 0.47 0.01 0.00 -0.47 0.00 0.00 55.73 56.14 2pph s ARG 14 Cb -0.08 -3.29 -0.01 0.00 -0.57 0.00 0.00 34.95 31.00 2pph s ARG 14 CO 0.22 0.52 -0.05 0.50 -1.08 0.00 0.00 175.30 175.41 2pph s ARG 15 N -0.55 0.37 -0.22 3.89 3.52 0.12 -4.99 118.95 121.07 2pph s ARG 15 Ca 0.25 -0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 55.46 2pph s ARG 15 Cb -0.17 -0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.95 2pph s ARG 15 CO 0.13 0.06 -0.01 0.42 -0.81 0.00 0.00 175.30 175.10 2pph s ILE 16 N -0.55 3.70 -0.03 4.11 1.01 -1.26 -0.73 121.20 127.44 2pph s ILE 16 Ca -0.03 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.25 2pph s ILE 16 Cb -0.04 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.74 2pph s ILE 16 CO -0.00 0.40 -0.05 -0.63 0.00 0.00 0.00 174.94 174.66 2pph s ILE 17 N 1.44 0.51 0.07 2.92 1.01 -0.94 -5.03 121.20 121.18 2pph s ILE 17 Ca 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 2pph s ILE 17 Cb -0.15 -0.51 -0.06 0.00 0.01 0.00 0.00 42.46 41.76 2pph s ILE 17 CO -0.01 0.20 0.42 0.00 0.00 0.00 0.00 174.94 175.55 2pph s ALA 18 N 0.62 3.70 -0.10 9.38 0.00 -1.26 -1.51 121.76 132.59 2pph s ALA 18 Ca -0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 2pph s ALA 18 Cb -0.11 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.71 2pph s ALA 18 CO 0.00 0.53 -0.07 -0.06 0.00 0.00 0.00 175.76 176.16 2pph s PHE 19 N -1.33 1.41 0.03 0.00 0.40 -0.50 -4.96 117.98 113.03 2pph s PHE 19 Ca 0.31 -0.67 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 2pph s PHE 19 Cb -0.15 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.16 2pph s PHE 19 CO 0.17 -0.47 1.13 -1.12 0.70 0.00 0.00 175.22 175.63 2pph s SER 20 N 1.61 7.16 0.55 1.36 0.01 -1.26 -0.76 113.70 122.38 2pph s SER 20 Ca 0.03 1.88 -0.19 0.00 1.31 0.00 0.00 55.95 58.98 2pph s SER 20 Cb -0.13 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 2pph s SER 20 CO -0.07 -0.42 1.12 -0.13 0.41 0.00 0.00 173.24 174.15 2pph s ARG 21 N 1.18 3.32 0.14 12.44 0.52 -1.26 -4.03 118.95 131.27 2pph s ARG 21 Ca 0.56 1.56 -0.30 0.00 -0.52 0.00 0.00 55.73 57.03 2pph s ARG 21 Cb -0.26 -2.01 -0.07 0.00 0.52 0.00 0.00 34.95 33.13 2pph s ARG 21 CO 0.28 -0.86 1.12 -2.14 0.02 0.00 0.00 175.30 173.72 2pph s PRO 22 N -3.40 4.55 -0.28 3.54 0.02 -1.26 -4.95 135.00 133.23 2pph s PRO 22 Ca 0.71 1.73 -0.25 0.00 0.02 0.00 0.00 61.00 63.21 2pph s PRO 22 Cb -0.23 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.00 2pph s PRO 22 CO 0.28 -0.02 0.88 0.54 -0.33 0.00 0.00 177.00 178.36 2pph s VAL 23 N 0.13 4.74 -0.19 3.83 0.11 -1.26 -5.04 120.40 122.73 2pph s VAL 23 Ca 0.52 1.51 -0.09 0.00 -2.93 0.00 0.00 61.98 60.99 2pph s VAL 23 Cb -0.29 -4.20 -0.05 0.00 -1.53 0.00 0.00 36.38 30.31 2pph s VAL 23 CO 0.33 -0.22 0.11 -0.54 -3.33 0.00 0.00 175.10 171.45 2pph s LYS 24 N 3.07 4.13 0.20 1.54 -0.14 -1.26 -5.00 119.74 122.28 2pph s LYS 24 Ca 0.37 -0.26 -0.10 0.00 -1.36 0.00 0.00 55.97 54.62 2pph s LYS 24 Cb -0.14 -3.36 0.24 0.00 -1.68 0.00 0.00 37.83 32.88 2pph s LYS 24 CO 0.10 0.29 1.77 -0.92 -0.76 0.00 0.00 175.35 175.84 2pph h TYR 25 N 6.68 0.51 -0.77 3.18 3.20 -1.96 -1.37 116.97 126.44 2pph h TYR 25 Ca -0.40 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.50 2pph h TYR 25 Cb 1.16 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 2pph h TYR 25 CO 0.57 0.20 0.51 0.93 -1.64 0.00 0.00 178.16 178.73 2pph h GLU 26 N 0.52 1.02 -0.51 1.82 5.08 -1.98 0.58 114.58 121.11 2pph h GLU 26 Ca 0.29 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2pph h GLU 26 Cb 0.27 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2pph h GLU 26 CO -0.23 0.68 0.24 0.22 -1.00 0.00 0.00 179.01 178.92 2pph h ASP 27 N 1.05 0.67 -0.12 1.42 3.58 -1.77 0.66 116.42 121.91 2pph h ASP 27 Ca 0.28 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 2pph h ASP 27 Cb -0.11 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.76 2pph h ASP 27 CO -0.06 0.61 -0.01 0.58 -2.88 0.00 0.00 179.24 177.48 2pph h VAL 28 N 0.67 1.27 -0.86 2.25 2.07 -0.93 -2.85 116.25 117.87 2pph h VAL 28 Ca 0.17 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.84 2pph h VAL 28 Cb 0.13 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2pph h VAL 28 CO -0.02 0.25 0.55 -0.08 0.02 0.00 0.00 177.57 178.30 2pph h GLU 29 N -0.08 1.05 -0.54 1.57 4.81 -0.78 -1.47 114.58 119.14 2pph h GLU 29 Ca 0.03 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 2pph h GLU 29 Cb 0.40 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2pph h GLU 29 CO 0.01 0.70 0.28 0.45 -0.73 0.00 0.00 179.01 179.72 2pph h HIS 30 N 1.08 0.52 -0.13 0.92 3.86 -0.79 0.13 115.15 120.74 2pph h HIS 30 Ca 0.34 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 2pph h HIS 30 Cb -0.01 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 2pph h HIS 30 CO -0.02 0.26 -0.01 -0.22 0.86 0.00 0.00 177.93 178.80 2pph h LYS 31 N 0.55 0.23 -0.67 2.45 3.64 -1.22 -1.99 116.57 119.57 2pph h LYS 31 Ca 0.24 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2pph h LYS 31 Cb 0.13 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2pph h LYS 31 CO -0.15 0.49 0.41 0.28 -2.27 0.00 0.00 179.45 178.20 2pph h VAL 32 N -0.04 1.07 -0.74 2.00 2.07 -0.98 0.11 116.25 119.74 2pph h VAL 32 Ca 0.04 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2pph h VAL 32 Cb 0.39 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2pph h VAL 32 CO 0.01 0.15 0.31 0.74 0.02 0.00 0.00 177.57 178.79 2pph h THR 33 N 0.80 1.25 -0.12 2.57 2.02 -0.71 -1.78 112.91 116.94 2pph h THR 33 Ca 0.27 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 2pph h THR 33 Cb 0.05 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2pph h THR 33 CO -0.12 0.31 -0.26 0.74 0.37 0.00 0.00 175.52 176.56 2pph h THR 34 N 1.07 1.38 -0.09 3.16 2.02 -0.67 0.59 112.91 120.38 2pph h THR 34 Ca 0.25 -1.55 0.01 0.00 0.77 0.00 0.00 66.41 65.89 2pph h THR 34 Cb 0.18 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 2pph h THR 34 CO -0.02 0.45 0.01 0.58 0.37 0.00 0.00 175.52 176.91 2pph h VAL 35 N -0.04 0.95 0.00 3.16 2.07 -0.69 -3.03 116.25 118.67 2pph h VAL 35 Ca 0.00 -0.01 -0.16 0.00 0.82 0.00 0.00 66.70 67.34 2pph h VAL 35 Cb 0.86 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2pph h VAL 35 CO 0.06 0.01 -0.96 -0.26 0.02 0.00 0.00 177.57 176.44 2pph h PHE 36 N 0.04 0.00 0.00 1.57 0.04 -1.41 -3.48 116.94 113.70 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 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2pph h PHE 36 CO -0.11 0.69 0.00 0.41 -0.60 0.00 0.00 178.31 178.70 2pph n GLY 37 N 1.33 0.83 3.61 -1.45 0.00 0.19 -5.06 105.19 104.64 2pph n GLY 37 Ca -0.03 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 2pph n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pph s GLN 38 N -2.12 0.48 -0.55 1.61 -0.21 -0.13 -4.99 119.66 113.76 2pph s GLN 38 Ca 0.00 0.29 -0.27 0.00 0.02 0.00 0.00 55.36 55.40 2pph s GLN 38 Cb 0.00 0.23 -0.00 0.00 1.00 0.00 0.00 33.01 34.24 2pph s GLN 38 CO 0.00 -0.12 1.65 -1.25 -2.12 0.00 0.00 175.29 173.45 2pph s PRO 39 N -0.54 3.03 0.22 2.91 0.04 -1.26 -4.23 135.00 135.17 2pph s PRO 39 Ca 0.01 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 2pph s PRO 39 Cb -0.02 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 2pph s PRO 39 CO -0.03 -2.26 0.42 -0.51 0.04 0.00 0.00 177.00 174.66 2pph s LEU 40 N 7.40 4.20 0.10 -3.56 1.02 -1.26 -4.23 118.68 122.35 2pph s LEU 40 Ca 0.62 0.43 -0.19 0.00 0.02 0.00 0.00 54.13 55.01 2pph s LEU 40 Cb -0.13 -3.21 -0.07 0.00 0.02 0.00 0.00 46.19 42.80 2pph s LEU 40 CO 0.24 -0.07 0.59 -0.62 0.02 0.00 0.00 176.35 176.51 2pph s ASP 41 N -3.22 7.06 -0.24 2.29 -1.08 0.22 -4.84 116.67 116.85 2pph s ASP 41 Ca 0.39 1.28 -0.10 0.00 -0.52 0.00 0.00 52.55 53.60 2pph s ASP 41 Cb -0.11 -2.37 -0.05 0.00 -1.46 0.00 0.00 42.92 38.94 2pph s ASP 41 CO 0.29 0.23 0.15 -0.76 0.52 0.00 0.00 175.17 175.61 2pph s LEU 42 N -1.29 4.03 -0.12 -1.34 1.43 -1.26 -2.31 118.68 117.82 2pph s LEU 42 Ca 0.32 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2pph s LEU 42 Cb -0.19 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2pph s LEU 42 CO 0.20 0.04 -0.18 -1.00 0.23 0.00 0.00 176.35 175.64 2pph s HIS 43 N 1.18 2.70 -0.13 0.29 3.76 -0.24 -0.82 115.29 122.04 2pph s HIS 43 Ca 0.07 -0.88 -0.00 0.00 -0.15 0.00 0.00 55.06 54.10 2pph s HIS 43 Cb -0.14 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.74 2pph s HIS 43 CO 0.05 -0.34 -0.13 -0.47 -0.85 0.00 0.00 174.74 173.00 2pph s TYR 44 N 0.41 2.80 -0.29 1.40 6.14 -0.28 -0.14 117.35 127.40 2pph s TYR 44 Ca -0.14 -0.67 -0.05 0.00 0.64 0.00 0.00 57.07 56.85 2pph s TYR 44 Cb -0.17 -1.84 0.02 0.00 0.42 0.00 0.00 41.96 40.39 2pph s TYR 44 CO 0.06 -0.23 0.04 -1.64 0.64 0.00 0.00 175.55 174.42 2pph s MET 45 N 0.38 2.84 0.01 4.97 -1.94 -1.26 -0.43 119.30 123.87 2pph s MET 45 Ca -0.11 -1.01 -0.25 0.00 -1.71 0.00 0.00 55.69 52.62 2pph s MET 45 Cb -0.16 -3.26 -0.18 0.00 2.01 0.00 0.00 34.83 33.25 2pph s MET 45 CO 0.06 -0.50 1.29 -2.95 -0.01 0.00 0.00 175.02 172.91 2pph h ASN 46 N 8.14 -0.19 0.00 3.03 -1.07 -1.91 -3.48 115.58 120.10 2pph h ASN 46 Ca -0.29 -0.26 0.00 0.00 0.07 0.00 0.00 56.30 55.82 2pph h ASN 46 Cb 1.10 0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.40 2pph h ASN 46 CO 0.59 0.17 0.00 0.59 0.07 0.00 0.00 177.43 178.85 2pph n ASN 47 N -5.03 0.00 -0.05 6.14 4.13 -1.26 -4.97 115.26 114.21 2pph n ASN 47 Ca -0.09 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.21 2pph n ASN 47 Cb 0.23 0.13 0.06 0.00 -1.54 0.00 0.00 39.78 38.67 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 -1.92 2.31 -4.20 3.52 1.02 -1.26 -5.03 120.64 115.09 2pph n GLU 48 Ca 0.00 -1.96 -0.18 0.00 -0.02 0.00 0.00 57.16 55.00 2pph n GLU 48 Cb 0.00 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.78 2.24 -0.15 -4.62 1.43 -1.26 -5.15 118.68 109.40 2pph s LEU 49 Ca 0.14 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2pph s LEU 49 Cb 0.12 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 2pph s LEU 49 CO 0.02 -0.07 -0.09 -0.44 0.23 0.00 0.00 176.35 176.00 2pph s SER 50 N -1.53 4.30 -0.10 2.29 0.01 -1.26 -2.81 113.70 114.59 2pph s SER 50 Ca -0.02 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.99 2pph s SER 50 Cb -0.09 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.44 2pph s SER 50 CO 0.02 0.14 -0.17 -0.63 0.41 0.00 0.00 173.24 173.01 2pph s ILE 51 N 0.49 2.74 0.08 1.44 1.09 0.42 -4.97 121.20 122.49 2pph s ILE 51 Ca -0.07 -0.79 -0.28 0.00 -1.10 0.00 0.00 60.65 58.41 2pph s ILE 51 Cb -0.15 -2.10 -0.05 0.00 -1.06 0.00 0.00 42.46 39.09 2pph s ILE 51 CO 0.04 0.55 0.88 -0.22 -0.10 0.00 0.00 174.94 176.09 2pph s LEU 52 N 0.13 4.47 -0.46 2.97 0.20 -1.26 -1.13 118.68 123.59 2pph s LEU 52 Ca -0.08 1.65 -0.13 0.00 0.69 0.00 0.00 54.13 56.25 2pph s LEU 52 Cb -0.15 -3.45 0.09 0.00 -0.43 0.00 0.00 46.19 42.25 2pph s LEU 52 CO 0.05 -0.05 0.36 -0.76 -0.29 0.00 0.00 176.35 175.67 2pph s LEU 53 N 0.04 5.55 -0.14 -0.68 1.02 0.00 -4.87 118.68 119.61 2pph s LEU 53 Ca 0.44 -1.49 0.05 0.00 0.02 0.00 0.00 54.13 53.15 2pph s LEU 53 Cb -0.22 -2.11 -0.12 0.00 0.02 0.00 0.00 46.19 43.76 2pph s LEU 53 CO 0.27 -0.64 -0.06 0.29 0.02 0.00 0.00 176.35 176.22 2pph n LYS 54 N 5.10 1.07 -4.63 1.70 4.76 -1.26 -4.31 118.16 120.59 2pph n LYS 54 Ca -0.12 0.05 -0.28 0.00 -2.87 0.00 0.00 58.31 55.09 2pph n LYS 54 Cb 0.43 -1.30 -0.11 0.00 -1.84 0.00 0.00 35.03 32.21 2pph n LYS 54 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2pph s ASN 55 N -5.04 3.87 0.35 4.39 2.47 -1.26 -5.04 114.94 114.68 2pph s ASN 55 Ca -0.14 -1.40 0.03 0.00 0.42 0.00 0.00 52.86 51.77 2pph s ASN 55 Cb 0.04 -0.30 0.64 0.00 -1.45 0.00 0.00 41.25 40.18 2pph s ASN 55 CO 0.40 -0.49 1.96 1.56 -3.72 0.00 0.00 177.10 176.81 2pph h GLN 56 N 1.74 0.70 -0.92 0.43 1.08 -2.00 -2.47 115.11 113.67 2pph h GLN 56 Ca -0.44 -0.08 0.10 0.00 -1.45 0.00 0.00 58.65 56.79 2pph h GLN 56 Cb 1.25 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 28.46 2pph h GLN 56 CO 0.80 0.54 0.56 -0.44 -0.95 0.00 0.00 178.83 179.34 2pph h ASP 57 N 0.71 0.82 -0.21 1.46 3.32 -1.99 0.15 116.42 120.68 2pph h ASP 57 Ca 0.18 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2pph h ASP 57 Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2pph h ASP 57 CO -0.03 0.45 0.06 0.44 -1.72 0.00 0.00 179.24 178.45 2pph h ASP 58 N 0.91 0.30 -0.66 6.45 3.32 -1.81 -1.17 116.42 123.76 2pph h ASP 58 Ca 0.45 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 2pph h ASP 58 Cb 0.40 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2pph h ASP 58 CO -0.25 0.43 0.27 0.25 -1.72 0.00 0.00 179.24 178.21 2pph h LEU 59 N 0.16 0.90 -0.57 1.55 5.85 -1.31 -1.98 115.31 119.92 2pph h LEU 59 Ca 0.07 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2pph h LEU 59 Cb 0.23 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2pph h LEU 59 CO -0.00 0.82 0.24 0.44 -0.34 0.00 0.00 178.44 179.61 2pph h ASP 60 N 0.92 0.77 -0.18 1.25 5.19 -0.61 -2.57 116.42 121.19 2pph h ASP 60 Ca 0.22 -0.16 -0.05 0.00 -0.62 0.00 0.00 57.03 56.42 2pph h ASP 60 Cb 0.20 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2pph h ASP 60 CO -0.02 0.72 -0.03 0.50 -3.12 0.00 0.00 179.24 177.29 2pph h LYS 61 N 0.78 0.48 -0.45 3.56 3.64 -1.01 -2.55 116.57 121.01 2pph h LYS 61 Ca 0.19 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2pph h LYS 61 Cb 0.17 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2pph h LYS 61 CO -0.02 0.53 0.15 0.00 -2.27 0.00 0.00 179.45 177.84 2pph h ALA 62 N 1.52 1.42 -0.40 5.00 0.00 -0.96 -2.66 119.26 123.18 2pph h ALA 62 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2pph h ALA 62 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2pph h ALA 62 CO 0.01 0.43 0.12 0.82 0.00 0.00 0.00 179.25 180.63 2pph h ILE 63 N 0.65 1.22 -0.94 0.00 1.08 -1.27 -2.71 117.51 115.55 2pph h ILE 63 Ca 0.15 -0.74 0.10 0.00 -0.39 0.00 0.00 64.86 63.98 2pph h ILE 63 Cb 0.18 0.94 -0.08 0.00 -3.07 0.00 0.00 36.82 34.79 2pph h ILE 63 CO -0.01 0.26 0.58 0.44 -0.69 0.00 0.00 178.15 178.73 2pph h ASP 64 N 0.51 0.86 -0.39 1.72 5.19 -1.41 -0.08 116.42 122.81 2pph h ASP 64 Ca 0.13 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2pph h ASP 64 Cb 0.28 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 2pph h ASP 64 CO -0.00 0.49 0.15 0.40 -3.12 0.00 0.00 179.24 177.16 2pph h ILE 65 N 0.96 1.20 -0.44 0.35 1.08 -1.32 -0.36 117.51 118.97 2pph h ILE 65 Ca 0.45 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2pph h ILE 65 Cb 0.38 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 2pph h ILE 65 CO -0.24 0.22 0.20 0.25 -0.69 0.00 0.00 178.15 177.89 2pph h LEU 66 N 0.48 0.60 -1.18 1.44 5.85 -1.04 -2.70 115.31 118.77 2pph h LEU 66 Ca 0.13 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2pph h LEU 66 Cb 0.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2pph h LEU 66 CO -0.01 0.58 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.87 2pph h ASP 67 N 0.58 0.51 -0.16 1.25 3.58 -0.89 -2.47 116.42 118.82 2pph h ASP 67 Ca 0.15 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2pph h ASP 67 Cb 0.15 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2pph h ASP 67 CO -0.02 0.60 0.08 -0.09 -2.88 0.00 0.00 179.24 176.93 2pph h ARG 68 N 0.52 0.28 -7.18 0.28 1.12 -0.73 -3.43 114.38 105.23 2pph h ARG 68 Ca 0.11 -0.03 -0.50 0.00 -1.11 0.00 0.00 59.98 58.45 2pph h ARG 68 Cb 0.37 -0.06 0.09 0.00 -0.01 0.00 0.00 29.97 30.36 2pph h ARG 68 CO 0.01 0.23 0.38 0.45 -3.11 0.00 0.00 179.97 177.94 2pph s SER 69 N -6.87 5.37 0.15 -3.80 0.15 -0.93 -4.97 113.70 102.80 2pph s SER 69 Ca -0.06 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.57 2pph s SER 69 Cb 0.17 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2pph s SER 69 CO 0.71 -1.45 1.35 0.77 1.20 0.00 0.00 173.24 175.82 2pph h SER 70 N 0.32 0.34 0.00 5.45 4.64 -1.85 -3.38 113.55 119.06 2pph h SER 70 Ca -0.47 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 2pph h SER 70 Cb 1.24 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2pph h SER 70 CO 0.55 1.08 0.00 -1.54 -0.87 0.00 0.00 176.83 176.06 2pph n SER 71 N -3.67 0.00 -3.02 4.97 3.41 -1.26 -5.01 113.62 109.03 2pph n SER 71 Ca -0.05 0.43 -0.13 0.00 -0.26 0.00 0.00 58.87 58.86 2pph n SER 71 Cb 0.82 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.59 2pph n SER 71 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2pph n MET 72 N -1.10 -2.29 -0.02 4.33 1.56 -1.26 -5.00 117.12 113.34 2pph n MET 72 Ca 0.00 1.96 -0.03 0.00 -0.27 0.00 0.00 57.70 59.36 2pph n MET 72 Cb 0.00 -4.31 -0.02 0.00 2.15 0.00 0.00 33.22 31.04 2pph n MET 72 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 2pph n LYS 73 N 0.07 0.21 -3.66 2.12 0.00 -1.26 -5.09 118.16 110.54 2pph n LYS 73 Ca 0.04 0.02 -0.10 0.00 -0.00 0.00 0.00 58.31 58.27 2pph n LYS 73 Cb 0.43 -1.08 -0.04 0.00 -0.00 0.00 0.00 35.03 34.34 2pph n LYS 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2pph s SER 74 N -4.37 -0.30 -0.17 -5.58 0.15 -1.26 -4.71 113.70 97.46 2pph s SER 74 Ca -0.05 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.08 2pph s SER 74 Cb 0.01 0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 2pph s SER 74 CO 0.10 -0.99 0.38 -0.22 1.20 0.00 0.00 173.24 173.71 2pph s LEU 75 N -2.84 4.22 -0.45 3.45 0.20 -0.27 -4.91 118.68 118.08 2pph s LEU 75 Ca 0.06 0.58 -0.21 0.00 0.69 0.00 0.00 54.13 55.26 2pph s LEU 75 Cb -0.00 -2.50 0.03 0.00 -0.43 0.00 0.00 46.19 43.28 2pph s LEU 75 CO -0.07 0.01 0.65 -0.13 -0.29 0.00 0.00 176.35 176.52 2pph s ARG 76 N 0.83 3.27 -0.07 1.98 0.52 -1.26 -0.71 118.95 123.50 2pph s ARG 76 Ca 0.20 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 2pph s ARG 76 Cb -0.14 -3.96 0.01 0.00 0.52 0.00 0.00 34.95 31.38 2pph s ARG 76 CO 0.07 -1.04 -0.12 0.42 0.02 0.00 0.00 175.30 174.66 2pph s ILE 77 N 2.84 1.13 -0.18 1.52 1.01 -1.07 -3.99 121.20 122.46 2pph s ILE 77 Ca 0.22 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 2pph s ILE 77 Cb -0.14 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 2pph s ILE 77 CO 0.19 0.36 0.09 -0.22 0.00 0.00 0.00 174.94 175.36 2pph s LEU 78 N 0.80 4.02 -0.17 2.97 2.96 0.81 -3.05 118.68 127.02 2pph s LEU 78 Ca -0.12 0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 2pph s LEU 78 Cb -0.15 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2pph s LEU 78 CO 0.02 0.21 0.12 -0.76 -1.32 0.00 0.00 176.35 174.62 2pph s LEU 79 N 0.18 4.20 -0.23 -0.68 1.43 -1.07 -1.07 118.68 121.45 2pph s LEU 79 Ca 0.07 0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 2pph s LEU 79 Cb -0.12 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.10 2pph s LEU 79 CO -0.00 0.25 0.59 -1.48 0.23 0.00 0.00 176.35 175.93 2pph s LEU 80 N -0.06 -0.42 -0.55 1.79 2.34 -0.98 -4.74 118.68 116.06 2pph s LEU 80 Ca 0.10 1.23 -0.27 0.00 0.06 0.00 0.00 54.13 55.25 2pph s LEU 80 Cb -0.11 2.01 -0.03 0.00 -0.56 0.00 0.00 46.19 47.50 2pph s LEU 80 CO 0.00 -0.21 1.94 -0.44 -1.06 0.00 0.00 176.35 176.57 2pph s SER 81 N 0.84 5.23 -0.46 1.48 0.01 -1.26 0.69 113.70 120.24 2pph s SER 81 Ca -0.04 0.59 0.07 0.00 1.31 0.00 0.00 55.95 57.88 2pph s SER 81 Cb -0.05 -2.52 0.28 0.00 0.21 0.00 0.00 66.02 63.93 2pph s SER 81 CO -0.07 -2.36 0.91 1.67 0.41 0.00 0.00 173.24 173.80 2pph n GLN 82 N 9.05 0.87 -2.80 12.44 -0.06 -1.26 -4.92 117.38 130.70 2pph n GLN 82 Ca 0.23 -2.13 -0.03 0.00 -2.00 0.00 0.00 57.00 53.07 2pph n GLN 82 Cb 0.52 -1.31 0.01 0.00 -4.06 0.00 0.00 30.24 25.40 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 -1.56 -1.19 -0.04 1.69 -1.08 -1.26 -4.64 116.67 108.59 2pph s ASP 83 Ca 0.30 -1.28 -0.00 0.00 -0.52 0.00 0.00 52.55 51.05 2pph s ASP 83 Cb 0.25 1.55 -0.03 0.00 -1.46 0.00 0.00 42.92 43.24 2pph s ASP 83 CO -0.15 -0.06 -0.04 0.54 0.52 0.00 0.00 175.17 175.98 2pph n ARG 84 N 3.09 0.10 -4.11 4.34 5.12 -1.26 -4.87 116.66 119.08 2pph n ARG 84 Ca 0.15 0.03 -0.15 0.00 -1.93 0.00 0.00 57.85 55.95 2pph n ARG 84 Cb 0.58 -1.00 -0.05 0.00 -1.16 0.00 0.00 32.46 30.83 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 -4.60 1.00 0.28 0.55 4.22 -1.26 -5.18 114.94 109.95 2pph s ASN 85 Ca -0.06 -1.52 0.07 0.00 -2.14 0.00 0.00 52.86 49.21 2pph s ASN 85 Cb 0.02 0.65 -0.03 0.00 1.28 0.00 0.00 41.25 43.17 2pph s ASN 85 CO 0.09 -1.27 0.28 -0.76 -2.04 0.00 0.00 177.10 173.41 2pph s LEU 86 N -3.25 3.86 0.71 3.54 1.43 -1.26 -5.12 118.68 118.59 2pph s LEU 86 Ca 0.32 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 2pph s LEU 86 Cb -0.00 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.79 2pph s LEU 86 CO 0.21 -0.18 1.08 -1.83 0.23 0.00 0.00 176.35 175.86 2pph s GLU 87 N -3.95 2.80 0.55 1.70 -1.05 -1.26 -5.09 118.70 112.40 2pph s GLU 87 Ca 0.37 0.65 0.08 0.00 -0.15 0.00 0.00 54.97 55.92 2pph s GLU 87 Cb -0.08 -2.00 0.07 0.00 -0.44 0.00 0.00 34.13 31.68 2pph s GLU 87 CO 0.27 -1.12 0.76 -1.01 0.95 0.00 0.00 175.26 175.10 2pph s HIS 88 N -3.21 1.86 0.54 4.83 3.76 -1.26 -5.13 115.29 116.67 2pph s HIS 88 Ca 0.58 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.98 2pph s HIS 88 Cb -0.12 -2.37 0.05 0.00 1.11 0.00 0.00 32.58 31.24 2pph s HIS 88 CO 0.53 -1.01 0.74 -1.01 -0.85 0.00 0.00 174.74 173.14 2pph s HIS 89 N -2.64 2.41 -0.06 1.40 3.76 -1.26 -4.93 115.29 113.97 2pph s HIS 89 Ca 0.60 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 55.17 2pph s HIS 89 Cb -0.07 -2.57 0.02 0.00 1.11 0.00 0.00 32.58 31.07 2pph s HIS 89 CO 0.38 -0.89 0.09 0.72 -0.85 0.00 0.00 174.74 174.19 2pph n HIS 90 N -2.23 -2.48 -0.96 1.40 8.25 -1.26 -4.97 115.22 112.96 2pph n HIS 90 Ca 0.10 1.46 -0.29 0.00 -0.26 0.00 0.00 57.72 58.73 2pph n HIS 90 Cb 0.60 -2.87 0.22 0.00 1.12 0.00 0.00 29.99 29.06 2pph n HIS 90 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2pph s HIS 91 N -0.34 1.17 -1.23 4.41 3.76 -1.26 -4.06 115.29 117.74 2pph s HIS 91 Ca -0.10 0.79 -0.03 0.00 -0.15 0.00 0.00 55.06 55.58 2pph s HIS 91 Cb 0.01 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.43 2pph s HIS 91 CO 0.28 -3.62 0.34 0.72 -0.85 0.00 0.00 174.74 171.61 2pph n HIS 92 N -4.66 -1.29 1.91 1.40 8.25 -1.26 -5.27 115.22 114.30 2pph n HIS 92 Ca 0.08 0.29 0.16 0.00 -0.26 0.00 0.00 57.72 57.99 2pph n HIS 92 Cb 0.58 -3.55 0.88 0.00 1.12 0.00 0.00 29.99 29.01 2pph n HIS 92 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56