#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 4.43 0.15 1.69 0.15 -1.26 -4.99 113.70 113.87 2pph s SER 2 Ca 0.00 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.08 2pph s SER 2 Cb 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2pph s SER 2 CO 0.00 -1.82 0.00 0.47 1.20 0.00 0.00 173.24 173.09 2pph n ASP 3 N -2.73 -5.15 -4.63 5.45 9.92 -1.26 -5.02 116.55 113.12 2pph n ASP 3 Ca 0.16 0.58 -0.34 0.00 -0.53 0.00 0.00 54.79 54.66 2pph n ASP 3 Cb 0.61 -1.78 -0.10 0.00 -0.64 0.00 0.00 41.12 39.20 2pph n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2pph s VAL 4 N -1.22 4.00 -0.38 2.53 1.01 -0.08 -4.87 120.40 121.40 2pph s VAL 4 Ca 0.00 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 2pph s VAL 4 Cb 0.00 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.73 2pph s VAL 4 CO 0.00 0.60 0.53 -0.13 0.00 0.00 0.00 175.10 176.10 2pph s ARG 5 N -0.82 3.49 -0.20 2.72 3.00 -1.26 -1.30 118.95 124.58 2pph s ARG 5 Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 55.73 55.54 2pph s ARG 5 Cb -0.11 -3.86 -0.02 0.00 0.00 0.00 0.00 34.95 30.96 2pph s ARG 5 CO 0.02 -0.75 -0.03 0.42 0.00 0.00 0.00 175.30 174.96 2pph s ILE 6 N 2.46 3.68 -0.27 1.52 1.01 0.18 -2.59 121.20 127.19 2pph s ILE 6 Ca 0.19 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.29 2pph s ILE 6 Cb -0.15 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 2pph s ILE 6 CO 0.15 0.44 0.36 -0.54 0.00 0.00 0.00 174.94 175.35 2pph s LYS 7 N 1.06 4.01 -0.07 2.79 1.02 0.44 -1.15 119.74 127.85 2pph s LYS 7 Ca 0.01 0.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 2pph s LYS 7 Cb -0.15 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 2pph s LYS 7 CO 0.01 -0.28 0.01 -0.06 -0.92 0.00 0.00 175.35 174.12 2pph s PHE 8 N 2.05 3.17 -0.13 3.18 0.08 0.85 -0.70 117.98 126.49 2pph s PHE 8 Ca 0.15 0.19 0.03 0.00 0.12 0.00 0.00 56.93 57.41 2pph s PHE 8 Cb -0.16 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 2pph s PHE 8 CO 0.10 0.49 -0.21 -1.21 -0.10 0.00 0.00 175.22 174.28 2pph s GLU 9 N -1.08 2.90 -0.09 0.44 2.02 0.84 -1.04 118.70 122.69 2pph s GLU 9 Ca 0.15 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 2pph s GLU 9 Cb -0.11 -2.33 0.04 0.00 0.10 0.00 0.00 34.13 31.83 2pph s GLU 9 CO 0.05 0.00 0.09 -1.58 0.02 0.00 0.00 175.26 173.84 2pph s HIS 10 N 0.78 0.05 -1.54 1.61 2.46 -0.38 -0.39 115.29 117.88 2pph s HIS 10 Ca -0.09 0.14 -0.03 0.00 0.47 0.00 0.00 55.06 55.55 2pph s HIS 10 Cb -0.16 -0.51 0.01 0.00 -0.13 0.00 0.00 32.58 31.80 2pph s HIS 10 CO -0.00 -0.31 0.33 0.09 -2.47 0.00 0.00 174.74 172.37 2pph n ASN 11 N 5.30 -5.52 0.00 9.88 3.02 -1.26 -0.87 115.26 125.81 2pph n ASN 11 Ca -0.04 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2pph n ASN 11 Cb 0.50 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 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 -1.24 2.34 3.71 7.41 0.00 -1.26 -5.02 105.19 111.12 2pph n GLY 12 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.44 4.51 -0.15 1.61 2.56 -0.05 -5.04 118.70 121.71 2pph s GLU 13 Ca 0.00 1.49 -0.07 0.00 0.00 0.00 0.00 54.97 56.39 2pph s GLU 13 Cb 0.00 -3.46 -0.04 0.00 2.00 0.00 0.00 34.13 32.63 2pph s GLU 13 CO 0.00 -0.15 0.08 1.03 -0.56 0.00 0.00 175.26 175.67 2pph s ARG 14 N 1.24 3.65 0.01 4.30 0.52 -1.26 -1.25 118.95 126.16 2pph s ARG 14 Ca 0.53 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 2pph s ARG 14 Cb -0.22 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 2pph s ARG 14 CO 0.26 0.52 -0.02 1.03 0.02 0.00 0.00 175.30 177.11 2pph s ARG 15 N -0.31 0.16 -0.19 3.54 0.52 -0.21 -5.00 118.95 117.47 2pph s ARG 15 Ca 0.09 -0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.03 2pph s ARG 15 Cb -0.12 -0.01 0.01 0.00 0.52 0.00 0.00 34.95 35.35 2pph s ARG 15 CO 0.01 -0.01 -0.13 0.42 0.02 0.00 0.00 175.30 175.61 2pph s ILE 16 N -0.58 2.65 -0.04 1.52 1.09 -1.26 -0.10 121.20 124.47 2pph s ILE 16 Ca -0.06 -0.75 0.05 0.00 -1.10 0.00 0.00 60.65 58.80 2pph s ILE 16 Cb -0.04 -2.15 -0.01 0.00 -1.06 0.00 0.00 42.46 39.20 2pph s ILE 16 CO -0.00 0.49 -0.21 -0.63 -0.10 0.00 0.00 174.94 174.49 2pph s ILE 17 N 1.25 1.70 -0.17 2.92 -1.09 -0.30 -4.96 121.20 120.55 2pph s ILE 17 Ca 0.03 -0.88 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 2pph s ILE 17 Cb -0.14 -1.44 -0.05 0.00 -1.58 0.00 0.00 42.46 39.25 2pph s ILE 17 CO -0.07 0.48 0.13 0.00 -1.23 0.00 0.00 174.94 174.25 2pph s ALA 18 N -0.15 3.75 -0.09 9.38 0.00 -1.26 -0.65 121.76 132.74 2pph s ALA 18 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2pph s ALA 18 Cb -0.12 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.95 2pph s ALA 18 CO 0.02 0.35 -0.12 -0.06 0.00 0.00 0.00 175.76 175.95 2pph s PHE 19 N -0.21 1.61 0.35 0.00 0.08 -0.42 -4.92 117.98 114.47 2pph s PHE 19 Ca 0.11 -0.70 -0.14 0.00 0.12 0.00 0.00 56.93 56.31 2pph s PHE 19 Cb -0.11 -1.21 -0.09 0.00 -0.57 0.00 0.00 43.02 41.04 2pph s PHE 19 CO 0.01 -0.40 0.75 0.45 -0.10 0.00 0.00 175.22 175.93 2pph s SER 20 N 1.05 6.73 0.32 1.36 0.15 -1.26 -0.90 113.70 121.15 2pph s SER 20 Ca -0.07 1.27 -0.13 0.00 0.70 0.00 0.00 55.95 57.72 2pph s SER 20 Cb -0.15 -2.37 -0.08 0.00 -1.71 0.00 0.00 66.02 61.71 2pph s SER 20 CO -0.01 -0.25 0.71 -0.13 1.20 0.00 0.00 173.24 174.76 2pph s ARG 21 N -3.17 3.94 -0.03 5.44 3.00 -1.26 -3.51 118.95 123.35 2pph s ARG 21 Ca 0.54 0.58 -0.30 0.00 0.00 0.00 0.00 55.73 56.55 2pph s ARG 21 Cb -0.10 -2.46 -0.03 0.00 0.00 0.00 0.00 34.95 32.36 2pph s ARG 21 CO 0.20 0.15 1.11 -1.25 0.00 0.00 0.00 175.30 175.51 2pph s PRO 22 N -3.10 4.43 -0.13 3.54 0.04 -1.26 -5.03 135.00 133.48 2pph s PRO 22 Ca 0.53 1.58 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 2pph s PRO 22 Cb -0.10 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 2pph s PRO 22 CO 0.20 -0.30 0.43 0.54 0.04 0.00 0.00 177.00 177.91 2pph s VAL 23 N 1.69 5.22 -0.05 -0.36 0.11 -1.23 -5.08 120.40 120.70 2pph s VAL 23 Ca 0.54 0.84 -0.04 0.00 -2.93 0.00 0.00 61.98 60.39 2pph s VAL 23 Cb -0.24 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2pph s VAL 23 CO 0.24 0.34 0.15 -0.54 -3.33 0.00 0.00 175.10 171.96 2pph s LYS 24 N 0.61 3.39 0.10 1.54 3.01 -1.26 -5.03 119.74 122.11 2pph s LYS 24 Ca 0.23 -0.27 -0.25 0.00 -1.01 0.00 0.00 55.97 54.67 2pph s LYS 24 Cb -0.14 -3.10 -0.10 0.00 -1.01 0.00 0.00 37.83 33.47 2pph s LYS 24 CO 0.08 0.71 1.68 -0.92 0.51 0.00 0.00 175.35 177.41 2pph h TYR 25 N 4.31 -0.40 -0.53 3.18 5.03 -1.98 -1.73 116.97 124.85 2pph h TYR 25 Ca -0.51 0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.81 2pph h TYR 25 Cb 1.20 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 39.62 2pph h TYR 25 CO 0.70 -0.23 0.35 1.05 -1.32 0.00 0.00 178.16 178.71 2pph h GLU 26 N -0.31 0.70 -0.45 1.82 -0.00 -1.98 -1.13 114.58 113.23 2pph h GLU 26 Ca 0.02 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.36 59.32 2pph h GLU 26 Cb 0.32 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 28.89 2pph h GLU 26 CO -0.08 0.46 0.22 0.22 -0.00 0.00 0.00 179.01 179.83 2pph h ASP 27 N 0.72 0.59 -0.08 3.06 1.82 -1.82 0.36 116.42 121.07 2pph h ASP 27 Ca 0.19 -0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2pph h ASP 27 Cb -0.08 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 39.77 2pph h ASP 27 CO -0.04 0.55 -0.03 0.58 -1.61 0.00 0.00 179.24 178.69 2pph h VAL 28 N 0.58 1.30 -0.57 2.25 2.07 -0.85 -3.01 116.25 118.02 2pph h VAL 28 Ca 0.15 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2pph h VAL 28 Cb 0.12 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2pph h VAL 28 CO -0.02 0.27 0.21 -0.08 0.02 0.00 0.00 177.57 177.97 2pph h GLU 29 N -0.18 0.84 -0.56 1.57 4.57 -1.14 -2.82 114.58 116.86 2pph h GLU 29 Ca 0.02 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2pph h GLU 29 Cb 0.44 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 2pph h GLU 29 CO 0.01 0.70 0.31 0.45 -1.18 0.00 0.00 179.01 179.30 2pph h HIS 30 N 0.82 0.57 -0.33 0.92 3.86 -0.22 0.37 115.15 121.15 2pph h HIS 30 Ca 0.19 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2pph h HIS 30 Cb 0.19 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 2pph h HIS 30 CO 0.01 0.30 0.19 -0.22 0.86 0.00 0.00 177.93 179.07 2pph h LYS 31 N 0.60 0.45 -0.23 2.45 3.64 -1.37 0.22 116.57 122.33 2pph h LYS 31 Ca 0.24 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2pph h LYS 31 Cb 0.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2pph h LYS 31 CO -0.14 0.36 0.13 0.28 -2.27 0.00 0.00 179.45 177.80 2pph h VAL 32 N 0.42 1.12 -0.57 2.00 2.07 -1.29 0.19 116.25 120.19 2pph h VAL 32 Ca 0.12 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2pph h VAL 32 Cb 0.03 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2pph h VAL 32 CO -0.02 0.11 0.01 0.74 0.02 0.00 0.00 177.57 178.43 2pph h THR 33 N 0.26 1.26 -0.04 2.57 2.02 -0.77 -1.55 112.91 116.66 2pph h THR 33 Ca 0.08 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 2pph h THR 33 Cb 0.07 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2pph h THR 33 CO -0.01 0.39 -0.09 0.74 0.37 0.00 0.00 175.52 176.92 2pph h THR 34 N 0.89 1.43 0.01 3.16 2.02 -0.37 0.52 112.91 120.57 2pph h THR 34 Ca 0.17 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.93 2pph h THR 34 Cb 0.51 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2pph h THR 34 CO 0.02 0.38 -0.00 0.58 0.37 0.00 0.00 175.52 176.88 2pph h VAL 35 N -0.39 1.05 0.00 3.16 2.07 -0.63 -2.95 116.25 118.56 2pph h VAL 35 Ca 0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2pph h VAL 35 Cb 0.67 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2pph h VAL 35 CO 0.02 0.04 -0.09 -0.26 0.02 0.00 0.00 177.57 177.30 2pph h PHE 36 N -0.08 0.00 -2.45 1.57 0.04 -1.38 -3.48 116.94 111.16 2pph h PHE 36 Ca -0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 2pph h PHE 36 Cb 0.07 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.25 2pph h PHE 36 CO -0.05 0.01 -0.32 0.41 -0.60 0.00 0.00 178.31 177.76 2pph n GLY 37 N 1.11 0.02 3.57 -1.45 0.00 0.17 -5.02 105.19 103.60 2pph n GLY 37 Ca 0.04 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.06 0.65 -0.05 1.61 -2.07 -0.73 -5.01 119.66 109.01 2pph s GLN 38 Ca 0.14 0.18 -0.30 0.00 -1.82 0.00 0.00 55.36 53.56 2pph s GLN 38 Cb -0.06 0.31 -0.03 0.00 -1.09 0.00 0.00 33.01 32.14 2pph s GLN 38 CO 0.17 -0.20 1.09 -1.25 -1.32 0.00 0.00 175.29 173.78 2pph s PRO 39 N -1.07 4.43 0.02 9.60 0.04 -1.26 -4.26 135.00 142.49 2pph s PRO 39 Ca -0.03 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.59 2pph s PRO 39 Cb -0.01 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 2pph s PRO 39 CO 0.02 -0.30 -0.09 -0.51 0.04 0.00 0.00 177.00 176.16 2pph s LEU 40 N 1.76 2.13 -0.11 -3.56 1.02 -1.26 -4.15 118.68 114.51 2pph s LEU 40 Ca 0.53 -0.34 -0.19 0.00 0.02 0.00 0.00 54.13 54.15 2pph s LEU 40 Cb -0.22 -0.37 -0.04 0.00 0.02 0.00 0.00 46.19 45.58 2pph s LEU 40 CO 0.23 -0.01 0.50 -1.81 0.02 0.00 0.00 176.35 175.27 2pph s ASP 41 N -0.85 6.72 -0.31 2.29 1.11 0.48 -4.80 116.67 121.31 2pph s ASP 41 Ca -0.01 0.85 -0.28 0.00 0.18 0.00 0.00 52.55 53.29 2pph s ASP 41 Cb -0.06 -2.30 0.01 0.00 1.07 0.00 0.00 42.92 41.64 2pph s ASP 41 CO 0.00 -0.01 1.00 -0.76 1.18 0.00 0.00 175.17 176.59 2pph s LEU 42 N 0.61 3.98 -0.26 1.23 1.02 -1.26 -3.30 118.68 120.70 2pph s LEU 42 Ca 0.27 0.97 -0.10 0.00 0.02 0.00 0.00 54.13 55.29 2pph s LEU 42 Cb -0.15 -3.43 -0.04 0.00 0.02 0.00 0.00 46.19 42.58 2pph s LEU 42 CO 0.11 -0.81 0.14 -1.00 0.02 0.00 0.00 176.35 174.82 2pph s HIS 43 N 3.46 3.19 -0.16 0.29 3.76 -0.64 -1.84 115.29 123.36 2pph s HIS 43 Ca 0.42 -0.03 -0.15 0.00 -0.15 0.00 0.00 55.06 55.15 2pph s HIS 43 Cb -0.13 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 2pph s HIS 43 CO 0.14 -0.17 0.37 -0.47 -0.85 0.00 0.00 174.74 173.76 2pph s TYR 44 N 1.54 3.45 -0.16 1.40 6.14 0.49 -2.01 117.35 128.21 2pph s TYR 44 Ca 0.07 0.67 -0.01 0.00 0.64 0.00 0.00 57.07 58.44 2pph s TYR 44 Cb -0.15 -2.44 0.04 0.00 0.42 0.00 0.00 41.96 39.83 2pph s TYR 44 CO 0.07 0.15 -0.02 0.00 0.64 0.00 0.00 175.55 176.40 2pph s MET 45 N 0.73 1.08 -0.06 4.97 0.23 -1.25 -0.68 119.30 124.33 2pph s MET 45 Ca 0.19 -0.39 -0.04 0.00 -1.03 0.00 0.00 55.69 54.42 2pph s MET 45 Cb -0.14 -1.87 -0.01 0.00 -1.53 0.00 0.00 34.83 31.28 2pph s MET 45 CO 0.07 -0.47 -0.07 -1.71 -2.03 0.00 0.00 175.02 170.80 2pph n ASN 46 N 4.96 0.72 0.00 -1.18 2.85 -1.14 -4.76 115.26 116.71 2pph n ASN 46 Ca -0.10 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 2pph n ASN 46 Cb 0.48 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.85 2pph n ASN 46 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2pph n ASN 47 N -3.20 0.00 -0.00 1.20 4.13 -1.26 -4.98 115.26 111.15 2pph n ASN 47 Ca -0.03 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.27 2pph n ASN 47 Cb 0.11 0.14 -0.06 0.00 -1.54 0.00 0.00 39.78 38.44 2pph n ASN 47 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2pph n GLU 48 N -2.44 1.89 -4.64 3.52 0.00 -1.26 -5.00 120.64 112.71 2pph n GLU 48 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 57.16 56.78 2pph n GLU 48 Cb 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 31.44 30.26 2pph n GLU 48 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2pph s LEU 49 N -3.09 3.14 -0.14 4.31 2.96 -1.26 -5.11 118.68 119.48 2pph s LEU 49 Ca -0.01 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 2pph s LEU 49 Cb 0.06 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 45.08 2pph s LEU 49 CO 0.34 0.36 -0.21 -0.44 -1.32 0.00 0.00 176.35 175.08 2pph s SER 50 N -0.78 3.02 -0.09 3.68 0.01 -1.26 -2.88 113.70 115.39 2pph s SER 50 Ca 0.12 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.82 2pph s SER 50 Cb -0.11 -1.40 -0.02 0.00 0.21 0.00 0.00 66.02 64.71 2pph s SER 50 CO 0.01 0.06 -0.15 -0.63 0.41 0.00 0.00 173.24 172.95 2pph s ILE 51 N 0.88 2.91 -0.13 1.44 1.01 0.14 -4.95 121.20 122.50 2pph s ILE 51 Ca -0.06 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 2pph s ILE 51 Cb -0.15 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2pph s ILE 51 CO -0.03 0.56 0.47 -0.22 0.00 0.00 0.00 174.94 175.72 2pph s LEU 52 N -0.13 4.26 -0.99 2.97 0.20 -1.26 -0.38 118.68 123.36 2pph s LEU 52 Ca -0.02 0.79 -0.22 0.00 0.69 0.00 0.00 54.13 55.37 2pph s LEU 52 Cb -0.14 -2.68 0.07 0.00 -0.43 0.00 0.00 46.19 43.01 2pph s LEU 52 CO 0.04 -0.01 1.36 -0.76 -0.29 0.00 0.00 176.35 176.68 2pph s LEU 53 N 0.73 3.87 -0.15 -0.68 1.43 -0.76 -4.69 118.68 118.42 2pph s LEU 53 Ca 0.25 -1.55 0.08 0.00 -1.03 0.00 0.00 54.13 51.88 2pph s LEU 53 Cb -0.15 -2.53 -0.15 0.00 0.03 0.00 0.00 46.19 43.40 2pph s LEU 53 CO 0.10 -1.41 -0.03 1.17 0.23 0.00 0.00 176.35 176.41 2pph n LYS 54 N 8.33 1.30 -4.39 1.70 4.81 -1.26 -4.55 118.16 124.11 2pph n LYS 54 Ca 0.29 0.03 -0.26 0.00 -0.87 0.00 0.00 58.31 57.51 2pph n LYS 54 Cb 0.50 -1.34 -0.09 0.00 0.02 0.00 0.00 35.03 34.12 2pph n LYS 54 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2pph s ASN 55 N -5.03 4.10 0.26 3.14 3.84 -1.26 -5.04 114.94 114.94 2pph s ASN 55 Ca -0.13 -1.12 -0.02 0.00 0.21 0.00 0.00 52.86 51.80 2pph s ASN 55 Cb 0.05 -0.47 0.32 0.00 -0.55 0.00 0.00 41.25 40.60 2pph s ASN 55 CO 0.49 -0.34 1.75 -0.61 -2.79 0.00 0.00 177.10 175.60 2pph h GLN 56 N 1.75 0.79 -0.87 0.43 -0.00 -2.00 -2.80 115.11 112.41 2pph h GLN 56 Ca -0.43 -0.22 0.11 0.00 -0.00 0.00 0.00 58.65 58.11 2pph h GLN 56 Cb 1.25 -0.09 -0.06 0.00 0.00 0.00 0.00 27.48 28.58 2pph h GLN 56 CO 0.71 0.81 0.56 0.38 0.00 0.00 0.00 178.83 181.29 2pph h ASP 57 N 0.74 0.74 -0.54 -0.69 3.04 -1.98 -0.14 116.42 117.57 2pph h ASP 57 Ca 0.14 0.03 -0.07 0.00 -3.24 0.00 0.00 57.03 53.89 2pph h ASP 57 Cb 0.47 -0.12 -0.02 0.00 -1.04 0.00 0.00 39.33 38.61 2pph h ASP 57 CO 0.02 0.42 0.06 -0.78 -2.04 0.00 0.00 179.24 176.92 2pph h ASP 58 N 0.80 0.89 -0.45 4.15 3.58 -1.87 0.97 116.42 124.49 2pph h ASP 58 Ca 0.42 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 2pph h ASP 58 Cb 0.50 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2pph h ASP 58 CO -0.18 0.94 -0.05 0.25 -2.88 0.00 0.00 179.24 177.32 2pph h LEU 59 N 0.81 0.82 -0.38 2.28 5.85 -1.24 -2.08 115.31 121.36 2pph h LEU 59 Ca 0.16 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 2pph h LEU 59 Cb 0.45 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2pph h LEU 59 CO 0.02 0.96 -0.23 0.44 -0.34 0.00 0.00 178.44 179.28 2pph h ASP 60 N 0.66 0.86 -0.53 1.25 3.32 -0.95 -2.90 116.42 118.12 2pph h ASP 60 Ca 0.12 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2pph h ASP 60 Cb 0.57 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2pph h ASP 60 CO 0.03 1.10 0.25 0.50 -1.72 0.00 0.00 179.24 179.40 2pph h LYS 61 N 0.62 0.81 -0.67 3.56 3.11 -0.75 -2.35 116.57 120.89 2pph h LYS 61 Ca 0.08 -0.11 -0.07 0.00 -2.81 0.00 0.00 60.65 57.74 2pph h LYS 61 Cb 0.80 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.85 2pph h LYS 61 CO 0.07 0.65 0.14 0.00 -2.81 0.00 0.00 179.45 177.49 2pph h ALA 62 N 1.47 0.89 -0.59 5.00 0.00 -1.27 -2.97 119.26 121.79 2pph h ALA 62 Ca 0.20 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2pph h ALA 62 Cb 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2pph h ALA 62 CO -0.02 0.63 0.11 0.82 0.00 0.00 0.00 179.25 180.78 2pph h ILE 63 N 1.02 1.26 -0.71 0.00 2.04 -1.25 -2.34 117.51 117.53 2pph h ILE 63 Ca 0.21 -0.97 0.11 0.00 1.00 0.00 0.00 64.86 65.21 2pph h ILE 63 Cb 0.40 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 2pph h ILE 63 CO 0.01 0.36 0.31 -0.78 0.00 0.00 0.00 178.15 178.05 2pph h ASP 64 N 0.87 0.36 -0.26 1.72 3.58 -1.28 0.46 116.42 121.87 2pph h ASP 64 Ca 0.18 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 2pph h ASP 64 Cb 0.41 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2pph h ASP 64 CO 0.01 0.19 -0.17 0.40 -2.88 0.00 0.00 179.24 176.79 2pph h ILE 65 N 0.51 1.30 -0.52 2.25 2.04 -1.43 -2.49 117.51 119.18 2pph h ILE 65 Ca 0.36 -1.28 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 2pph h ILE 65 Cb 0.46 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2pph h ILE 65 CO -0.32 0.40 0.19 0.25 0.00 0.00 0.00 178.15 178.67 2pph h LEU 66 N 0.30 0.73 -0.93 1.44 5.85 -0.82 -1.88 115.31 119.99 2pph h LEU 66 Ca 0.05 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2pph h LEU 66 Cb 0.69 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2pph h LEU 66 CO 0.05 0.71 0.59 -0.78 -0.34 0.00 0.00 178.44 178.67 2pph h ASP 67 N 0.70 1.10 0.16 1.25 3.58 -0.10 -2.24 116.42 120.88 2pph h ASP 67 Ca 0.17 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 2pph h ASP 67 Cb 0.22 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2pph h ASP 67 CO -0.01 0.82 -0.37 -0.09 -2.88 0.00 0.00 179.24 176.72 2pph h ARG 68 N 1.28 0.29 -5.59 0.28 2.43 -1.21 -3.40 114.38 108.44 2pph h ARG 68 Ca 0.34 -0.12 -0.64 0.00 -0.81 0.00 0.00 59.98 58.75 2pph h ARG 68 Cb -0.09 -0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 29.31 2pph h ARG 68 CO -0.07 0.62 0.33 0.45 -1.51 0.00 0.00 179.97 179.79 2pph s SER 69 N -6.87 6.34 0.33 -3.80 0.15 -0.73 -4.91 113.70 104.21 2pph s SER 69 Ca -0.05 -0.39 0.13 0.00 0.70 0.00 0.00 55.95 56.35 2pph s SER 69 Cb 0.14 -2.37 0.57 0.00 -1.71 0.00 0.00 66.02 62.64 2pph s SER 69 CO 0.77 -1.00 1.71 -1.28 1.20 0.00 0.00 173.24 174.65 2pph h SER 70 N 9.08 0.00 0.82 5.45 0.87 -1.79 -3.31 113.55 124.67 2pph h SER 70 Ca -0.26 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 2pph h SER 70 Cb 1.08 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2pph h SER 70 CO 1.00 0.48 -0.39 0.77 -0.53 0.00 0.00 176.83 178.16 2pph h SER 71 N 0.00 -0.93 -3.14 6.23 4.64 -1.91 -3.40 113.55 115.04 2pph h SER 71 Ca -0.00 0.03 -0.57 0.00 -0.47 0.00 0.00 61.79 60.78 2pph h SER 71 Cb 0.90 0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 63.18 2pph h SER 71 CO 0.06 -0.65 0.95 -0.32 -0.87 0.00 0.00 176.83 176.00 2pph s MET 72 N -5.33 3.97 -0.14 4.77 0.00 -1.25 -4.89 119.30 116.43 2pph s MET 72 Ca -0.16 1.27 0.01 0.00 0.00 0.00 0.00 55.69 56.81 2pph s MET 72 Cb 0.02 -3.85 -0.24 0.00 0.00 0.00 0.00 34.83 30.76 2pph s MET 72 CO 0.48 -1.04 0.28 1.63 0.00 0.00 0.00 175.02 176.37 2pph n LYS 73 N 7.18 0.71 -4.01 4.11 5.02 -1.26 -4.87 118.16 125.03 2pph n LYS 73 Ca 0.14 0.22 -0.23 0.00 -2.02 0.00 0.00 58.31 56.43 2pph n LYS 73 Cb 0.46 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 2pph n LYS 73 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2pph s SER 74 N -6.60 4.76 -0.06 4.39 0.01 -1.26 -4.31 113.70 110.63 2pph s SER 74 Ca -0.20 -0.77 0.04 0.00 1.31 0.00 0.00 55.95 56.33 2pph s SER 74 Cb 0.07 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.57 2pph s SER 74 CO 0.75 -0.37 -0.19 -1.48 0.41 0.00 0.00 173.24 172.36 2pph s LEU 75 N -3.90 2.42 -0.32 2.44 2.34 -1.07 -4.92 118.68 115.67 2pph s LEU 75 Ca 0.40 -0.36 -0.24 0.00 0.06 0.00 0.00 54.13 53.99 2pph s LEU 75 Cb -0.02 -1.48 0.00 0.00 -0.56 0.00 0.00 46.19 44.14 2pph s LEU 75 CO 0.24 0.28 0.81 -0.13 -1.06 0.00 0.00 176.35 176.48 2pph s ARG 76 N -0.34 3.93 -0.07 1.48 0.52 -1.26 -0.42 118.95 122.79 2pph s ARG 76 Ca 0.02 0.57 0.03 0.00 -0.52 0.00 0.00 55.73 55.83 2pph s ARG 76 Cb -0.12 -3.74 0.01 0.00 0.52 0.00 0.00 34.95 31.61 2pph s ARG 76 CO 0.02 -0.73 -0.15 0.42 0.02 0.00 0.00 175.30 174.89 2pph s ILE 77 N 3.03 1.36 -0.22 1.52 -1.09 0.12 -3.84 121.20 122.07 2pph s ILE 77 Ca 0.33 -0.61 -0.09 0.00 -2.23 0.00 0.00 60.65 58.05 2pph s ILE 77 Cb -0.14 -1.22 -0.04 0.00 -1.58 0.00 0.00 42.46 39.48 2pph s ILE 77 CO 0.14 0.40 0.12 -0.76 -1.23 0.00 0.00 174.94 173.60 2pph s LEU 78 N 0.60 3.91 -0.19 2.97 1.02 -0.85 -0.11 118.68 126.03 2pph s LEU 78 Ca -0.15 0.05 -0.12 0.00 0.02 0.00 0.00 54.13 53.93 2pph s LEU 78 Cb -0.16 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 43.97 2pph s LEU 78 CO 0.05 0.08 0.22 -0.76 0.02 0.00 0.00 176.35 175.95 2pph s LEU 79 N 0.94 4.21 -0.14 1.79 1.43 0.48 -1.62 118.68 125.78 2pph s LEU 79 Ca 0.06 0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 2pph s LEU 79 Cb -0.13 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.89 2pph s LEU 79 CO 0.03 0.12 0.35 -1.48 0.23 0.00 0.00 176.35 175.60 2pph s LEU 80 N 0.51 0.41 -0.04 1.79 2.34 -1.21 -4.69 118.68 117.79 2pph s LEU 80 Ca 0.12 0.72 -0.24 0.00 0.06 0.00 0.00 54.13 54.79 2pph s LEU 80 Cb -0.12 1.15 -0.04 0.00 -0.56 0.00 0.00 46.19 46.62 2pph s LEU 80 CO 0.01 -0.15 0.74 -0.94 -1.06 0.00 0.00 176.35 174.95 2pph s SER 81 N 0.72 7.07 -0.54 1.48 1.04 -1.26 -0.38 113.70 121.82 2pph s SER 81 Ca -0.04 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2pph s SER 81 Cb -0.06 -2.44 0.50 0.00 0.10 0.00 0.00 66.02 64.13 2pph s SER 81 CO -0.05 -0.10 1.96 0.00 0.98 0.00 0.00 173.24 176.04 2pph n GLN 82 N 3.56 2.40 -3.07 4.02 0.00 -1.26 -4.67 117.38 118.36 2pph n GLN 82 Ca -0.01 -2.94 -0.05 0.00 0.00 0.00 0.00 57.00 54.00 2pph n GLN 82 Cb 0.51 -2.15 -0.02 0.00 0.00 0.00 0.00 30.24 28.58 2pph n GLN 82 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 2pph s ASP 83 N -1.38 -1.00 0.00 2.61 -4.77 -1.26 -4.99 116.67 105.88 2pph s ASP 83 Ca 0.57 -1.37 0.22 0.00 -3.30 0.00 0.00 52.55 48.67 2pph s ASP 83 Cb 0.46 1.63 1.09 0.00 -1.09 0.00 0.00 42.92 45.01 2pph s ASP 83 CO 0.04 -0.14 1.70 0.54 0.70 0.00 0.00 175.17 178.01 2pph n ARG 84 N 3.76 0.29 -1.89 2.11 3.00 -1.26 -4.62 116.66 118.04 2pph n ARG 84 Ca 0.15 0.08 -0.23 0.00 -0.01 0.00 0.00 57.85 57.84 2pph n ARG 84 Cb 0.55 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.43 2pph n ARG 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2pph s ASN 85 N -2.60 4.45 0.01 0.55 2.20 -1.26 -4.76 114.94 113.53 2pph s ASN 85 Ca 0.20 -1.26 -0.29 0.00 -0.94 0.00 0.00 52.86 50.57 2pph s ASN 85 Cb 0.15 -2.59 0.11 0.00 -2.00 0.00 0.00 41.25 36.92 2pph s ASN 85 CO 0.34 -3.65 1.23 -0.22 -2.94 0.00 0.00 177.10 171.85 2pph s LEU 86 N 13.13 -0.08 0.02 3.54 2.96 -1.26 -5.18 118.68 131.82 2pph s LEU 86 Ca 0.74 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.55 2pph s LEU 86 Cb -0.03 1.52 -0.02 0.00 0.50 0.00 0.00 46.19 48.16 2pph s LEU 86 CO 0.13 -0.41 -0.24 -1.83 -1.32 0.00 0.00 176.35 172.68 2pph s GLU 87 N -2.58 1.74 -0.15 1.98 -1.05 -1.26 -5.03 118.70 112.35 2pph s GLU 87 Ca 0.14 -0.99 0.07 0.00 -0.15 0.00 0.00 54.97 54.04 2pph s GLU 87 Cb 0.04 -1.83 -0.14 0.00 -0.44 0.00 0.00 34.13 31.76 2pph s GLU 87 CO -0.03 0.48 -0.05 1.58 0.95 0.00 0.00 175.26 178.20 2pph n HIS 88 N 2.02 0.00 -2.08 4.83 -0.00 -1.26 -5.12 115.22 113.61 2pph n HIS 88 Ca -0.17 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.12 2pph n HIS 88 Cb 0.52 -0.64 -0.03 0.00 -0.12 0.00 0.00 29.99 29.72 2pph n HIS 88 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2pph n HIS 89 N -2.72 -2.78 -2.59 1.57 -0.00 -1.26 -4.43 115.22 103.01 2pph n HIS 89 Ca -0.25 0.94 -0.41 0.00 0.46 0.00 0.00 57.72 58.46 2pph n HIS 89 Cb 0.87 -1.68 -0.03 0.00 -0.12 0.00 0.00 29.99 29.03 2pph n HIS 89 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2pph s HIS 90 N -1.36 2.51 0.55 1.57 3.76 -1.26 -4.97 115.29 116.09 2pph s HIS 90 Ca 0.00 -0.68 0.05 0.00 -0.15 0.00 0.00 55.06 54.28 2pph s HIS 90 Cb 0.00 -4.65 0.05 0.00 1.11 0.00 0.00 32.58 29.09 2pph s HIS 90 CO 0.00 -1.94 0.42 0.72 -0.85 0.00 0.00 174.74 173.09 2pph n HIS 91 N 8.82 -0.64 -4.17 1.40 8.25 -1.26 -5.14 115.22 122.48 2pph n HIS 91 Ca 0.24 -2.30 -0.34 0.00 -0.26 0.00 0.00 57.72 55.06 2pph n HIS 91 Cb 0.50 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 31.09 2pph n HIS 91 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2pph s HIS 92 N -2.70 3.28 -1.03 4.41 2.46 -1.26 -5.26 115.29 115.18 2pph s HIS 92 Ca 0.32 0.24 0.08 0.00 0.47 0.00 0.00 55.06 56.17 2pph s HIS 92 Cb -0.03 -1.78 0.07 0.00 -0.13 0.00 0.00 32.58 30.71 2pph s HIS 92 CO 0.20 0.55 0.76 0.72 -2.47 0.00 0.00 174.74 174.50