#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 0.63 -1.88 1.08 7.64 -1.26 -5.06 113.62 114.76 2pph n SER 2 Ca 0.00 -2.00 -0.00 0.00 1.01 0.00 0.00 58.87 57.88 2pph n SER 2 Cb 0.00 0.57 -0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.00 -6.83 -4.39 6.43 8.00 -1.26 -4.95 116.55 111.55 2pph n ASP 3 Ca -0.01 1.21 -0.37 0.00 0.71 0.00 0.00 54.79 56.33 2pph n ASP 3 Cb 0.28 -3.75 -0.13 0.00 -0.02 0.00 0.00 41.12 37.51 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 -0.39 4.12 -0.56 2.53 1.01 -0.59 -4.94 120.40 121.58 2pph s VAL 4 Ca -0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 2pph s VAL 4 Cb 0.00 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.42 2pph s VAL 4 CO 0.01 0.23 0.91 -0.13 0.00 0.00 0.00 175.10 176.12 2pph s ARG 5 N 1.56 3.29 -0.32 2.72 3.00 -1.26 -1.89 118.95 126.04 2pph s ARG 5 Ca 0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 55.73 55.28 2pph s ARG 5 Cb -0.16 -4.07 -0.03 0.00 0.00 0.00 0.00 34.95 30.69 2pph s ARG 5 CO 0.03 -1.50 0.21 0.42 0.00 0.00 0.00 175.30 174.47 2pph s ILE 6 N 3.84 5.21 -0.30 1.52 1.01 -0.29 -3.39 121.20 128.80 2pph s ILE 6 Ca 0.28 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 2pph s ILE 6 Cb -0.14 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.74 2pph s ILE 6 CO 0.18 0.08 0.08 -0.75 0.00 0.00 0.00 174.94 174.53 2pph s LYS 7 N 1.72 2.97 0.06 2.79 2.20 -1.17 -1.73 119.74 126.58 2pph s LYS 7 Ca 0.06 -0.94 0.08 0.00 -0.36 0.00 0.00 55.97 54.82 2pph s LYS 7 Cb -0.17 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 2pph s LYS 7 CO 0.10 -0.49 -0.21 -0.59 -0.36 0.00 0.00 175.35 173.80 2pph s PHE 8 N 1.47 2.48 0.03 4.03 -0.71 -0.27 -3.07 117.98 121.94 2pph s PHE 8 Ca 0.01 -0.30 0.05 0.00 -1.04 0.00 0.00 56.93 55.66 2pph s PHE 8 Cb -0.18 -1.41 -0.02 0.00 -1.21 0.00 0.00 43.02 40.20 2pph s PHE 8 CO 0.02 0.25 -0.16 -2.00 -1.34 0.00 0.00 175.22 171.99 2pph s GLU 9 N -1.56 1.10 -0.16 1.99 2.12 -0.96 0.33 118.70 121.57 2pph s GLU 9 Ca 0.14 -0.76 -0.04 0.00 0.36 0.00 0.00 54.97 54.67 2pph s GLU 9 Cb -0.10 -1.13 0.07 0.00 0.26 0.00 0.00 34.13 33.23 2pph s GLU 9 CO 0.05 0.29 0.17 -1.58 -0.54 0.00 0.00 175.26 173.65 2pph s HIS 10 N -0.74 -0.13 -1.44 5.30 5.65 0.08 -1.91 115.29 122.10 2pph s HIS 10 Ca 0.04 0.21 -0.10 0.00 0.25 0.00 0.00 55.06 55.46 2pph s HIS 10 Cb -0.08 -0.41 0.03 0.00 -1.18 0.00 0.00 32.58 30.95 2pph s HIS 10 CO 0.01 -0.48 1.04 0.09 -0.65 0.00 0.00 174.74 174.75 2pph n ASN 11 N 5.31 -5.83 0.00 9.88 4.13 -1.26 -1.23 115.26 126.26 2pph n ASN 11 Ca -0.06 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.63 2pph n ASN 11 Cb 0.49 -4.62 0.00 0.00 -1.54 0.00 0.00 39.78 34.12 2pph n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pph n GLY 12 N -1.84 2.33 3.50 7.41 0.00 -1.26 -5.00 105.19 110.34 2pph n GLY 12 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.43 3.26 0.03 1.61 2.12 -0.37 -5.03 118.70 119.90 2pph s GLU 13 Ca 0.00 -0.42 -0.16 0.00 0.36 0.00 0.00 54.97 54.75 2pph s GLU 13 Cb 0.00 -4.11 -0.06 0.00 0.26 0.00 0.00 34.13 30.22 2pph s GLU 13 CO 0.00 -1.63 0.46 -0.98 -0.54 0.00 0.00 175.26 172.57 2pph s ARG 14 N 4.12 4.00 -0.01 4.30 3.03 -1.26 -0.74 118.95 132.38 2pph s ARG 14 Ca 0.28 0.50 0.02 0.00 2.03 0.00 0.00 55.73 58.57 2pph s ARG 14 Cb -0.13 -3.20 -0.00 0.00 -1.03 0.00 0.00 34.95 30.58 2pph s ARG 14 CO 0.16 0.66 -0.06 1.03 -1.13 0.00 0.00 175.30 175.96 2pph s ARG 15 N -1.17 0.59 -0.17 3.89 0.52 0.15 -4.98 118.95 117.79 2pph s ARG 15 Ca 0.26 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.25 2pph s ARG 15 Cb -0.17 -0.57 0.01 0.00 0.52 0.00 0.00 34.95 34.73 2pph s ARG 15 CO 0.16 0.12 -0.17 0.42 0.02 0.00 0.00 175.30 175.85 2pph s ILE 16 N -0.01 2.47 -0.03 1.52 1.01 -1.26 -1.11 121.20 123.79 2pph s ILE 16 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2pph s ILE 16 Cb -0.04 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.40 2pph s ILE 16 CO -0.00 0.52 -0.03 -0.63 0.00 0.00 0.00 174.94 174.80 2pph s ILE 17 N 1.01 0.36 -0.14 2.92 1.01 -0.70 -5.02 121.20 120.64 2pph s ILE 17 Ca -0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 2pph s ILE 17 Cb -0.15 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 2pph s ILE 17 CO -0.04 0.16 0.08 0.00 0.00 0.00 0.00 174.94 175.14 2pph s ALA 18 N 0.64 3.58 -0.11 9.38 0.00 -1.26 -1.14 121.76 132.86 2pph s ALA 18 Ca -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2pph s ALA 18 Cb -0.11 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.17 2pph s ALA 18 CO -0.01 0.45 -0.16 -0.06 0.00 0.00 0.00 175.76 175.98 2pph s PHE 19 N -0.47 2.02 -0.01 0.00 0.08 -0.79 -4.96 117.98 113.84 2pph s PHE 19 Ca 0.11 -0.95 -0.30 0.00 0.12 0.00 0.00 56.93 55.90 2pph s PHE 19 Cb -0.12 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 40.83 2pph s PHE 19 CO 0.02 -0.48 1.37 -1.12 -0.10 0.00 0.00 175.22 174.91 2pph s SER 20 N 0.96 6.88 0.43 1.36 0.01 -1.26 -1.54 113.70 120.54 2pph s SER 20 Ca -0.07 2.06 -0.23 0.00 1.31 0.00 0.00 55.95 59.01 2pph s SER 20 Cb -0.15 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.44 2pph s SER 20 CO -0.01 -0.70 1.10 -0.13 0.41 0.00 0.00 173.24 173.90 2pph s ARG 21 N 2.43 3.98 0.04 12.44 0.52 -1.26 -3.59 118.95 133.51 2pph s ARG 21 Ca 0.62 1.61 -0.30 0.00 -0.52 0.00 0.00 55.73 57.14 2pph s ARG 21 Cb -0.30 -2.46 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 2pph s ARG 21 CO 0.25 -0.32 1.18 -2.14 0.02 0.00 0.00 175.30 174.29 2pph s PRO 22 N -2.62 4.43 -0.16 3.54 0.02 -1.26 -4.87 135.00 134.08 2pph s PRO 22 Ca 0.61 1.73 -0.13 0.00 0.02 0.00 0.00 61.00 63.22 2pph s PRO 22 Cb -0.24 -3.39 -0.05 0.00 0.02 0.00 0.00 34.50 30.84 2pph s PRO 22 CO 0.30 -0.27 0.28 0.54 -0.33 0.00 0.00 177.00 177.51 2pph s VAL 23 N 1.25 5.31 0.07 3.83 0.11 -1.24 -5.08 120.40 124.66 2pph s VAL 23 Ca 0.58 0.51 -0.19 0.00 -2.93 0.00 0.00 61.98 59.95 2pph s VAL 23 Cb -0.28 -3.61 -0.07 0.00 -1.53 0.00 0.00 36.38 30.89 2pph s VAL 23 CO 0.28 0.40 0.56 -0.54 -3.33 0.00 0.00 175.10 172.47 2pph s LYS 24 N 0.38 4.18 0.18 1.54 -0.14 -1.26 -4.99 119.74 119.63 2pph s LYS 24 Ca 0.16 0.71 -0.14 0.00 -1.36 0.00 0.00 55.97 55.35 2pph s LYS 24 Cb -0.13 -3.24 0.09 0.00 -1.68 0.00 0.00 37.83 32.87 2pph s LYS 24 CO 0.03 0.64 1.83 -0.92 -0.76 0.00 0.00 175.35 176.17 2pph h TYR 25 N 4.58 0.63 -0.91 3.18 3.20 -1.98 -2.05 116.97 123.62 2pph h TYR 25 Ca -0.50 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.44 2pph h TYR 25 Cb 1.21 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.22 2pph h TYR 25 CO 0.68 0.37 0.60 0.93 -1.64 0.00 0.00 178.16 179.10 2pph h GLU 26 N 0.67 1.08 -0.38 1.82 5.08 -1.98 0.15 114.58 121.03 2pph h GLU 26 Ca 0.21 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2pph h GLU 26 Cb -0.02 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2pph h GLU 26 CO -0.07 0.72 0.06 0.22 -1.00 0.00 0.00 179.01 178.93 2pph h ASP 27 N 1.11 0.60 -0.04 1.42 3.58 -1.82 0.36 116.42 121.64 2pph h ASP 27 Ca 0.37 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2pph h ASP 27 Cb 0.07 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 2pph h ASP 27 CO -0.12 0.71 -0.02 0.58 -2.88 0.00 0.00 179.24 177.51 2pph h VAL 28 N 0.47 1.32 -0.85 2.25 2.07 -0.83 -2.81 116.25 117.87 2pph h VAL 28 Ca 0.11 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2pph h VAL 28 Cb 0.37 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 2pph h VAL 28 CO 0.01 0.27 0.55 -0.08 0.02 0.00 0.00 177.57 178.34 2pph h GLU 29 N -0.32 1.07 -0.86 1.57 4.81 -0.72 -2.29 114.58 117.85 2pph h GLU 29 Ca 0.01 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2pph h GLU 29 Cb 0.44 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 2pph h GLU 29 CO 0.00 0.71 0.54 1.25 -0.73 0.00 0.00 179.01 180.78 2pph h HIS 30 N 1.10 1.00 -0.15 0.92 2.76 -0.90 -0.24 115.15 119.63 2pph h HIS 30 Ca 0.33 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 2pph h HIS 30 Cb -0.06 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 28.57 2pph h HIS 30 CO -0.02 0.54 0.06 -0.22 -1.30 0.00 0.00 177.93 176.99 2pph h LYS 31 N 1.01 0.23 -0.67 5.26 3.64 -1.15 -0.45 116.57 124.43 2pph h LYS 31 Ca 0.36 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 2pph h LYS 31 Cb 0.11 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2pph h LYS 31 CO -0.15 0.32 0.32 0.28 -2.27 0.00 0.00 179.45 177.95 2pph h VAL 32 N 0.09 1.23 -0.60 2.00 2.07 -1.07 -0.03 116.25 119.94 2pph h VAL 32 Ca 0.05 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2pph h VAL 32 Cb 0.18 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2pph h VAL 32 CO -0.00 0.27 0.05 0.74 0.02 0.00 0.00 177.57 178.64 2pph h THR 33 N 0.94 1.26 -0.15 2.57 2.02 -0.93 -1.90 112.91 116.70 2pph h THR 33 Ca 0.23 -1.06 -0.10 0.00 0.77 0.00 0.00 66.41 66.25 2pph h THR 33 Cb 0.12 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2pph h THR 33 CO -0.03 0.39 -0.29 0.74 0.37 0.00 0.00 175.52 176.70 2pph h THR 34 N 0.94 1.36 0.00 3.16 2.02 -0.79 0.57 112.91 120.18 2pph h THR 34 Ca 0.18 -1.55 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 2pph h THR 34 Cb 0.48 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 2pph h THR 34 CO 0.02 0.46 -0.00 0.58 0.37 0.00 0.00 175.52 176.95 2pph h VAL 35 N 0.09 1.01 0.00 3.16 2.07 -0.96 -2.98 116.25 118.64 2pph h VAL 35 Ca 0.01 -0.04 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 2pph h VAL 35 Cb 0.89 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2pph h VAL 35 CO 0.07 0.01 -0.65 -0.26 0.02 0.00 0.00 177.57 176.75 2pph h PHE 36 N -0.02 0.00 -0.01 1.57 0.04 -1.42 -3.48 116.94 113.62 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 0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 2pph h PHE 36 CO -0.07 0.64 -0.00 0.41 -0.60 0.00 0.00 178.31 178.68 2pph n GLY 37 N 1.26 0.37 3.53 -1.45 0.00 0.19 -5.04 105.19 104.06 2pph n GLY 37 Ca 0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 2pph n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pph s GLN 38 N -3.36 0.77 -0.41 1.61 -2.07 -0.70 -5.00 119.66 110.49 2pph s GLN 38 Ca 0.00 -0.12 -0.29 0.00 -1.82 0.00 0.00 55.36 53.13 2pph s GLN 38 Cb 0.00 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.28 2pph s GLN 38 CO 0.00 -0.30 1.51 -1.25 -1.32 0.00 0.00 175.29 173.93 2pph s PRO 39 N -2.36 3.48 -0.12 9.60 0.04 -1.26 -4.37 135.00 140.00 2pph s PRO 39 Ca 0.02 1.00 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 2pph s PRO 39 Cb -0.01 -4.08 -0.03 0.00 0.04 0.00 0.00 34.50 30.42 2pph s PRO 39 CO -0.04 -1.69 -0.02 -0.51 0.04 0.00 0.00 177.00 174.78 2pph s LEU 40 N 5.90 3.42 0.01 -3.56 1.02 -1.26 -4.05 118.68 120.16 2pph s LEU 40 Ca 0.65 0.01 -0.25 0.00 0.02 0.00 0.00 54.13 54.56 2pph s LEU 40 Cb -0.15 -1.80 -0.05 0.00 0.02 0.00 0.00 46.19 44.20 2pph s LEU 40 CO 0.32 0.27 0.76 -0.62 0.02 0.00 0.00 176.35 177.10 2pph s ASP 41 N -0.24 7.16 -0.46 2.29 -1.08 -0.76 -4.85 116.67 118.73 2pph s ASP 41 Ca 0.05 1.39 -0.20 0.00 -0.52 0.00 0.00 52.55 53.27 2pph s ASP 41 Cb -0.13 -2.46 0.03 0.00 -1.46 0.00 0.00 42.92 38.91 2pph s ASP 41 CO 0.02 -0.04 0.64 -0.76 0.52 0.00 0.00 175.17 175.56 2pph s LEU 42 N 0.24 4.60 -0.27 -1.34 1.02 -1.26 -2.76 118.68 118.91 2pph s LEU 42 Ca 0.39 -0.48 -0.08 0.00 0.02 0.00 0.00 54.13 53.98 2pph s LEU 42 Cb -0.20 -2.65 -0.03 0.00 0.02 0.00 0.00 46.19 43.33 2pph s LEU 42 CO 0.22 -0.82 0.11 -1.00 0.02 0.00 0.00 176.35 174.88 2pph s HIS 43 N 2.81 3.13 -0.13 0.29 3.76 -0.36 -2.26 115.29 122.53 2pph s HIS 43 Ca 0.21 -0.39 -0.19 0.00 -0.15 0.00 0.00 55.06 54.54 2pph s HIS 43 Cb -0.15 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 2pph s HIS 43 CO 0.17 -0.36 0.52 -0.47 -0.85 0.00 0.00 174.74 173.75 2pph s TYR 44 N 1.63 3.49 -0.18 1.40 5.04 0.19 -1.13 117.35 127.80 2pph s TYR 44 Ca 0.06 0.92 -0.00 0.00 -2.44 0.00 0.00 57.07 55.61 2pph s TYR 44 Cb -0.16 -2.61 0.04 0.00 0.35 0.00 0.00 41.96 39.59 2pph s TYR 44 CO 0.05 0.10 -0.05 0.00 -1.34 0.00 0.00 175.55 174.31 2pph s MET 45 N 0.85 1.49 -0.15 4.97 0.23 -1.26 0.32 119.30 125.74 2pph s MET 45 Ca 0.27 -0.59 -0.17 0.00 -1.03 0.00 0.00 55.69 54.17 2pph s MET 45 Cb -0.15 -2.11 -0.14 0.00 -1.53 0.00 0.00 34.83 30.90 2pph s MET 45 CO 0.11 -0.45 0.23 -0.97 -2.03 0.00 0.00 175.02 171.91 2pph h ASN 46 N 8.09 0.00 0.00 -1.18 -0.73 -1.87 -3.48 115.58 116.41 2pph h ASN 46 Ca -0.24 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 57.50 2pph h ASN 46 Cb 1.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.70 2pph h ASN 46 CO 0.41 1.01 0.00 0.59 -0.37 0.00 0.00 177.43 179.06 2pph n ASN 47 N -4.59 -1.63 -0.02 1.15 4.13 -1.26 -4.98 115.26 108.05 2pph n ASN 47 Ca -0.14 0.45 0.02 0.00 1.68 0.00 0.00 54.58 56.58 2pph n ASN 47 Cb 0.40 1.75 -0.09 0.00 -1.54 0.00 0.00 39.78 40.30 2pph n ASN 47 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2pph n GLU 48 N -2.81 1.06 -4.36 3.52 0.28 -1.26 -5.01 120.64 112.06 2pph n GLU 48 Ca 0.00 -0.07 -0.31 0.00 -0.16 0.00 0.00 57.16 56.62 2pph n GLU 48 Cb 0.00 -1.27 -0.10 0.00 1.43 0.00 0.00 31.44 31.50 2pph n GLU 48 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2pph s LEU 49 N -4.16 3.10 -0.08 -1.84 0.20 -1.26 -5.13 118.68 109.51 2pph s LEU 49 Ca -0.05 -0.26 0.05 0.00 0.69 0.00 0.00 54.13 54.56 2pph s LEU 49 Cb 0.06 -1.83 -0.00 0.00 -0.43 0.00 0.00 46.19 43.98 2pph s LEU 49 CO 0.46 0.23 -0.24 -0.44 -0.29 0.00 0.00 176.35 176.07 2pph s SER 50 N -1.79 3.00 -0.09 3.68 0.01 -1.26 -2.66 113.70 114.59 2pph s SER 50 Ca 0.19 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.96 2pph s SER 50 Cb -0.11 -1.09 -0.01 0.00 0.21 0.00 0.00 66.02 65.02 2pph s SER 50 CO 0.11 0.20 -0.17 -0.63 0.41 0.00 0.00 173.24 173.15 2pph s ILE 51 N 0.09 2.70 -0.21 1.44 1.09 0.15 -4.95 121.20 121.52 2pph s ILE 51 Ca -0.11 -0.82 -0.12 0.00 -1.10 0.00 0.00 60.65 58.50 2pph s ILE 51 Cb -0.16 -2.07 -0.05 0.00 -1.06 0.00 0.00 42.46 39.12 2pph s ILE 51 CO 0.06 0.56 0.23 -0.22 -0.10 0.00 0.00 174.94 175.47 2pph s LEU 52 N -0.05 4.16 -0.69 2.97 0.20 -1.26 0.55 118.68 124.56 2pph s LEU 52 Ca -0.04 0.28 -0.26 0.00 0.69 0.00 0.00 54.13 54.80 2pph s LEU 52 Cb -0.14 -2.24 -0.02 0.00 -0.43 0.00 0.00 46.19 43.36 2pph s LEU 52 CO 0.04 0.05 1.82 -0.76 -0.29 0.00 0.00 176.35 177.22 2pph s LEU 53 N 0.93 3.26 -0.15 -0.68 1.43 -0.96 -4.78 118.68 117.73 2pph s LEU 53 Ca 0.12 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2pph s LEU 53 Cb -0.13 -2.54 -0.23 0.00 0.03 0.00 0.00 46.19 43.31 2pph s LEU 53 CO 0.04 -2.38 0.24 0.29 0.23 0.00 0.00 176.35 174.77 2pph n LYS 54 N 9.14 0.71 -2.33 1.70 5.02 -1.26 -4.79 118.16 126.35 2pph n LYS 54 Ca 0.23 0.22 -0.05 0.00 -2.02 0.00 0.00 58.31 56.69 2pph n LYS 54 Cb 0.51 -1.66 -0.00 0.00 -0.02 0.00 0.00 35.03 33.85 2pph n LYS 54 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2pph n ASN 55 N -3.33 -0.64 0.21 4.39 4.13 -1.26 -5.03 115.26 113.72 2pph n ASN 55 Ca -0.34 -1.68 0.07 0.00 1.68 0.00 0.00 54.58 54.31 2pph n ASN 55 Cb 1.04 1.14 0.59 0.00 -1.54 0.00 0.00 39.78 41.01 2pph n ASN 55 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2pph h GLN 56 N 0.00 0.10 -0.31 3.52 5.75 -1.98 -2.73 115.11 119.45 2pph h GLN 56 Ca -0.11 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2pph h GLN 56 Cb 0.46 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.92 2pph h GLN 56 CO 0.15 0.09 -0.10 -0.44 -2.65 0.00 0.00 178.83 175.87 2pph h ASP 57 N 0.11 -0.36 -0.56 -0.69 3.32 -1.99 0.45 116.42 116.70 2pph h ASP 57 Ca 0.03 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2pph h ASP 57 Cb 0.02 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2pph h ASP 57 CO -0.00 -0.13 0.27 0.44 -1.72 0.00 0.00 179.24 178.09 2pph h ASP 58 N -0.04 0.73 -0.54 6.45 5.19 -1.86 -2.22 116.42 124.14 2pph h ASP 58 Ca 0.16 -0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 2pph h ASP 58 Cb 0.27 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 2pph h ASP 58 CO -0.34 0.65 0.10 0.25 -3.12 0.00 0.00 179.24 176.79 2pph h LEU 59 N 0.76 0.88 -0.60 1.55 6.46 -1.32 -2.40 115.31 120.63 2pph h LEU 59 Ca 0.19 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2pph h LEU 59 Cb 0.12 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 2pph h LEU 59 CO -0.02 0.88 0.34 -0.78 -0.62 0.00 0.00 178.44 178.23 2pph h ASP 60 N 0.88 0.74 -0.29 1.25 1.82 0.21 -2.33 116.42 118.71 2pph h ASP 60 Ca 0.18 -0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.68 2pph h ASP 60 Cb 0.37 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 2pph h ASP 60 CO 0.01 0.61 -0.01 0.11 -1.61 0.00 0.00 179.24 178.34 2pph h LYS 61 N 0.81 0.63 -0.42 0.28 1.79 -1.18 -2.60 116.57 115.89 2pph h LYS 61 Ca 0.21 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2pph h LYS 61 Cb 0.03 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2pph h LYS 61 CO -0.04 0.67 0.07 0.00 -1.08 0.00 0.00 179.45 179.07 2pph h ALA 62 N 1.39 1.34 -0.52 3.86 0.00 -0.92 -2.74 119.26 121.66 2pph h ALA 62 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2pph h ALA 62 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2pph h ALA 62 CO 0.02 0.46 0.12 0.82 0.00 0.00 0.00 179.25 180.67 2pph h ILE 63 N 0.61 1.24 -0.99 0.00 2.04 -1.06 -2.77 117.51 116.58 2pph h ILE 63 Ca 0.14 -0.87 0.15 0.00 1.00 0.00 0.00 64.86 65.28 2pph h ILE 63 Cb 0.29 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 2pph h ILE 63 CO 0.00 0.32 0.62 0.44 0.00 0.00 0.00 178.15 179.53 2pph h ASP 64 N 0.72 0.83 -0.56 1.72 5.19 -1.37 -0.11 116.42 122.85 2pph h ASP 64 Ca 0.16 0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.54 2pph h ASP 64 Cb 0.34 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 2pph h ASP 64 CO 0.00 0.38 -0.03 0.40 -3.12 0.00 0.00 179.24 176.88 2pph h ILE 65 N 0.86 1.26 -0.60 0.35 2.04 -1.44 -2.54 117.51 117.45 2pph h ILE 65 Ca 0.52 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2pph h ILE 65 Cb 0.69 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2pph h ILE 65 CO -0.30 0.42 0.27 0.25 0.00 0.00 0.00 178.15 178.79 2pph h LEU 66 N 0.93 0.80 -1.23 1.44 5.85 -0.85 -0.81 115.31 121.45 2pph h LEU 66 Ca 0.16 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2pph h LEU 66 Cb 0.58 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2pph h LEU 66 CO 0.03 0.72 -0.01 0.44 -0.34 0.00 0.00 178.44 179.29 2pph h ASP 67 N 0.82 0.48 0.45 1.25 3.32 -1.17 -2.70 116.42 118.87 2pph h ASP 67 Ca 0.20 -0.09 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 2pph h ASP 67 Cb 0.15 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2pph h ASP 67 CO -0.02 0.56 -0.86 -0.09 -1.72 0.00 0.00 179.24 177.10 2pph h ARG 68 N 0.49 0.30 -6.06 3.56 2.43 -1.10 -3.44 114.38 110.56 2pph h ARG 68 Ca 0.11 -0.30 -0.56 0.00 -0.81 0.00 0.00 59.98 58.41 2pph h ARG 68 Cb 0.34 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 2pph h ARG 68 CO 0.01 0.99 0.14 0.45 -1.51 0.00 0.00 179.97 180.06 2pph s SER 69 N -6.98 7.02 0.03 -3.80 0.15 -0.34 -4.97 113.70 104.81 2pph s SER 69 Ca -0.04 1.23 -0.16 0.00 0.70 0.00 0.00 55.95 57.68 2pph s SER 69 Cb 0.10 -2.43 -0.34 0.00 -1.71 0.00 0.00 66.02 61.64 2pph s SER 69 CO 0.84 -0.15 1.01 -1.28 1.20 0.00 0.00 173.24 174.86 2pph h SER 70 N 6.82 0.83 -0.03 5.45 0.87 -1.85 -3.35 113.55 122.28 2pph h SER 70 Ca -0.40 -0.90 -0.21 0.00 -1.23 0.00 0.00 61.79 59.05 2pph h SER 70 Cb 1.19 -0.27 0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2pph h SER 70 CO 0.76 1.66 -0.81 0.77 -0.53 0.00 0.00 176.83 178.68 2pph h SER 71 N 0.13 0.76 -1.72 6.23 4.64 -1.93 -3.42 113.55 118.23 2pph h SER 71 Ca -0.23 -0.72 -0.48 0.00 -0.47 0.00 0.00 61.79 59.88 2pph h SER 71 Cb 2.06 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 2pph h SER 71 CO 0.26 1.38 1.58 -0.32 -0.87 0.00 0.00 176.83 178.86 2pph s MET 72 N -3.37 2.29 -0.16 4.77 0.00 -1.26 -4.77 119.30 116.81 2pph s MET 72 Ca -0.11 1.38 0.01 0.00 0.00 0.00 0.00 55.69 56.97 2pph s MET 72 Cb 0.06 -4.53 -0.23 0.00 0.00 0.00 0.00 34.83 30.13 2pph s MET 72 CO 0.88 -3.07 0.21 1.63 0.00 0.00 0.00 175.02 174.67 2pph n LYS 73 N 9.00 0.70 -4.67 4.11 4.76 -1.26 -4.82 118.16 125.97 2pph n LYS 73 Ca 0.34 0.21 -0.30 0.00 -2.87 0.00 0.00 58.31 55.68 2pph n LYS 73 Cb 0.53 -1.65 -0.09 0.00 -1.84 0.00 0.00 35.03 31.99 2pph n LYS 73 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2pph s SER 74 N -6.59 3.80 -0.19 4.39 1.04 -1.26 -4.77 113.70 110.12 2pph s SER 74 Ca -0.22 -1.55 -0.09 0.00 0.48 0.00 0.00 55.95 54.57 2pph s SER 74 Cb 0.07 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 2pph s SER 74 CO 0.73 -0.72 0.09 -0.76 0.98 0.00 0.00 173.24 173.57 2pph s LEU 75 N -3.77 4.00 -0.48 2.42 2.01 -1.22 -4.95 118.68 116.68 2pph s LEU 75 Ca 0.18 0.15 -0.24 0.00 0.01 0.00 0.00 54.13 54.23 2pph s LEU 75 Cb 0.05 -2.02 0.03 0.00 0.01 0.00 0.00 46.19 44.26 2pph s LEU 75 CO 0.10 0.17 0.88 -0.13 1.01 0.00 0.00 176.35 178.37 2pph s ARG 76 N 0.39 3.43 -0.07 1.70 0.52 -1.26 -3.07 118.95 120.59 2pph s ARG 76 Ca 0.05 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.23 2pph s ARG 76 Cb -0.12 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.39 2pph s ARG 76 CO -0.01 -1.26 -0.18 0.42 0.02 0.00 0.00 175.30 174.29 2pph s ILE 77 N 3.63 1.55 -0.25 1.52 1.01 -1.17 -4.02 121.20 123.47 2pph s ILE 77 Ca 0.32 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 60.13 2pph s ILE 77 Cb -0.12 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2pph s ILE 77 CO 0.23 0.45 0.13 -0.22 0.00 0.00 0.00 174.94 175.53 2pph s LEU 78 N 0.31 3.86 -0.10 2.97 2.96 -0.29 -2.26 118.68 126.14 2pph s LEU 78 Ca -0.12 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 2pph s LEU 78 Cb -0.15 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.45 2pph s LEU 78 CO 0.05 0.01 0.29 -0.76 -1.32 0.00 0.00 176.35 174.62 2pph s LEU 79 N 1.35 4.36 -0.19 -0.68 1.43 -0.80 -1.22 118.68 122.92 2pph s LEU 79 Ca 0.06 0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 53.67 2pph s LEU 79 Cb -0.15 -2.37 0.06 0.00 0.03 0.00 0.00 46.19 43.76 2pph s LEU 79 CO 0.06 0.26 0.50 -1.48 0.23 0.00 0.00 176.35 175.92 2pph s LEU 80 N -0.44 -0.10 -0.31 1.79 0.05 -1.11 -4.68 118.68 113.88 2pph s LEU 80 Ca 0.19 1.04 -0.28 0.00 0.05 0.00 0.00 54.13 55.12 2pph s LEU 80 Cb -0.14 1.70 -0.06 0.00 -2.05 0.00 0.00 46.19 45.64 2pph s LEU 80 CO 0.07 -0.19 2.27 -1.54 -0.55 0.00 0.00 176.35 176.42 2pph n SER 81 N 3.41 2.88 -3.08 1.48 3.41 -1.26 -1.84 113.62 118.62 2pph n SER 81 Ca -0.17 0.06 -0.26 0.00 -0.26 0.00 0.00 58.87 58.24 2pph n SER 81 Cb 0.56 -1.52 -0.05 0.00 -0.26 0.00 0.00 64.21 62.94 2pph n SER 81 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2pph n GLN 82 N 8.76 2.85 -1.88 4.33 -0.06 -1.26 -4.88 117.38 125.25 2pph n GLN 82 Ca 0.33 -4.68 -0.38 0.00 -2.00 0.00 0.00 57.00 50.27 2pph n GLN 82 Cb 0.44 -2.18 0.03 0.00 -4.06 0.00 0.00 30.24 24.46 2pph n GLN 82 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2pph n ASP 83 N 0.10 7.38 -2.97 1.69 2.03 -1.26 -4.80 116.55 118.72 2pph n ASP 83 Ca 0.30 -3.74 -0.20 0.00 0.52 0.00 0.00 54.79 51.67 2pph n ASP 83 Cb 0.42 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2pph n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2pph n ARG 84 N -0.32 -3.35 -3.91 -0.67 1.74 -1.26 -4.95 116.66 103.94 2pph n ARG 84 Ca 0.53 0.64 -0.09 0.00 -0.77 0.00 0.00 57.85 58.17 2pph n ARG 84 Cb 0.28 -5.36 -0.08 0.00 -1.02 0.00 0.00 32.46 26.28 2pph n ARG 84 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2pph s ASN 85 N -2.49 0.20 -0.16 0.55 2.47 -1.26 -5.17 114.94 109.08 2pph s ASN 85 Ca 0.24 -0.68 -0.08 0.00 0.42 0.00 0.00 52.86 52.76 2pph s ASN 85 Cb -0.12 0.29 0.06 0.00 -1.45 0.00 0.00 41.25 40.03 2pph s ASN 85 CO 0.30 -0.65 0.39 -1.48 -3.72 0.00 0.00 177.10 171.93 2pph s LEU 86 N -2.70 -0.09 -0.77 3.21 0.05 -1.26 -4.85 118.68 112.27 2pph s LEU 86 Ca 0.03 0.85 0.03 0.00 0.05 0.00 0.00 54.13 55.09 2pph s LEU 86 Cb 0.04 1.25 0.23 0.00 -2.05 0.00 0.00 46.19 45.66 2pph s LEU 86 CO -0.09 -0.20 0.77 -0.62 -0.55 0.00 0.00 176.35 175.66 2pph n GLU 87 N 4.41 2.59 -2.78 1.48 4.71 -1.26 -5.00 120.64 124.79 2pph n GLU 87 Ca -0.22 -4.57 -0.43 0.00 -0.01 0.00 0.00 57.16 51.93 2pph n GLU 87 Cb 0.54 -2.33 -0.00 0.00 -1.01 0.00 0.00 31.44 28.64 2pph n GLU 87 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2pph s HIS 88 N -1.99 3.14 0.27 -0.32 3.76 -1.26 -4.89 115.29 114.00 2pph s HIS 88 Ca 0.32 -1.83 -0.09 0.00 -0.15 0.00 0.00 55.06 53.31 2pph s HIS 88 Cb 0.03 -4.52 0.04 0.00 1.11 0.00 0.00 32.58 29.24 2pph s HIS 88 CO -0.07 -1.60 0.51 1.58 -0.85 0.00 0.00 174.74 174.31 2pph n HIS 89 N 6.99 -1.81 -2.84 1.40 -0.00 -1.26 -5.17 115.22 112.53 2pph n HIS 89 Ca 0.41 -1.32 -0.33 0.00 -0.00 0.00 0.00 57.72 56.47 2pph n HIS 89 Cb 0.45 0.59 -0.07 0.00 -0.00 0.00 0.00 29.99 30.96 2pph n HIS 89 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2pph s HIS 90 N -4.22 3.34 -0.00 1.57 3.76 -1.26 -5.08 115.29 113.39 2pph s HIS 90 Ca 0.12 1.60 -0.02 0.00 -0.15 0.00 0.00 55.06 56.61 2pph s HIS 90 Cb -0.03 -2.84 -0.00 0.00 1.11 0.00 0.00 32.58 30.82 2pph s HIS 90 CO 0.09 -0.08 0.04 -3.38 -0.85 0.00 0.00 174.74 170.56 2pph s HIS 91 N -2.14 0.06 -0.22 1.40 -0.00 -1.26 -5.15 115.29 107.99 2pph s HIS 91 Ca 0.61 -0.12 -0.05 0.00 -0.00 0.00 0.00 55.06 55.49 2pph s HIS 91 Cb -0.10 -0.06 -0.02 0.00 -0.00 0.00 0.00 32.58 32.40 2pph s HIS 91 CO 0.14 -0.12 0.01 -1.01 -0.00 0.00 0.00 174.74 173.76 2pph s HIS 92 N -0.68 3.03 0.00 0.38 3.76 -1.26 -5.33 115.29 115.19 2pph s HIS 92 Ca -0.08 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 2pph s HIS 92 Cb -0.05 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.51 2pph s HIS 92 CO -0.00 -0.34 0.00 0.72 -0.85 0.00 0.00 174.74 174.27