#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pa8 s GLU 2 N 0.00 0.96 0.10 3.17 0.41 -0.39 -4.99 118.70 117.96 2pa8 s GLU 2 Ca 0.00 -0.21 0.05 0.00 -0.41 0.00 0.00 54.97 54.40 2pa8 s GLU 2 Cb 0.00 -0.90 -0.04 0.00 -1.78 0.00 0.00 34.13 31.41 2pa8 s GLU 2 CO 0.00 0.00 -0.01 0.42 -0.49 0.00 0.00 175.26 175.19 2pa8 s ILE 3 N 0.60 3.96 -0.12 -1.63 1.09 -1.26 -0.71 121.20 123.12 2pa8 s ILE 3 Ca -0.09 -1.03 -0.07 0.00 -1.10 0.00 0.00 60.65 58.36 2pa8 s ILE 3 Cb -0.12 -2.89 0.05 0.00 -1.06 0.00 0.00 42.46 38.43 2pa8 s ILE 3 CO 0.01 0.11 0.29 -0.60 -0.10 0.00 0.00 174.94 174.65 2pa8 s ARG 4 N -2.33 0.27 -0.40 2.79 3.52 -0.59 -4.99 118.95 117.22 2pa8 s ARG 4 Ca 0.26 0.56 -0.24 0.00 -0.13 0.00 0.00 55.73 56.17 2pa8 s ARG 4 Cb -0.12 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.25 2pa8 s ARG 4 CO 0.18 -0.14 0.83 0.42 -0.81 0.00 0.00 175.30 175.79 2pa8 s ILE 5 N 1.06 4.64 -0.01 4.11 1.01 -1.26 -0.25 121.20 130.50 2pa8 s ILE 5 Ca -0.07 0.79 0.11 0.00 0.00 0.00 0.00 60.65 61.48 2pa8 s ILE 5 Cb -0.08 -4.30 -0.21 0.00 0.01 0.00 0.00 42.46 37.88 2pa8 s ILE 5 CO -0.08 -0.60 0.86 -0.07 0.00 0.00 0.00 174.94 175.06 2pa8 h LEU 6 N 10.05 0.00 -7.08 2.97 3.38 -1.64 -3.47 115.31 119.52 2pa8 h LEU 6 Ca -0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2pa8 h LEU 6 Cb 1.09 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.60 2pa8 h LEU 6 CO 0.96 0.96 -0.15 -0.75 0.09 0.00 0.00 178.44 179.55 2pa8 s LYS 7 N -2.66 0.55 -0.29 1.13 2.20 -1.16 -4.98 119.74 114.52 2pa8 s LYS 7 Ca -0.03 1.10 -0.02 0.00 -0.36 0.00 0.00 55.97 56.66 2pa8 s LYS 7 Cb 0.09 0.21 0.10 0.00 -1.51 0.00 0.00 37.83 36.72 2pa8 s LYS 7 CO 0.82 -0.17 0.10 0.45 -0.36 0.00 0.00 175.35 176.19 2pa8 s SER 8 N 1.86 3.71 -0.32 1.43 0.15 -1.26 -0.48 113.70 118.79 2pa8 s SER 8 Ca -0.08 -1.41 -0.02 0.00 0.70 0.00 0.00 55.95 55.14 2pa8 s SER 8 Cb -0.08 -0.63 0.11 0.00 -1.71 0.00 0.00 66.02 63.72 2pa8 s SER 8 CO -0.17 -0.41 0.14 -1.61 1.20 0.00 0.00 173.24 172.39 2pa8 s GLU 9 N 1.84 0.51 5.11 5.44 2.02 -0.07 -5.02 118.70 128.54 2pa8 s GLU 9 Ca 0.08 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.11 2pa8 s GLU 9 Cb -0.17 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.52 2pa8 s GLU 9 CO -0.28 -1.05 0.00 0.45 0.02 0.00 0.00 175.26 174.40 2pa8 n SER 10 N 4.77 0.00 0.00 -0.19 2.88 -1.26 -0.85 113.62 118.97 2pa8 n SER 10 Ca -0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.55 2pa8 n SER 10 Cb 0.40 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.96 2pa8 n SER 10 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2pa8 n ASN 11 N 7.59 0.00 -4.28 -3.46 3.02 -1.26 -4.66 115.26 112.20 2pa8 n ASN 11 Ca 0.00 -1.48 -0.30 0.00 -0.03 0.00 0.00 54.58 52.77 2pa8 n ASN 11 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 2pa8 n ASN 11 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pa8 s TYR 12 N -2.00 2.25 -0.09 3.10 5.04 -0.03 -0.47 117.35 125.14 2pa8 s TYR 12 Ca 0.05 -0.47 -0.05 0.00 -2.44 0.00 0.00 57.07 54.15 2pa8 s TYR 12 Cb 0.02 -1.45 0.04 0.00 0.35 0.00 0.00 41.96 40.92 2pa8 s TYR 12 CO 0.04 -0.07 0.21 -1.17 -1.34 0.00 0.00 175.55 173.22 2pa8 s LEU 13 N -0.50 0.75 -0.19 6.97 2.96 -0.05 -0.89 118.68 127.73 2pa8 s LEU 13 Ca 0.07 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 2pa8 s LEU 13 Cb -0.10 0.65 0.03 0.00 0.50 0.00 0.00 46.19 47.27 2pa8 s LEU 13 CO -0.00 -0.13 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.11 2pa8 s GLU 14 N 0.85 2.78 -0.17 1.98 2.02 0.37 -0.34 118.70 126.18 2pa8 s GLU 14 Ca -0.06 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.03 2pa8 s GLU 14 Cb -0.08 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.57 2pa8 s GLU 14 CO -0.05 -0.28 -0.18 -1.17 0.02 0.00 0.00 175.26 173.59 2pa8 s LEU 15 N 1.27 2.26 -0.03 1.80 2.96 -0.11 -1.50 118.68 125.33 2pa8 s LEU 15 Ca 0.02 -0.58 -0.21 0.00 -0.22 0.00 0.00 54.13 53.15 2pa8 s LEU 15 Cb -0.14 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2pa8 s LEU 15 CO -0.11 0.04 0.60 -0.70 -1.32 0.00 0.00 176.35 174.85 2pa8 s GLU 16 N 1.09 4.34 -0.29 1.98 2.12 0.66 -0.29 118.70 128.30 2pa8 s GLU 16 Ca -0.00 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.06 2pa8 s GLU 16 Cb -0.14 -3.37 0.08 0.00 0.26 0.00 0.00 34.13 30.96 2pa8 s GLU 16 CO -0.07 0.28 0.01 0.42 -0.54 0.00 0.00 175.26 175.37 2pa8 s ILE 17 N 0.10 1.80 -0.02 -3.70 1.01 0.53 -1.54 121.20 119.38 2pa8 s ILE 17 Ca 0.31 -1.76 -0.18 0.00 0.00 0.00 0.00 60.65 59.02 2pa8 s ILE 17 Cb -0.18 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 2pa8 s ILE 17 CO 0.16 -0.39 0.52 -0.70 0.00 0.00 0.00 174.94 174.53 2pa8 s GLU 18 N 1.20 4.21 0.00 2.79 2.12 0.11 -2.72 118.70 126.41 2pa8 s GLU 18 Ca 0.03 0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.96 2pa8 s GLU 18 Cb -0.19 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.88 2pa8 s GLU 18 CO -0.10 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 2pa8 n GLY 19 N 2.37 0.59 3.23 -1.50 0.00 -1.26 -1.26 105.19 107.35 2pa8 n GLY 19 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 2pa8 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pa8 s GLU 20 N -0.97 1.00 0.00 1.61 0.41 -1.26 -4.78 118.70 114.72 2pa8 s GLU 20 Ca 0.00 -1.34 0.00 0.00 -0.41 0.00 0.00 54.97 53.22 2pa8 s GLU 20 Cb 0.00 -0.66 0.00 0.00 -1.78 0.00 0.00 34.13 31.69 2pa8 s GLU 20 CO 0.00 0.10 0.00 -0.40 -0.49 0.00 0.00 175.26 174.47 2pa8 n ASP 21 N 0.12 1.60 0.00 -0.19 5.75 -1.26 -3.79 116.55 118.78 2pa8 n ASP 21 Ca -0.13 -0.72 0.01 0.00 -0.01 0.00 0.00 54.79 53.95 2pa8 n ASP 21 Cb 0.59 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.72 2pa8 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pa8 n HIS 22 N 0.00 0.00 0.19 2.11 1.44 -1.26 -1.86 115.22 115.84 2pa8 n HIS 22 Ca 0.00 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.57 2pa8 n HIS 22 Cb 0.00 -0.48 -0.08 0.00 0.12 0.00 0.00 29.99 29.55 2pa8 n HIS 22 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 2pa8 h THR 23 N 0.00 0.68 0.01 0.61 2.02 -1.97 -0.83 112.91 113.42 2pa8 h THR 23 Ca 0.00 -0.29 -0.25 0.00 0.77 0.00 0.00 66.41 66.64 2pa8 h THR 23 Cb 0.03 0.83 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2pa8 h THR 23 CO 0.00 0.06 -1.01 -0.07 0.37 0.00 0.00 175.52 174.87 2pa8 h LEU 24 N -0.62 0.73 -0.55 2.58 -0.00 -1.83 -3.06 115.31 112.55 2pa8 h LEU 24 Ca -0.05 -0.59 0.06 0.00 -0.00 0.00 0.00 57.88 57.30 2pa8 h LEU 24 Cb 0.45 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.83 2pa8 h LEU 24 CO 0.08 1.39 0.26 1.23 -0.00 0.00 0.00 178.44 181.40 2pa8 h GLY 25 N 0.81 0.77 1.04 0.83 0.00 -1.34 0.72 103.07 105.91 2pa8 h GLY 25 Ca -0.11 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 2pa8 h GLY 25 CO 0.19 0.08 -0.05 -0.57 0.00 0.00 0.00 176.54 176.19 2pa8 h ASN 26 N 0.49 0.93 -0.30 0.19 -0.00 -1.22 -1.20 115.58 114.46 2pa8 h ASN 26 Ca 0.25 -0.33 -0.03 0.00 -0.00 0.00 0.00 56.30 56.20 2pa8 h ASN 26 Cb 0.21 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.26 2pa8 h ASN 26 CO -0.20 1.04 0.08 0.25 -0.00 0.00 0.00 177.43 178.60 2pa8 h LEU 27 N 0.80 0.45 -0.06 0.34 5.85 -1.32 -0.65 115.31 120.72 2pa8 h LEU 27 Ca 0.14 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2pa8 h LEU 27 Cb 0.59 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2pa8 h LEU 27 CO 0.04 0.55 0.01 0.40 -0.34 0.00 0.00 178.44 179.10 2pa8 h ILE 28 N 0.32 1.19 -0.57 4.05 2.04 -0.81 -0.90 117.51 122.83 2pa8 h ILE 28 Ca 0.10 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2pa8 h ILE 28 Cb 0.27 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2pa8 h ILE 28 CO -0.00 0.16 0.26 0.00 0.00 0.00 0.00 178.15 178.57 2pa8 h ALA 29 N 0.79 0.74 -0.86 1.87 0.00 -1.23 -0.11 119.26 120.46 2pa8 h ALA 29 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2pa8 h ALA 29 Cb 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2pa8 h ALA 29 CO 0.00 0.31 0.44 0.78 0.00 0.00 0.00 179.25 180.78 2pa8 h GLY 30 N 0.77 1.30 0.99 0.00 0.00 -1.04 -1.14 103.07 103.96 2pa8 h GLY 30 Ca 0.19 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.79 2pa8 h GLY 30 CO -0.02 0.59 -0.23 -0.84 0.00 0.00 0.00 176.54 176.04 2pa8 h THR 31 N 1.21 1.29 -0.59 4.70 2.02 -0.84 -3.18 112.91 117.52 2pa8 h THR 31 Ca 0.30 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 66.12 2pa8 h THR 31 Cb 0.08 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2pa8 h THR 31 CO -0.04 0.45 0.38 -0.07 0.37 0.00 0.00 175.52 176.61 2pa8 h LEU 32 N 0.54 0.66 -2.16 2.58 3.38 -0.67 -2.60 115.31 117.04 2pa8 h LEU 32 Ca 0.07 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2pa8 h LEU 32 Cb 0.79 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2pa8 h LEU 32 CO 0.06 0.47 0.05 0.03 0.09 0.00 0.00 178.44 179.15 2pa8 h ARG 33 N 0.78 0.00 -0.00 1.13 3.08 -1.20 -1.58 114.38 116.60 2pa8 h ARG 33 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2pa8 h ARG 33 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2pa8 h ARG 33 CO -0.06 0.00 -0.12 0.54 -1.07 0.00 0.00 179.97 179.26 2pa8 n ARG 34 N -4.25 0.45 -2.98 0.04 1.74 -0.98 -4.86 116.66 105.82 2pa8 n ARG 34 Ca -0.02 -0.13 -0.40 0.00 -0.77 0.00 0.00 57.85 56.53 2pa8 n ARG 34 Cb 0.15 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.05 2pa8 n ARG 34 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pa8 s ILE 35 N -2.64 4.80 0.04 0.55 1.01 -0.59 -5.01 121.20 119.36 2pa8 s ILE 35 Ca 0.24 1.61 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 2pa8 s ILE 35 Cb 0.20 -4.11 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 2pa8 s ILE 35 CO 0.51 0.33 1.62 -0.94 0.00 0.00 0.00 174.94 176.46 2pa8 s SER 36 N 0.15 6.65 0.00 3.58 1.04 -1.26 -2.02 113.70 121.84 2pa8 s SER 36 Ca 0.39 2.39 0.00 0.00 0.48 0.00 0.00 55.95 59.21 2pa8 s SER 36 Cb -0.20 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2pa8 s SER 36 CO 0.22 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2pa8 n GLY 37 N 3.97 2.41 3.59 7.32 0.00 -1.26 -4.91 105.19 116.30 2pa8 n GLY 37 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2pa8 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pa8 s VAL 38 N -2.19 4.89 -0.00 1.61 1.01 -0.86 -0.40 120.40 124.46 2pa8 s VAL 38 Ca 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 62.78 2pa8 s VAL 38 Cb 0.00 -4.05 -0.28 0.00 0.00 0.00 0.00 36.38 32.04 2pa8 s VAL 38 CO 0.00 -0.22 0.84 0.28 0.00 0.00 0.00 175.10 176.00 2pa8 h SER 39 N 8.26 0.42 -4.03 3.32 0.02 -0.81 -3.47 113.55 117.26 2pa8 h SER 39 Ca -0.26 -0.59 -0.11 0.00 -0.84 0.00 0.00 61.79 59.99 2pa8 h SER 39 Cb 1.11 -0.14 -0.23 0.00 0.14 0.00 0.00 62.40 63.28 2pa8 h SER 39 CO 0.83 1.49 -0.19 0.12 -1.14 0.00 0.00 176.83 177.94 2pa8 s PHE 40 N -2.61 -0.47 -0.18 3.45 5.36 -0.74 -5.01 117.98 117.79 2pa8 s PHE 40 Ca -0.10 1.11 -0.14 0.00 -0.96 0.00 0.00 56.93 56.84 2pa8 s PHE 40 Cb 0.07 0.17 0.05 0.00 -0.34 0.00 0.00 43.02 42.97 2pa8 s PHE 40 CO 0.85 -0.26 0.45 0.00 -1.46 0.00 0.00 175.22 174.80 2pa8 s ALA 41 N 0.04 -1.13 0.36 11.12 0.00 -1.26 -0.61 121.76 130.28 2pa8 s ALA 41 Ca -0.02 1.42 -0.16 0.00 0.00 0.00 0.00 51.96 53.20 2pa8 s ALA 41 Cb -0.03 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.29 2pa8 s ALA 41 CO 0.01 -0.24 0.75 -1.54 0.00 0.00 0.00 175.76 174.74 2pa8 s SER 42 N 0.69 0.02 0.03 0.00 1.04 -0.83 -4.84 113.70 109.82 2pa8 s SER 42 Ca -0.04 -1.06 -0.02 0.00 0.48 0.00 0.00 55.95 55.31 2pa8 s SER 42 Cb -0.05 0.81 -0.02 0.00 0.10 0.00 0.00 66.02 66.86 2pa8 s SER 42 CO -0.05 -1.59 -0.00 -0.72 0.98 0.00 0.00 173.24 171.86 2pa8 s TYR 43 N -2.70 0.32 0.17 5.02 -0.85 -1.26 -0.48 117.35 117.57 2pa8 s TYR 43 Ca 0.16 -0.68 -0.16 0.00 -0.52 0.00 0.00 57.07 55.87 2pa8 s TYR 43 Cb -0.05 -0.24 0.02 0.00 0.38 0.00 0.00 41.96 42.08 2pa8 s TYR 43 CO 0.11 -0.28 0.45 1.52 -1.52 0.00 0.00 175.55 175.83 2pa8 s TYR 44 N -2.41 -0.05 -0.32 -3.49 -0.85 -0.19 -4.95 117.35 105.08 2pa8 s TYR 44 Ca -0.07 -0.29 -0.10 0.00 -0.52 0.00 0.00 57.07 56.09 2pa8 s TYR 44 Cb -0.03 0.29 -0.00 0.00 0.38 0.00 0.00 41.96 42.59 2pa8 s TYR 44 CO -0.04 -0.83 0.17 -0.65 -1.52 0.00 0.00 175.55 172.67 2pa8 s GLN 45 N -3.87 3.27 0.60 -3.49 -0.21 -1.26 -0.94 119.66 113.76 2pa8 s GLN 45 Ca 0.09 -0.77 0.38 0.00 0.02 0.00 0.00 55.36 55.09 2pa8 s GLN 45 Cb 0.00 -3.61 1.84 0.00 1.00 0.00 0.00 33.01 32.25 2pa8 s GLN 45 CO -0.04 -0.46 2.16 -1.00 -2.12 0.00 0.00 175.29 173.83 2pa8 h PRO 46 N 8.37 0.00 -3.02 2.91 0.13 -1.92 -3.32 132.00 135.15 2pa8 h PRO 46 Ca -0.31 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.24 2pa8 h PRO 46 Cb 1.14 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.87 2pa8 h PRO 46 CO 0.62 0.01 -0.78 -1.01 -0.23 0.00 0.00 178.00 176.61 2pa8 s HIS 47 N -3.91 1.32 0.57 1.56 3.76 -1.26 -5.03 115.29 112.30 2pa8 s HIS 47 Ca -0.02 -1.78 0.33 0.00 -0.15 0.00 0.00 55.06 53.44 2pa8 s HIS 47 Cb 0.11 -1.43 1.42 0.00 1.11 0.00 0.00 32.58 33.79 2pa8 s HIS 47 CO 0.49 -0.83 1.71 -1.00 -0.85 0.00 0.00 174.74 174.26 2pa8 h PRO 48 N 7.45 0.00 -0.18 8.40 0.13 -1.95 0.24 132.00 146.09 2pa8 h PRO 48 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2pa8 h PRO 48 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2pa8 h PRO 48 CO 0.41 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.46 2pa8 n LEU 49 N -3.82 1.85 -4.38 1.56 7.99 -1.26 -4.87 117.00 114.07 2pa8 n LEU 49 Ca 0.21 -0.76 -0.29 0.00 -0.01 0.00 0.00 56.01 55.16 2pa8 n LEU 49 Cb 1.19 -0.11 -0.13 0.00 -0.11 0.00 0.00 43.42 44.25 2pa8 n LEU 49 CO 0.33 0.38 -0.57 -0.55 -1.51 0.00 0.00 177.39 175.48 2pa8 s SER 50 N -1.59 3.25 0.23 -1.43 0.15 0.84 -5.06 113.70 110.10 2pa8 s SER 50 Ca 0.33 -0.73 -0.03 0.00 0.70 0.00 0.00 55.95 56.22 2pa8 s SER 50 Cb 0.18 -0.22 0.24 0.00 -1.71 0.00 0.00 66.02 64.51 2pa8 s SER 50 CO 0.27 0.18 1.67 0.44 1.20 0.00 0.00 173.24 177.00 2pa8 h ASP 51 N 3.97 0.76 -0.86 5.45 3.32 -1.88 -3.44 116.42 123.73 2pa8 h ASP 51 Ca -0.50 -0.25 -0.66 0.00 0.02 0.00 0.00 57.03 55.64 2pa8 h ASP 51 Cb 1.17 -0.21 0.05 0.00 0.22 0.00 0.00 39.33 40.56 2pa8 h ASP 51 CO 0.39 0.92 -0.03 1.17 -1.72 0.00 0.00 179.24 179.97 2pa8 n LYS 52 N -4.14 0.00 -4.43 3.56 4.81 -1.25 -4.29 118.16 112.41 2pa8 n LYS 52 Ca 0.01 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.23 2pa8 n LYS 52 Cb 0.39 -1.22 -0.10 0.00 0.02 0.00 0.00 35.03 34.12 2pa8 n LYS 52 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2pa8 s ILE 53 N -0.15 1.98 -0.06 3.15 -4.36 -1.10 -4.16 121.20 116.50 2pa8 s ILE 53 Ca 0.75 -2.24 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 2pa8 s ILE 53 Cb -1.05 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 40.35 2pa8 s ILE 53 CO 0.49 -0.39 -0.10 -0.63 0.24 0.00 0.00 174.94 174.54 2pa8 s ILE 54 N -2.81 0.98 -0.19 8.37 1.01 -0.11 -0.35 121.20 128.10 2pa8 s ILE 54 Ca 0.28 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 2pa8 s ILE 54 Cb 0.00 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2pa8 s ILE 54 CO 0.12 0.32 0.06 -0.69 0.00 0.00 0.00 174.94 174.75 2pa8 s VAL 55 N 0.65 4.74 -0.16 2.92 1.01 0.60 -1.02 120.40 129.14 2pa8 s VAL 55 Ca -0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 2pa8 s VAL 55 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2pa8 s VAL 55 CO 0.03 0.44 0.07 -0.54 0.00 0.00 0.00 175.10 175.10 2pa8 s LYS 56 N 0.53 3.74 -0.06 2.72 1.02 0.36 -0.94 119.74 127.11 2pa8 s LYS 56 Ca 0.03 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.71 2pa8 s LYS 56 Cb -0.13 -3.15 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2pa8 s LYS 56 CO 0.01 0.43 -0.04 0.42 -0.92 0.00 0.00 175.35 175.25 2pa8 s ILE 57 N -0.06 0.59 -0.15 2.17 1.01 0.53 -1.96 121.20 123.33 2pa8 s ILE 57 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2pa8 s ILE 57 Cb -0.12 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.73 2pa8 s ILE 57 CO 0.01 0.27 -0.11 -0.22 0.00 0.00 0.00 174.94 174.89 2pa8 s LEU 58 N 1.36 1.68 0.43 2.97 2.96 0.22 -0.87 118.68 127.43 2pa8 s LEU 58 Ca -0.04 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.41 2pa8 s LEU 58 Cb -0.13 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.47 2pa8 s LEU 58 CO -0.03 -0.10 0.49 0.42 -1.32 0.00 0.00 176.35 175.81 2pa8 s THR 59 N 1.54 2.74 -2.13 3.68 -4.23 0.38 -0.15 115.64 117.46 2pa8 s THR 59 Ca 0.03 -1.18 0.19 0.00 -1.18 0.00 0.00 61.69 59.56 2pa8 s THR 59 Cb -0.14 -2.92 0.48 0.00 1.34 0.00 0.00 72.50 71.27 2pa8 s THR 59 CO -0.09 0.00 1.43 -0.90 -0.54 0.00 0.00 174.62 174.52 2pa8 n ASP 60 N -1.73 2.95 0.00 3.99 3.85 0.47 -4.67 116.55 121.41 2pa8 n ASP 60 Ca 0.06 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 2pa8 n ASP 60 Cb 0.61 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 2pa8 n ASP 60 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pa8 n GLY 61 N 1.39 2.24 0.01 6.12 0.00 -1.26 -4.89 105.19 108.79 2pa8 n GLY 61 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2pa8 n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pa8 n SER 62 N 0.00 0.04 -3.68 1.61 3.41 -1.26 -4.76 113.62 108.98 2pa8 n SER 62 Ca 0.00 0.51 -0.14 0.00 -0.26 0.00 0.00 58.87 58.97 2pa8 n SER 62 Cb 0.00 -0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 2pa8 n SER 62 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2pa8 s ILE 63 N -3.01 0.01 0.55 -1.33 2.07 -1.26 -5.06 121.20 113.17 2pa8 s ILE 63 Ca 0.12 -0.09 -0.16 0.00 -1.41 0.00 0.00 60.65 59.11 2pa8 s ILE 63 Cb 0.16 -0.75 -0.06 0.00 0.13 0.00 0.00 42.46 41.94 2pa8 s ILE 63 CO 0.46 -0.05 1.01 0.42 -1.91 0.00 0.00 174.94 174.87 2pa8 s THR 64 N -0.27 4.33 0.35 4.00 -4.23 -1.26 -4.65 115.64 113.91 2pa8 s THR 64 Ca -0.04 1.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.59 2pa8 s THR 64 Cb -0.03 -3.63 0.29 0.00 1.34 0.00 0.00 72.50 70.46 2pa8 s THR 64 CO 0.03 -0.68 1.96 -0.65 -0.54 0.00 0.00 174.62 174.74 2pa8 h PRO 65 N 0.65 0.79 -0.28 3.99 0.11 -1.83 -0.92 132.00 134.51 2pa8 h PRO 65 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2pa8 h PRO 65 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2pa8 h PRO 65 CO 0.60 0.52 0.05 -0.22 -0.21 0.00 0.00 178.00 178.75 2pa8 h LYS 66 N 0.82 0.45 0.00 1.05 3.64 -1.96 -1.44 116.57 119.13 2pa8 h LYS 66 Ca 0.31 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2pa8 h LYS 66 Cb 0.19 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2pa8 h LYS 66 CO -0.10 0.56 -0.31 -0.44 -2.27 0.00 0.00 179.45 176.89 2pa8 h ASP 67 N 0.27 0.00 -0.38 4.20 3.32 -1.82 -0.26 116.42 121.75 2pa8 h ASP 67 Ca 0.08 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2pa8 h ASP 67 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2pa8 h ASP 67 CO 0.00 0.31 -0.02 0.00 -1.72 0.00 0.00 179.24 177.81 2pa8 h ALA 68 N 1.69 0.51 -0.63 3.45 0.00 -0.86 -0.94 119.26 122.49 2pa8 h ALA 68 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2pa8 h ALA 68 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2pa8 h ALA 68 CO 0.04 0.30 0.04 1.25 0.00 0.00 0.00 179.25 180.88 2pa8 h LEU 69 N 0.49 1.04 -1.14 0.00 6.46 -0.67 0.74 115.31 122.24 2pa8 h LEU 69 Ca 0.10 -0.28 -0.06 0.00 -0.12 0.00 0.00 57.88 57.53 2pa8 h LEU 69 Cb 0.50 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 2pa8 h LEU 69 CO 0.02 1.07 0.00 -0.07 -0.62 0.00 0.00 178.44 178.85 2pa8 h LEU 70 N 0.99 0.56 -0.28 2.25 4.07 -0.89 0.12 115.31 122.13 2pa8 h LEU 70 Ca 0.18 -0.11 -0.19 0.00 0.08 0.00 0.00 57.88 57.84 2pa8 h LEU 70 Cb 0.51 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.11 2pa8 h LEU 70 CO 0.02 0.63 -0.56 0.50 -1.08 0.00 0.00 178.44 177.95 2pa8 h LYS 71 N 0.57 0.88 -0.85 1.13 1.63 -0.63 -1.77 116.57 117.54 2pa8 h LYS 71 Ca 0.12 -0.57 -0.03 0.00 -0.85 0.00 0.00 60.65 59.32 2pa8 h LYS 71 Cb 0.36 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.02 2pa8 h LYS 71 CO 0.01 1.20 0.41 0.00 -3.45 0.00 0.00 179.45 177.63 2pa8 h ALA 72 N 0.67 1.09 -0.35 5.00 0.00 -0.36 0.25 119.26 125.57 2pa8 h ALA 72 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2pa8 h ALA 72 Cb 1.18 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2pa8 h ALA 72 CO 0.13 0.65 0.18 0.82 0.00 0.00 0.00 179.25 181.03 2pa8 h ILE 73 N 1.21 1.15 -0.78 0.00 1.08 -0.86 -0.59 117.51 118.71 2pa8 h ILE 73 Ca 0.29 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2pa8 h ILE 73 Cb 0.11 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 2pa8 h ILE 73 CO -0.04 0.15 0.44 -0.33 -0.69 0.00 0.00 178.15 177.68 2pa8 h GLU 74 N 0.43 1.09 -0.43 2.37 4.39 -0.81 0.20 114.58 121.82 2pa8 h GLU 74 Ca 0.12 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2pa8 h GLU 74 Cb 0.08 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2pa8 h GLU 74 CO -0.02 0.80 0.10 -0.91 -1.16 0.00 0.00 179.01 177.82 2pa8 h ASN 75 N 1.08 0.66 -0.72 1.42 2.35 -0.63 -1.23 115.58 118.51 2pa8 h ASN 75 Ca 0.28 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 2pa8 h ASN 75 Cb 0.02 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 2pa8 h ASN 75 CO -0.05 0.72 0.27 0.40 -1.65 0.00 0.00 177.43 177.13 2pa8 h ILE 76 N 0.56 1.25 -0.42 2.81 2.04 -0.83 -0.33 117.51 122.59 2pa8 h ILE 76 Ca 0.13 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 2pa8 h ILE 76 Cb 0.33 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 2pa8 h ILE 76 CO 0.00 0.33 0.22 -0.09 0.00 0.00 0.00 178.15 178.61 2pa8 h ARG 77 N 1.05 0.60 -0.49 2.37 2.43 -0.73 0.64 114.38 120.24 2pa8 h ARG 77 Ca 0.24 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 2pa8 h ARG 77 Cb 0.24 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2pa8 h ARG 77 CO -0.02 0.49 -0.22 0.78 -1.51 0.00 0.00 179.97 179.50 2pa8 h GLY 78 N 0.55 1.09 0.96 2.80 0.00 -1.02 -0.76 103.07 106.69 2pa8 h GLY 78 Ca 0.15 -0.97 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 2pa8 h GLY 78 CO -0.02 0.88 0.19 1.98 0.00 0.00 0.00 176.54 179.56 2pa8 h MET 79 N 0.86 0.47 -0.22 4.80 1.85 -0.85 -0.62 114.93 121.22 2pa8 h MET 79 Ca 0.11 -0.05 -0.12 0.00 -0.61 0.00 0.00 59.70 59.03 2pa8 h MET 79 Cb 0.80 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.73 2pa8 h MET 79 CO 0.07 0.39 -0.38 1.15 -0.40 0.00 0.00 176.91 177.74 2pa8 h THR 80 N 0.42 1.30 -0.56 -0.77 2.02 -0.78 -1.65 112.91 112.89 2pa8 h THR 80 Ca 0.12 -1.51 -0.08 0.00 0.77 0.00 0.00 66.41 65.71 2pa8 h THR 80 Cb 0.05 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2pa8 h THR 80 CO -0.02 0.47 0.04 0.28 0.37 0.00 0.00 175.52 176.66 2pa8 h SER 81 N 0.41 0.94 -0.54 4.18 0.02 -0.80 -1.08 113.55 116.67 2pa8 h SER 81 Ca 0.04 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 2pa8 h SER 81 Cb 0.85 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2pa8 h SER 81 CO 0.07 0.99 0.09 0.45 -1.14 0.00 0.00 176.83 177.29 2pa8 h HIS 82 N 0.85 0.96 -0.25 3.45 3.86 -0.93 -1.83 115.15 121.26 2pa8 h HIS 82 Ca 0.16 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2pa8 h HIS 82 Cb 0.49 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 2pa8 h HIS 82 CO 0.04 0.85 0.08 -0.92 0.86 0.00 0.00 177.93 178.84 2pa8 h TYR 83 N 0.79 0.15 -0.57 2.45 3.20 -1.05 0.61 116.97 122.56 2pa8 h TYR 83 Ca 0.16 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2pa8 h TYR 83 Cb 0.41 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2pa8 h TYR 83 CO 0.03 0.07 0.35 0.82 -1.64 0.00 0.00 178.16 177.79 2pa8 h ILE 84 N 0.20 1.16 -0.64 1.81 2.04 -1.03 -1.38 117.51 119.67 2pa8 h ILE 84 Ca 0.11 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2pa8 h ILE 84 Cb 0.08 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2pa8 h ILE 84 CO -0.11 0.16 0.11 0.44 0.00 0.00 0.00 178.15 178.75 2pa8 h ASP 85 N 0.76 0.99 -0.50 1.72 3.32 -0.89 -2.17 116.42 119.65 2pa8 h ASP 85 Ca 0.20 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 2pa8 h ASP 85 Cb -0.04 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2pa8 h ASP 85 CO -0.04 0.98 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.12 2pa8 h GLU 86 N 0.98 0.90 -0.73 3.56 5.08 -0.50 -1.79 114.58 122.08 2pa8 h GLU 86 Ca 0.20 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2pa8 h GLU 86 Cb 0.41 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2pa8 h GLU 86 CO 0.01 0.94 0.23 0.82 -1.00 0.00 0.00 179.01 180.00 2pa8 h ILE 87 N 0.76 1.26 -0.61 3.13 2.04 -1.14 -1.85 117.51 121.10 2pa8 h ILE 87 Ca 0.14 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 2pa8 h ILE 87 Cb 0.54 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2pa8 h ILE 87 CO 0.03 0.35 0.33 0.11 0.00 0.00 0.00 178.15 178.98 2pa8 h LYS 88 N 1.08 0.86 0.00 2.37 1.57 -1.22 -1.73 116.57 119.50 2pa8 h LYS 88 Ca 0.24 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2pa8 h LYS 88 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2pa8 h LYS 88 CO -0.01 0.65 -0.21 0.78 -0.57 0.00 0.00 179.45 180.09 2pa8 h GLY 89 N 0.83 0.00 1.74 3.86 0.00 -0.96 0.11 103.07 108.66 2pa8 h GLY 89 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.36 2pa8 h GLY 89 CO -0.03 0.00 -0.98 1.41 0.00 0.00 0.00 176.54 176.93 2pa8 h LEU 90 N 0.00 0.00 -1.92 3.11 4.07 -0.91 -3.38 115.31 116.28 2pa8 h LEU 90 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2pa8 h LEU 90 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 2pa8 h LEU 90 CO 0.03 0.79 0.00 0.35 -1.08 0.00 0.00 178.44 178.52 2pa8 n THR 91 N -3.21 0.49 -0.41 0.22 -2.24 -0.69 -5.10 114.28 103.34 2pa8 n THR 91 Ca -0.03 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2pa8 n THR 91 Cb 0.88 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 2pa8 n THR 91 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79