#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2inc s PHE 4 N 0.00 -0.74 0.02 -1.42 5.36 0.46 -4.82 117.98 116.85 2inc s PHE 4 Ca 0.00 1.46 -0.28 0.00 -0.96 0.00 0.00 56.93 57.15 2inc s PHE 4 Cb 0.00 0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.93 2inc s PHE 4 CO 0.00 -0.44 0.89 -1.25 -1.46 0.00 0.00 175.22 172.96 2inc s PRO 5 N 2.23 4.56 0.27 10.12 0.04 -1.26 -0.61 135.00 150.35 2inc s PRO 5 Ca -0.04 1.28 0.05 0.00 0.04 0.00 0.00 61.00 62.33 2inc s PRO 5 Cb -0.11 -3.42 -0.06 0.00 0.04 0.00 0.00 34.50 30.95 2inc s PRO 5 CO -0.13 0.09 -0.02 0.96 0.04 0.00 0.00 177.00 177.94 2inc s ILE 6 N 0.56 1.37 -0.22 0.56 -5.25 -0.81 -0.19 121.20 117.22 2inc s ILE 6 Ca 0.46 -2.07 -0.05 0.00 -0.99 0.00 0.00 60.65 58.00 2inc s ILE 6 Cb -0.21 -2.48 -0.02 0.00 2.95 0.00 0.00 42.46 42.70 2inc s ILE 6 CO 0.26 -0.25 0.01 -0.04 -1.79 0.00 0.00 174.94 173.13 2inc s MET 7 N -3.80 3.56 -0.30 0.37 -1.94 -0.37 -0.65 119.30 116.17 2inc s MET 7 Ca 0.30 -0.54 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 2inc s MET 7 Cb 0.05 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 2inc s MET 7 CO 0.12 -0.11 0.21 0.45 -0.01 0.00 0.00 175.02 175.68 2inc s SER 8 N 1.34 6.04 -0.69 3.03 0.15 0.18 -0.47 113.70 123.28 2inc s SER 8 Ca 0.04 -0.16 -0.09 0.00 0.70 0.00 0.00 55.95 56.45 2inc s SER 8 Cb -0.15 -2.13 0.18 0.00 -1.71 0.00 0.00 66.02 62.21 2inc s SER 8 CO 0.01 -0.12 0.57 0.21 1.20 0.00 0.00 173.24 175.10 2inc s ASN 9 N 1.74 5.95 0.06 5.45 2.47 -0.26 -1.25 114.94 129.11 2inc s ASN 9 Ca 0.07 -2.65 -0.24 0.00 0.42 0.00 0.00 52.86 50.47 2inc s ASN 9 Cb -0.17 -2.03 -0.06 0.00 -1.45 0.00 0.00 41.25 37.55 2inc s ASN 9 CO 0.11 -0.51 0.72 0.12 -3.72 0.00 0.00 177.10 173.82 2inc s PHE 10 N 0.25 3.76 0.29 0.43 5.36 -1.26 -1.47 117.98 125.34 2inc s PHE 10 Ca 0.16 1.43 -0.30 0.00 -0.96 0.00 0.00 56.93 57.26 2inc s PHE 10 Cb -0.17 -2.75 -0.11 0.00 -0.34 0.00 0.00 43.02 39.65 2inc s PHE 10 CO -0.05 0.35 1.58 -2.00 -1.46 0.00 0.00 175.22 173.63 2inc s GLU 11 N -0.32 4.13 0.00 10.12 2.12 0.11 -1.63 118.70 133.23 2inc s GLU 11 Ca 0.36 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.24 2inc s GLU 11 Cb -0.20 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2inc s GLU 11 CO 0.22 -0.61 0.00 0.54 -0.54 0.00 0.00 175.26 174.87 2inc n ARG 12 N 2.12 0.00 -1.23 4.30 1.74 -1.26 -4.99 116.66 117.34 2inc n ARG 12 Ca 0.08 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.86 2inc n ARG 12 Cb 0.38 -2.39 0.20 0.00 -1.02 0.00 0.00 32.46 29.63 2inc n ARG 12 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2inc s ASP 13 N -3.29 2.00 0.00 0.55 -1.08 -0.65 -4.88 116.67 109.32 2inc s ASP 13 Ca 0.00 0.84 0.08 0.00 -0.52 0.00 0.00 52.55 52.95 2inc s ASP 13 Cb 0.00 -1.27 -0.02 0.00 -1.46 0.00 0.00 42.92 40.17 2inc s ASP 13 CO 0.00 -3.48 0.49 2.22 0.52 0.00 0.00 175.17 174.92 2inc n PHE 14 N -4.36 0.00 -3.88 -5.34 1.16 -1.26 -4.92 117.46 98.86 2inc n PHE 14 Ca 0.09 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.56 2inc n PHE 14 Cb 0.59 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.33 2inc n PHE 14 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2inc s VAL 15 N -1.31 0.02 0.15 1.97 0.11 -1.26 -5.14 120.40 114.94 2inc s VAL 15 Ca 0.05 -0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 58.67 2inc s VAL 15 Cb 0.06 -0.13 -0.08 0.00 -1.53 0.00 0.00 36.38 34.71 2inc s VAL 15 CO 0.23 -0.11 0.74 -0.63 -3.33 0.00 0.00 175.10 172.00 2inc s ILE 16 N -0.31 4.44 0.08 7.04 1.01 -1.26 -4.54 121.20 127.66 2inc s ILE 16 Ca -0.04 1.62 0.04 0.00 0.00 0.00 0.00 60.65 62.27 2inc s ILE 16 Cb -0.02 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2inc s ILE 16 CO -0.00 0.53 -0.11 -1.10 0.00 0.00 0.00 174.94 174.26 2inc s GLN 17 N -1.13 0.78 -0.06 2.79 -0.21 -0.38 -4.92 119.66 116.53 2inc s GLN 17 Ca 0.34 -1.03 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 2inc s GLN 17 Cb -0.22 -0.57 -0.02 0.00 1.00 0.00 0.00 33.01 33.19 2inc s GLN 17 CO 0.25 0.10 0.92 -1.17 -2.12 0.00 0.00 175.29 173.28 2inc s LEU 18 N -2.10 4.30 -0.18 2.90 2.96 -1.26 0.47 118.68 125.77 2inc s LEU 18 Ca 0.01 1.49 -0.03 0.00 -0.22 0.00 0.00 54.13 55.37 2inc s LEU 18 Cb -0.06 -3.44 0.06 0.00 0.50 0.00 0.00 46.19 43.24 2inc s LEU 18 CO 0.01 -0.31 0.05 -0.69 -1.32 0.00 0.00 176.35 174.09 2inc s VAL 19 N 1.40 0.37 0.19 1.68 1.01 0.17 -4.93 120.40 120.29 2inc s VAL 19 Ca 0.47 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2inc s VAL 19 Cb -0.19 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 2inc s VAL 19 CO 0.22 -0.20 1.29 -2.16 0.00 0.00 0.00 175.10 174.25 2inc s PRO 20 N 1.93 4.40 0.48 2.72 0.04 -1.26 -1.92 135.00 141.39 2inc s PRO 20 Ca 0.00 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2inc s PRO 20 Cb -0.17 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2inc s PRO 20 CO -0.08 -0.24 0.05 0.14 0.04 0.00 0.00 177.00 176.91 2inc s VAL 21 N 0.20 0.88 0.02 -0.36 -7.23 0.22 -4.94 120.40 109.17 2inc s VAL 21 Ca 0.57 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 2inc s VAL 21 Cb -0.36 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2inc s VAL 21 CO 0.37 0.00 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.53 2inc s ASP 22 N -3.79 5.02 0.65 4.85 2.15 -1.26 -0.40 116.67 123.88 2inc s ASP 22 Ca 0.10 -0.06 0.41 0.00 0.43 0.00 0.00 52.55 53.43 2inc s ASP 22 Cb 0.01 -1.27 2.26 0.00 -0.30 0.00 0.00 42.92 43.63 2inc s ASP 22 CO 0.07 0.26 2.34 0.71 -0.17 0.00 0.00 175.17 178.37 2inc h THR 23 N 3.44 0.12 -0.00 1.71 1.35 -1.92 -1.13 112.91 116.48 2inc h THR 23 Ca -0.49 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2inc h THR 23 Cb 1.17 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2inc h THR 23 CO 0.57 0.00 -0.34 -0.62 -0.25 0.00 0.00 175.52 174.88 2inc n GLU 24 N -3.26 0.07 -1.95 4.72 -0.58 -1.26 -0.12 120.64 118.26 2inc n GLU 24 Ca -0.03 -0.03 -0.40 0.00 -0.42 0.00 0.00 57.16 56.28 2inc n GLU 24 Cb 0.08 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.45 2inc n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2inc s ASP 25 N -2.95 6.28 0.71 1.62 1.01 -0.43 -4.73 116.67 118.18 2inc s ASP 25 Ca 0.13 2.80 -0.11 0.00 0.71 0.00 0.00 52.55 56.08 2inc s ASP 25 Cb 0.18 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.48 2inc s ASP 25 CO 0.64 -0.89 1.07 -0.89 0.21 0.00 0.00 175.17 175.30 2inc s THR 26 N -1.20 3.86 0.29 -1.27 2.01 -1.26 -0.46 115.64 117.61 2inc s THR 26 Ca 0.56 0.60 0.03 0.00 0.31 0.00 0.00 61.69 63.20 2inc s THR 26 Cb -0.41 -3.35 0.29 0.00 0.01 0.00 0.00 72.50 69.04 2inc s THR 26 CO 0.54 -0.79 1.82 0.24 -0.69 0.00 0.00 174.62 175.74 2inc h MET 27 N -0.78 0.88 -0.76 4.92 2.86 -0.48 -0.08 114.93 121.50 2inc h MET 27 Ca -0.44 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.22 2inc h MET 27 Cb 1.22 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 32.62 2inc h MET 27 CO 0.57 0.58 0.42 -0.44 1.06 0.00 0.00 176.91 179.11 2inc h ASP 28 N 0.91 0.62 1.13 1.22 3.32 -1.67 0.16 116.42 122.10 2inc h ASP 28 Ca 0.52 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.49 2inc h ASP 28 Cb 0.63 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2inc h ASP 28 CO -0.29 0.37 -0.58 1.56 -1.72 0.00 0.00 179.24 178.58 2inc h GLN 29 N 0.75 0.00 -0.04 3.56 4.20 -1.39 -2.21 115.11 119.97 2inc h GLN 29 Ca 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 2inc h GLN 29 Cb 0.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2inc h GLN 29 CO -0.22 0.58 0.01 0.28 -0.67 0.00 0.00 178.83 178.81 2inc h VAL 30 N 0.00 1.19 -0.94 -0.54 2.07 -0.51 -2.34 116.25 115.18 2inc h VAL 30 Ca -0.01 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2inc h VAL 30 Cb 1.30 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.53 2inc h VAL 30 CO 0.08 0.16 0.62 0.00 0.02 0.00 0.00 177.57 178.44 2inc h ALA 31 N 0.78 1.41 0.05 1.67 0.00 -0.90 -0.00 119.26 122.27 2inc h ALA 31 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2inc h ALA 31 Cb 0.24 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2inc h ALA 31 CO 0.00 0.49 -0.20 1.49 0.00 0.00 0.00 179.25 181.03 2inc h GLU 32 N 1.17 -0.33 -0.63 0.00 4.57 -1.37 0.47 114.58 118.46 2inc h GLU 32 Ca 0.38 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.62 2inc h GLU 32 Cb 0.04 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 2inc h GLU 32 CO -0.12 -0.22 0.38 0.87 -1.18 0.00 0.00 179.01 178.73 2inc h LYS 33 N -0.35 0.71 0.08 1.92 1.57 -0.77 -2.32 116.57 117.41 2inc h LYS 33 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2inc h LYS 33 Cb 0.40 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2inc h LYS 33 CO -0.15 0.47 -0.04 0.00 -0.57 0.00 0.00 179.45 179.16 2inc h ALA 35 N 0.72 2.18 -0.59 0.00 0.00 0.33 0.13 119.26 122.03 2inc h ALA 35 Ca -0.01 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.13 2inc h ALA 35 Cb 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2inc h ALA 35 CO 0.02 -0.57 0.43 -0.92 0.00 0.00 0.00 179.25 178.21 2inc h TYR 36 N 0.43 0.00 -0.36 0.00 3.20 -1.38 0.14 116.97 118.99 2inc h TYR 36 Ca 0.58 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.45 2inc h TYR 36 Cb 1.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.69 2inc h TYR 36 CO -0.00 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.24 2inc n HIS 37 N -4.34 0.46 0.04 -3.82 8.25 0.46 -4.70 115.22 111.57 2inc n HIS 37 Ca 0.11 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2inc n HIS 37 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 2inc n HIS 37 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2inc n SER 38 N 1.44 -0.02 -4.74 0.41 7.64 -0.45 -4.87 113.62 113.02 2inc n SER 38 Ca 0.19 0.13 -0.42 0.00 1.01 0.00 0.00 58.87 59.78 2inc n SER 38 Cb 0.60 0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.87 2inc n SER 38 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2inc s ILE 39 N -2.00 2.57 -0.30 0.44 -1.09 0.35 -1.09 121.20 120.08 2inc s ILE 39 Ca 0.00 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 2inc s ILE 39 Cb 0.00 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 2inc s ILE 39 CO 0.00 0.06 0.00 0.59 -1.23 0.00 0.00 174.94 174.36 2inc n ASN 40 N 2.72 -5.11 -0.02 3.58 3.02 0.22 -4.80 115.26 114.87 2inc n ASN 40 Ca 0.09 0.07 -0.02 0.00 -0.03 0.00 0.00 54.58 54.69 2inc n ASN 40 Cb 0.39 -2.86 -0.01 0.00 -0.61 0.00 0.00 39.78 36.70 2inc n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2inc n ARG 41 N -0.56 0.11 0.00 3.52 1.74 -0.39 -4.90 116.66 116.17 2inc n ARG 41 Ca -0.03 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2inc n ARG 41 Cb 0.39 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 2inc n ARG 41 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2inc n ARG 42 N -2.88 0.61 -4.43 5.56 1.74 -1.02 -5.09 116.66 111.14 2inc n ARG 42 Ca -0.03 -0.35 -0.20 0.00 -0.77 0.00 0.00 57.85 56.50 2inc n ARG 42 Cb 0.10 -0.84 -0.15 0.00 -1.02 0.00 0.00 32.46 30.55 2inc n ARG 42 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2inc s VAL 43 N -0.19 0.81 0.35 1.55 1.01 -0.25 -4.80 120.40 118.88 2inc s VAL 43 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.29 2inc s VAL 43 Cb 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 2inc s VAL 43 CO 0.00 0.23 1.01 -1.00 0.00 0.00 0.00 175.10 175.34 2inc s HIS 44 N -0.21 3.48 0.76 5.22 3.76 -1.26 0.69 115.29 127.73 2inc s HIS 44 Ca 0.03 1.71 -0.15 0.00 -0.15 0.00 0.00 55.06 56.50 2inc s HIS 44 Cb -0.04 -3.05 -0.01 0.00 1.11 0.00 0.00 32.58 30.59 2inc s HIS 44 CO -0.00 -0.25 0.71 -2.30 -0.85 0.00 0.00 174.74 172.04 2inc n PRO 45 N 0.32 0.28 -3.52 8.40 -0.02 -1.26 -4.86 135.00 134.35 2inc n PRO 45 Ca 0.03 0.15 -0.28 0.00 -2.02 0.00 0.00 63.50 61.38 2inc n PRO 45 Cb 0.49 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 2inc n PRO 45 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2inc s GLN 46 N -3.15 1.17 0.00 -0.52 -0.21 -1.26 -5.00 119.66 110.69 2inc s GLN 46 Ca 0.67 -2.23 0.27 0.00 0.02 0.00 0.00 55.36 54.10 2inc s GLN 46 Cb -0.33 -1.84 1.43 0.00 1.00 0.00 0.00 33.01 33.27 2inc s GLN 46 CO 0.56 -1.33 1.94 -0.35 -2.12 0.00 0.00 175.29 174.00 2inc n PRO 47 N 2.89 0.49 0.00 2.91 -0.05 -1.26 -0.88 135.00 139.10 2inc n PRO 47 Ca 0.24 0.02 0.14 0.00 -0.05 0.00 0.00 63.50 63.85 2inc n PRO 47 Cb 0.43 -1.50 0.80 0.00 -0.05 0.00 0.00 33.50 33.19 2inc n PRO 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2inc n GLU 48 N -1.23 0.98 -4.37 0.54 -0.58 -1.26 -4.92 120.64 109.81 2inc n GLU 48 Ca 0.15 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.69 2inc n GLU 48 Cb 0.19 -1.43 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 2inc n GLU 48 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2inc s LYS 49 N -2.00 1.39 -0.08 3.49 -0.14 -0.06 -4.84 119.74 117.50 2inc s LYS 49 Ca 0.41 -1.64 0.03 0.00 -1.36 0.00 0.00 55.97 53.40 2inc s LYS 49 Cb 0.19 -1.15 -0.02 0.00 -1.68 0.00 0.00 37.83 35.17 2inc s LYS 49 CO 0.31 0.15 -0.17 0.42 -0.76 0.00 0.00 175.35 175.30 2inc s ILE 50 N -2.97 2.74 -0.18 2.17 1.01 1.38 -4.89 121.20 120.46 2inc s ILE 50 Ca 0.24 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 2inc s ILE 50 Cb 0.00 -2.08 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 2inc s ILE 50 CO 0.08 0.56 1.05 -0.76 0.00 0.00 0.00 174.94 175.87 2inc s LEU 51 N -0.15 4.16 0.27 2.97 1.43 -1.26 0.11 118.68 126.21 2inc s LEU 51 Ca -0.02 1.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.63 2inc s LEU 51 Cb -0.14 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2inc s LEU 51 CO 0.04 -0.60 0.13 -0.13 0.23 0.00 0.00 176.35 176.01 2inc s ARG 52 N 2.80 2.63 -0.20 1.70 1.81 0.16 -4.85 118.95 123.01 2inc s ARG 52 Ca 0.47 -1.25 -0.02 0.00 -1.72 0.00 0.00 55.73 53.20 2inc s ARG 52 Cb -0.17 -2.38 -0.00 0.00 -0.45 0.00 0.00 34.95 31.95 2inc s ARG 52 CO 0.11 0.34 -0.08 0.08 -0.68 0.00 0.00 175.30 175.06 2inc s VAL 53 N -2.24 3.10 0.07 3.52 1.01 -1.26 -1.37 120.40 123.22 2inc s VAL 53 Ca 0.33 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2inc s VAL 53 Cb -0.07 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2inc s VAL 53 CO 0.23 0.46 -0.20 0.00 0.00 0.00 0.00 175.10 175.59 2inc s ARG 54 N 1.27 1.21 0.01 2.72 1.70 -0.45 -1.07 118.95 124.33 2inc s ARG 54 Ca 0.03 -1.02 -0.30 0.00 -0.47 0.00 0.00 55.73 53.97 2inc s ARG 54 Cb -0.14 -1.38 -0.07 0.00 -0.57 0.00 0.00 34.95 32.79 2inc s ARG 54 CO -0.04 0.34 1.64 0.50 -1.08 0.00 0.00 175.30 176.66 2inc s ARG 55 N -1.50 4.20 0.19 3.89 3.52 0.09 0.13 118.95 129.47 2inc s ARG 55 Ca 0.06 2.24 -0.12 0.00 -0.13 0.00 0.00 55.73 57.78 2inc s ARG 55 Cb -0.09 -3.78 0.13 0.00 -1.56 0.00 0.00 34.95 29.64 2inc s ARG 55 CO 0.03 -0.77 1.85 1.25 -0.81 0.00 0.00 175.30 176.85 2inc h HIS 56 N 8.87 0.77 -0.96 5.12 -0.00 -1.29 -0.35 115.15 127.30 2inc h HIS 56 Ca -0.41 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 2inc h HIS 56 Cb 1.19 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 28.30 2inc h HIS 56 CO 0.83 0.46 0.60 1.49 -0.00 0.00 0.00 177.93 181.31 2inc h GLU 57 N 0.82 1.29 0.00 5.26 4.81 -1.91 -3.32 114.58 121.54 2inc h GLU 57 Ca 0.24 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2inc h GLU 57 Cb -0.05 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.05 2inc h GLU 57 CO -0.07 0.89 0.00 -0.40 -0.73 0.00 0.00 179.01 178.69 2inc n ASP 58 N -4.37 0.15 0.00 1.04 5.75 -1.21 -5.02 116.55 112.89 2inc n ASP 58 Ca 0.11 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.40 2inc n ASP 58 Cb 0.04 0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 2inc n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2inc n GLY 59 N 0.59 0.69 3.68 6.12 0.00 -0.15 -5.01 105.19 111.11 2inc n GLY 59 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2inc n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2inc s THR 60 N -2.00 3.06 -0.11 2.61 2.01 -1.24 -4.76 115.64 115.21 2inc s THR 60 Ca 0.00 0.43 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 2inc s THR 60 Cb 0.00 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2inc s THR 60 CO 0.00 -0.01 0.76 -0.22 -0.69 0.00 0.00 174.62 174.46 2inc s LEU 61 N 3.02 4.26 -0.03 4.42 2.96 -1.26 -0.73 118.68 131.31 2inc s LEU 61 Ca 0.76 1.19 -0.13 0.00 -0.22 0.00 0.00 54.13 55.72 2inc s LEU 61 Cb -0.40 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 2inc s LEU 61 CO 0.33 -0.23 0.36 -0.36 -1.32 0.00 0.00 176.35 175.12 2inc s PHE 62 N 1.36 3.69 0.68 5.38 0.08 -0.24 -5.00 117.98 123.92 2inc s PHE 62 Ca 0.38 0.89 -0.15 0.00 0.12 0.00 0.00 56.93 58.17 2inc s PHE 62 Cb -0.17 -2.24 0.01 0.00 -0.57 0.00 0.00 43.02 40.05 2inc s PHE 62 CO 0.16 0.63 1.12 -2.14 -0.10 0.00 0.00 175.22 174.89 2inc s PRO 63 N -0.94 2.67 0.39 0.24 0.02 -1.26 -4.48 135.00 131.63 2inc s PRO 63 Ca 0.22 1.41 0.13 0.00 0.02 0.00 0.00 61.00 62.78 2inc s PRO 63 Cb -0.16 -1.93 0.94 0.00 0.02 0.00 0.00 34.50 33.37 2inc s PRO 63 CO 0.11 -1.36 1.87 0.00 -0.33 0.00 0.00 177.00 177.30 2inc h ARG 64 N -0.11 0.54 0.00 5.54 3.08 -1.96 -2.70 114.38 118.77 2inc h ARG 64 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2inc h ARG 64 Cb 1.25 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2inc h ARG 64 CO 0.53 0.36 -1.08 0.41 -1.07 0.00 0.00 179.97 179.12 2inc n GLY 65 N -1.47 -1.21 3.66 0.04 0.00 -1.26 -1.87 105.19 103.08 2inc n GLY 65 Ca 0.17 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 2inc n GLY 65 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2inc n MET 66 N -2.01 1.90 -3.98 1.61 0.00 -1.02 -4.61 117.12 109.02 2inc n MET 66 Ca 0.02 0.67 -0.26 0.00 -0.00 0.00 0.00 57.70 58.13 2inc n MET 66 Cb 0.45 -2.28 -0.04 0.00 0.00 0.00 0.00 33.22 31.35 2inc n MET 66 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 2inc s ILE 67 N -0.30 5.11 0.18 1.12 -4.36 -1.26 -0.56 121.20 121.14 2inc s ILE 67 Ca 0.66 -0.78 -0.13 0.00 -0.26 0.00 0.00 60.65 60.14 2inc s ILE 67 Cb -0.66 -3.62 0.09 0.00 1.25 0.00 0.00 42.46 39.51 2inc s ILE 67 CO 0.52 -0.09 1.74 0.58 0.24 0.00 0.00 174.94 177.93 2inc h VAL 68 N 1.75 0.80 -1.61 8.37 2.07 -0.70 0.17 116.25 127.09 2inc h VAL 68 Ca -0.48 -0.10 0.47 0.00 0.82 0.00 0.00 66.70 67.40 2inc h VAL 68 Cb 1.19 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2inc h VAL 68 CO 0.67 0.06 1.16 -1.28 0.02 0.00 0.00 177.57 178.20 2inc h SER 69 N 0.31 0.00 -0.08 0.57 0.87 -0.80 0.13 113.55 114.55 2inc h SER 69 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2inc h SER 69 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2inc h SER 69 CO -0.26 -0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.51 2inc n ASP 70 N -4.05 2.64 0.10 6.23 8.00 0.03 -4.56 116.55 124.94 2inc n ASP 70 Ca 0.36 -1.79 0.12 0.00 0.71 0.00 0.00 54.79 54.19 2inc n ASP 70 Cb 1.66 -0.04 0.18 0.00 -0.02 0.00 0.00 41.12 42.90 2inc n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2inc h ALA 71 N 3.60 0.71 -3.56 2.24 0.00 -0.54 -3.48 119.26 118.23 2inc h ALA 71 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2inc h ALA 71 Cb 0.78 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.65 2inc h ALA 71 CO 0.00 0.00 -0.36 0.41 0.00 0.00 0.00 179.25 179.30 2inc n GLY 72 N 1.26 0.16 3.82 0.00 0.00 -1.26 -5.01 105.19 104.16 2inc n GLY 72 Ca 0.03 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2inc n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2inc s LEU 73 N -4.24 4.42 0.27 0.99 1.43 -1.26 -5.07 118.68 115.23 2inc s LEU 73 Ca 0.25 1.23 -0.27 0.00 -1.03 0.00 0.00 54.13 54.31 2inc s LEU 73 Cb -0.11 -3.18 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 2inc s LEU 73 CO 0.37 0.16 0.92 -0.13 0.23 0.00 0.00 176.35 177.91 2inc s ARG 74 N -1.60 4.68 0.10 1.70 0.52 -1.26 -4.99 118.95 118.10 2inc s ARG 74 Ca 0.35 1.36 -0.36 0.00 -0.52 0.00 0.00 55.73 56.56 2inc s ARG 74 Cb -0.17 -3.03 -0.16 0.00 0.52 0.00 0.00 34.95 32.10 2inc s ARG 74 CO 0.20 0.40 1.34 -2.30 0.02 0.00 0.00 175.30 174.96 2inc n PRO 75 N 1.02 1.21 -0.78 3.54 -0.02 -1.26 -0.28 135.00 138.43 2inc n PRO 75 Ca -0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2inc n PRO 75 Cb 0.49 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2inc n PRO 75 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2inc n THR 76 N 2.49 0.00 -1.52 3.45 -1.04 0.74 -4.99 114.28 113.41 2inc n THR 76 Ca 0.18 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.73 2inc n THR 76 Cb 0.20 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.69 2inc n THR 76 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2inc n GLU 77 N -2.30 0.86 -3.25 -2.82 4.07 0.62 -4.00 120.64 113.81 2inc n GLU 77 Ca 0.00 0.30 -0.38 0.00 -0.06 0.00 0.00 57.16 57.02 2inc n GLU 77 Cb 0.00 -1.54 -0.06 0.00 -0.06 0.00 0.00 31.44 29.79 2inc n GLU 77 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2inc s THR 78 N -1.04 5.02 -0.10 6.31 2.01 -1.26 -1.23 115.64 125.34 2inc s THR 78 Ca 0.61 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.77 2inc s THR 78 Cb -0.78 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 67.85 2inc s THR 78 CO 0.59 0.39 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.96 2inc s LEU 79 N 0.05 1.87 0.18 4.42 1.43 0.39 -0.78 118.68 126.24 2inc s LEU 79 Ca 0.29 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 2inc s LEU 79 Cb -0.17 -1.17 -0.07 0.00 0.03 0.00 0.00 46.19 44.80 2inc s LEU 79 CO 0.15 0.08 1.04 -1.81 0.23 0.00 0.00 176.35 176.03 2inc s ASP 80 N 0.66 7.39 -0.28 2.29 1.01 0.12 -1.10 116.67 126.75 2inc s ASP 80 Ca -0.13 2.00 0.00 0.00 0.71 0.00 0.00 52.55 55.14 2inc s ASP 80 Cb -0.16 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.22 2inc s ASP 80 CO 0.03 -0.12 -0.05 -0.63 0.21 0.00 0.00 175.17 174.62 2inc s ILE 81 N -0.39 2.62 0.10 0.77 1.09 -0.54 -1.35 121.20 123.51 2inc s ILE 81 Ca 0.47 -1.51 0.09 0.00 -1.10 0.00 0.00 60.65 58.60 2inc s ILE 81 Cb -0.27 -2.53 -0.04 0.00 -1.06 0.00 0.00 42.46 38.56 2inc s ILE 81 CO 0.34 -0.08 -0.20 0.27 -0.10 0.00 0.00 174.94 175.17 2inc s ILE 82 N 1.18 2.70 -0.25 2.92 -4.36 -0.47 0.05 121.20 122.97 2inc s ILE 82 Ca -0.07 -1.48 -0.29 0.00 -0.26 0.00 0.00 60.65 58.56 2inc s ILE 82 Cb -0.20 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.32 2inc s ILE 82 CO -0.03 0.16 1.06 -0.36 0.24 0.00 0.00 174.94 176.01 2inc s PHE 83 N -1.07 3.27 0.33 1.37 0.08 -1.26 0.39 117.98 121.08 2inc s PHE 83 Ca 0.16 1.37 0.03 0.00 0.12 0.00 0.00 56.93 58.62 2inc s PHE 83 Cb -0.10 -3.40 -0.04 0.00 -0.57 0.00 0.00 43.02 38.90 2inc s PHE 83 CO 0.08 -0.60 0.12 -1.64 -0.10 0.00 0.00 175.22 173.08 2inc s MET 84 N 3.35 1.66 0.00 0.44 -1.94 0.30 -4.91 119.30 118.19 2inc s MET 84 Ca 0.45 -1.95 0.02 0.00 -1.71 0.00 0.00 55.69 52.50 2inc s MET 84 Cb -0.14 -0.38 0.02 0.00 2.01 0.00 0.00 34.83 36.33 2inc s MET 84 CO 0.09 -0.39 0.56 -0.40 -0.01 0.00 0.00 175.02 174.88