#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pba n HIS 2 N 0.00 0.00 -3.74 1.57 -0.00 -1.26 -4.56 115.22 107.23 1pba n HIS 2 Ca 0.00 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.95 1pba n HIS 2 Cb 0.00 -0.28 -0.02 0.00 -0.12 0.00 0.00 29.99 29.57 1pba n HIS 2 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1pba s SER 3 N -2.52 6.32 -1.17 0.26 1.04 -1.26 -5.03 113.70 111.35 1pba s SER 3 Ca 0.00 0.24 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 1pba s SER 3 Cb 0.00 -1.94 0.24 0.00 0.10 0.00 0.00 66.02 64.42 1pba s SER 3 CO 0.00 -0.13 1.60 0.61 0.98 0.00 0.00 173.24 176.30 1pba n GLY 4 N -1.38 4.79 0.00 7.32 0.00 -1.26 -4.82 105.19 109.84 1pba n GLY 4 Ca -0.07 -2.39 0.00 0.00 0.00 0.00 0.00 46.02 43.56 1pba n GLY 4 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pba n GLU 5 N 2.76 3.82 -1.46 1.61 -0.00 -1.26 -4.95 120.64 121.15 1pba n GLU 5 Ca 0.32 0.00 -0.35 0.00 -0.00 0.00 0.00 57.16 57.13 1pba n GLU 5 Cb 0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.75 1pba n GLU 5 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1pba n HIS 6 N 0.00 2.12 0.00 -1.84 1.44 -1.26 -4.85 115.22 110.83 1pba n HIS 6 Ca 0.00 -2.76 0.00 0.00 -2.01 0.00 0.00 57.72 52.95 1pba n HIS 6 Cb 0.00 -2.15 0.00 0.00 0.12 0.00 0.00 29.99 27.96 1pba n HIS 6 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1pba n PHE 7 N 2.80 0.00 0.00 -1.40 3.01 -1.26 -3.92 117.46 116.69 1pba n PHE 7 Ca 0.68 0.00 0.00 0.00 1.01 0.00 0.00 57.45 59.14 1pba n PHE 7 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1pba n PHE 7 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1pba n GLU 8 N 0.00 0.00 0.00 -1.08 1.02 -1.26 -4.69 120.64 114.63 1pba n GLU 8 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pba n GLU 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1pba n GLU 8 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pba n GLY 9 N 0.00 0.00 3.42 0.62 0.00 -1.25 -4.42 105.19 103.55 1pba n GLY 9 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1pba n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pba s GLU 10 N -1.08 1.56 0.25 1.61 -1.05 -1.26 -4.02 118.70 114.70 1pba s GLU 10 Ca 0.00 -1.84 -0.15 0.00 -0.15 0.00 0.00 54.97 52.84 1pba s GLU 10 Cb 0.00 -0.87 0.00 0.00 -0.44 0.00 0.00 34.13 32.82 1pba s GLU 10 CO 0.00 -0.12 0.52 0.15 0.95 0.00 0.00 175.26 176.76 1pba s LYS 11 N -3.85 1.57 0.00 -4.83 1.02 -1.26 -5.06 119.74 107.33 1pba s LYS 11 Ca 0.33 -1.16 0.02 0.00 0.02 0.00 0.00 55.97 55.19 1pba s LYS 11 Cb 0.07 0.50 -0.01 0.00 -0.52 0.00 0.00 37.83 37.87 1pba s LYS 11 CO 0.13 -0.67 -0.08 0.54 -0.92 0.00 0.00 175.35 174.36 1pba s VAL 12 N -3.98 0.62 0.07 3.17 0.11 -1.26 -1.83 120.40 117.30 1pba s VAL 12 Ca 0.19 -0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1pba s VAL 12 Cb -0.02 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1pba s VAL 12 CO 0.07 0.08 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.54 1pba s PHE 13 N -0.38 0.65 0.01 1.54 0.40 -0.96 -4.66 117.98 114.58 1pba s PHE 13 Ca 0.01 -1.06 0.03 0.00 -0.60 0.00 0.00 56.93 55.32 1pba s PHE 13 Cb -0.04 -0.43 -0.01 0.00 0.51 0.00 0.00 43.02 43.04 1pba s PHE 13 CO -0.00 -0.35 -0.11 0.50 0.70 0.00 0.00 175.22 175.96 1pba s ARG 14 N -3.92 0.79 -0.08 0.44 3.52 -1.21 -3.38 118.95 115.10 1pba s ARG 14 Ca 0.10 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 1pba s ARG 14 Cb 0.07 -0.75 -0.02 0.00 -1.56 0.00 0.00 34.95 32.70 1pba s ARG 14 CO -0.07 0.19 -0.15 0.08 -0.81 0.00 0.00 175.30 174.54 1pba s VAL 15 N -0.53 2.92 0.22 7.11 1.01 -1.09 -0.56 120.40 129.48 1pba s VAL 15 Ca 0.02 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1pba s VAL 15 Cb -0.06 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1pba s VAL 15 CO 0.00 0.56 0.17 0.21 0.00 0.00 0.00 175.10 176.05 1pba s ASN 16 N -0.22 5.52 -0.14 3.32 3.84 0.11 -1.22 114.94 126.14 1pba s ASN 16 Ca 0.00 -0.20 0.01 0.00 0.21 0.00 0.00 52.86 52.88 1pba s ASN 16 Cb -0.13 -1.42 0.02 0.00 -0.55 0.00 0.00 41.25 39.17 1pba s ASN 16 CO 0.03 0.00 -0.16 -0.69 -2.79 0.00 0.00 177.10 173.49 1pba s VAL 17 N -1.98 1.69 -0.16 -5.21 1.01 -1.26 -4.70 120.40 109.79 1pba s VAL 17 Ca 0.32 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1pba s VAL 17 Cb -0.09 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1pba s VAL 17 CO 0.24 0.48 -0.22 -0.62 0.00 0.00 0.00 175.10 174.98 1pba n GLU 18 N 4.51 0.48 0.00 2.72 -0.58 -1.26 -2.34 120.64 124.17 1pba n GLU 18 Ca -0.18 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1pba n GLU 18 Cb 0.51 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1pba n GLU 18 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1pba n ASP 19 N -4.55 0.00 0.12 1.62 5.75 -1.26 -4.22 116.55 114.01 1pba n ASP 19 Ca -0.11 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.74 1pba n ASP 19 Cb 0.37 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.49 1pba n ASP 19 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1pba h GLU 20 N 0.00 0.00 -0.12 0.11 4.57 -1.98 -3.37 114.58 113.79 1pba h GLU 20 Ca 0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1pba h GLU 20 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1pba h GLU 20 CO 0.00 0.19 -0.23 -0.97 -1.18 0.00 0.00 179.01 176.82 1pba h ASN 21 N 0.00 -0.74 -0.58 1.04 -1.24 -1.98 0.28 115.58 112.35 1pba h ASN 21 Ca -0.04 0.09 0.09 0.00 0.71 0.00 0.00 56.30 57.16 1pba h ASN 21 Cb 1.23 0.30 -0.11 0.00 0.73 0.00 0.00 38.32 40.47 1pba h ASN 21 CO 0.03 -0.18 -0.39 -0.78 -1.29 0.00 0.00 177.43 174.81 1pba h ASP 22 N -0.20 -1.36 -0.53 1.15 1.82 -1.93 0.42 116.42 115.80 1pba h ASP 22 Ca 0.02 0.24 0.10 0.00 -0.39 0.00 0.00 57.03 57.01 1pba h ASP 22 Cb 0.26 0.64 -0.09 0.00 0.68 0.00 0.00 39.33 40.82 1pba h ASP 22 CO -0.22 -0.32 -0.02 0.40 -1.61 0.00 0.00 179.24 177.47 1pba h ILE 23 N -0.20 0.56 0.00 2.25 2.04 -1.59 0.93 117.51 121.50 1pba h ILE 23 Ca 0.20 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1pba h ILE 23 Cb 0.56 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1pba h ILE 23 CO -0.68 0.02 -0.02 0.28 0.00 0.00 0.00 178.15 177.75 1pba h SER 24 N 0.09 -0.04 0.31 1.72 0.02 0.18 0.21 113.55 116.04 1pba h SER 24 Ca 0.27 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1pba h SER 24 Cb 0.41 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1pba h SER 24 CO -0.46 -0.02 -0.15 -0.33 -1.14 0.00 0.00 176.83 174.72 1pba h GLU 25 N -0.03 -0.41 -0.94 3.45 5.08 0.11 -3.07 114.58 118.78 1pba h GLU 25 Ca 0.01 0.03 0.20 0.00 -1.00 0.00 0.00 59.36 58.59 1pba h GLU 25 Cb 0.04 0.09 -0.18 0.00 0.50 0.00 0.00 28.75 29.20 1pba h GLU 25 CO -0.02 -0.27 -0.19 1.25 -1.00 0.00 0.00 179.01 178.78 1pba h LEU 26 N -0.45 -0.80 -0.92 1.33 5.85 0.81 0.43 115.31 121.56 1pba h LEU 26 Ca -0.04 0.28 0.16 0.00 0.84 0.00 0.00 57.88 59.11 1pba h LEU 26 Cb 0.32 0.56 -0.16 0.00 0.37 0.00 0.00 40.66 41.75 1pba h LEU 26 CO 0.07 -0.31 -0.31 1.41 -0.34 0.00 0.00 178.44 178.96 1pba n HIS 27 N -5.57 0.15 -0.35 1.25 8.25 0.73 0.04 115.22 119.72 1pba n HIS 27 Ca 0.16 1.13 -0.04 0.00 -0.26 0.00 0.00 57.72 58.70 1pba n HIS 27 Cb 0.51 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.70 1pba n HIS 27 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1pba h GLU 28 N 0.00 -0.05 -0.82 -0.41 4.81 -0.06 0.82 114.58 118.87 1pba h GLU 28 Ca 0.37 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.79 1pba h GLU 28 Cb 0.60 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 29.84 1pba h GLU 28 CO -0.93 -0.03 -0.12 -0.11 -0.73 0.00 0.00 179.01 177.10 1pba n LEU 29 N -5.42 -0.21 -0.31 1.64 -0.00 0.11 0.59 117.00 113.39 1pba n LEU 29 Ca 0.07 1.40 0.10 0.00 -0.00 0.00 0.00 56.01 57.57 1pba n LEU 29 Cb 0.36 -0.46 0.22 0.00 -0.00 0.00 0.00 43.42 43.54 1pba n LEU 29 CO -0.11 -1.37 0.80 0.00 -0.00 0.00 0.00 177.39 176.71 1pba h ALA 30 N 1.63 0.95 -0.94 1.96 0.00 -0.87 0.29 119.26 122.27 1pba h ALA 30 Ca 0.43 0.30 0.38 0.00 0.00 0.00 0.00 54.91 56.03 1pba h ALA 30 Cb 0.76 0.54 -0.17 0.00 0.00 0.00 0.00 17.79 18.92 1pba h ALA 30 CO -0.81 -0.48 0.47 0.43 0.00 0.00 0.00 179.25 178.86 1pba n SER 31 N -5.44 0.30 -0.00 0.00 7.64 0.20 0.95 113.62 117.26 1pba n SER 31 Ca 0.18 1.56 0.08 0.00 1.01 0.00 0.00 58.87 61.70 1pba n SER 31 Cb 0.61 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 62.95 1pba n SER 31 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1pba n THR 32 N -5.14 0.00 -3.98 0.44 -2.24 0.71 -4.98 114.28 99.09 1pba n THR 32 Ca 0.35 -0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.57 1pba n THR 32 Cb 1.18 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 69.91 1pba n THR 32 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1pba n ARG 33 N -1.71 -0.84 0.21 -0.78 0.63 0.27 -4.69 116.66 109.75 1pba n ARG 33 Ca 0.00 0.10 0.18 0.00 -0.92 0.00 0.00 57.85 57.21 1pba n ARG 33 Cb 0.33 -3.48 0.82 0.00 0.45 0.00 0.00 32.46 30.59 1pba n ARG 33 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1pba h GLN 34 N -0.92 0.00 -5.30 -0.14 5.75 -1.85 -3.41 115.11 109.23 1pba h GLN 34 Ca -0.51 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.36 1pba h GLN 34 Cb 1.13 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.55 1pba h GLN 34 CO 0.67 0.00 -0.55 0.96 -2.65 0.00 0.00 178.83 177.27 1pba s ILE 35 N -4.47 1.32 0.25 2.39 -5.25 -1.26 -4.89 121.20 109.29 1pba s ILE 35 Ca -0.04 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.63 1pba s ILE 35 Cb 0.14 -2.46 -0.00 0.00 2.95 0.00 0.00 42.46 43.08 1pba s ILE 35 CO 0.47 0.00 0.03 -0.67 -1.79 0.00 0.00 174.94 172.98 1pba n ASP 36 N -1.15 2.10 -4.28 4.36 -0.08 -1.26 -5.03 116.55 111.21 1pba n ASP 36 Ca -0.12 -2.17 -0.15 0.00 -1.51 0.00 0.00 54.79 50.83 1pba n ASP 36 Cb 0.67 0.33 -0.10 0.00 2.34 0.00 0.00 41.12 44.36 1pba n ASP 36 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1pba s PHE 37 N -2.12 1.36 0.04 -0.67 0.08 -1.26 -4.54 117.98 110.87 1pba s PHE 37 Ca 0.04 -0.83 0.00 0.00 0.12 0.00 0.00 56.93 56.26 1pba s PHE 37 Cb 0.00 -0.74 0.00 0.00 -0.57 0.00 0.00 43.02 41.72 1pba s PHE 37 CO 0.03 0.02 0.00 1.87 -0.10 0.00 0.00 175.22 177.04 1pba n TRP 38 N -0.28 -0.27 -3.88 0.36 -0.00 -0.46 -4.88 117.44 108.04 1pba n TRP 38 Ca -0.08 0.05 -0.24 0.00 -0.00 0.00 0.00 57.50 57.23 1pba n TRP 38 Cb 0.62 0.25 -0.17 0.00 -0.00 0.00 0.00 31.31 32.01 1pba n TRP 38 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1pba s LYS 39 N -2.00 0.96 0.00 5.87 1.02 -1.22 -4.07 119.74 120.29 1pba s LYS 39 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 55.95 1pba s LYS 39 Cb 0.00 -1.17 0.00 0.00 -0.52 0.00 0.00 37.83 36.14 1pba s LYS 39 CO 0.00 -0.26 0.00 -2.30 -0.92 0.00 0.00 175.35 171.87 1pba n PRO 40 N 4.93 -0.10 -0.13 -1.68 -0.02 -1.26 0.11 135.00 136.86 1pba n PRO 40 Ca -0.11 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.10 1pba n PRO 40 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.87 1pba n PRO 40 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pba n ASP 41 N -1.27 1.94 -4.83 2.55 5.75 -1.26 -4.77 116.55 114.67 1pba n ASP 41 Ca 0.00 0.33 -0.35 0.00 -0.01 0.00 0.00 54.79 54.76 1pba n ASP 41 Cb 0.00 -0.84 -0.07 0.00 -1.03 0.00 0.00 41.12 39.19 1pba n ASP 41 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1pba s SER 42 N -7.26 5.99 -0.62 -1.12 0.01 -1.26 -4.71 113.70 104.74 1pba s SER 42 Ca -0.36 0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.20 1pba s SER 42 Cb 0.12 -1.83 0.42 0.00 0.21 0.00 0.00 66.02 64.94 1pba s SER 42 CO 0.53 0.33 1.76 0.55 0.41 0.00 0.00 173.24 176.82 1pba n VAL 43 N 1.52 3.26 0.01 3.43 3.14 -1.26 -4.57 118.33 123.85 1pba n VAL 43 Ca -0.15 -3.84 -0.00 0.00 -2.96 0.00 0.00 64.34 57.38 1pba n VAL 43 Cb 0.54 -1.20 -0.00 0.00 -1.06 0.00 0.00 33.84 32.12 1pba n VAL 43 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1pba n THR 44 N -0.71 0.33 -1.17 1.55 -2.24 -1.26 -4.77 114.28 106.01 1pba n THR 44 Ca 0.54 0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 62.25 1pba n THR 44 Cb 0.59 -1.20 -0.13 0.00 -2.10 0.00 0.00 70.33 67.49 1pba n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pba n GLN 45 N -2.78 2.40 -4.85 -0.78 10.64 -1.26 -4.84 117.38 115.90 1pba n GLN 45 Ca -0.00 -1.49 -0.31 0.00 -1.83 0.00 0.00 57.00 53.36 1pba n GLN 45 Cb 0.01 -2.15 -0.13 0.00 -0.86 0.00 0.00 30.24 27.10 1pba n GLN 45 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1pba s ILE 46 N 0.49 2.73 0.24 -0.39 -1.09 -1.26 -5.12 121.20 116.80 1pba s ILE 46 Ca 0.65 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 1pba s ILE 46 Cb 0.31 -2.09 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 1pba s ILE 46 CO -0.05 0.46 0.11 -0.54 -1.23 0.00 0.00 174.94 173.69 1pba s LYS 47 N -1.07 1.34 0.76 2.79 -0.14 -1.26 -5.05 119.74 117.11 1pba s LYS 47 Ca 0.13 -1.72 -0.08 0.00 -1.36 0.00 0.00 55.97 52.94 1pba s LYS 47 Cb -0.10 -0.05 0.13 0.00 -1.68 0.00 0.00 37.83 36.13 1pba s LYS 47 CO 0.03 -0.34 0.30 -2.30 -0.76 0.00 0.00 175.35 172.27 1pba n PRO 48 N -0.39 -0.57 -3.25 -1.68 -0.02 -1.26 -4.28 135.00 123.54 1pba n PRO 48 Ca 0.01 -0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 60.87 1pba n PRO 48 Cb 0.66 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 1pba n PRO 48 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1pba n HIS 49 N -3.89 -0.75 0.00 6.00 1.44 -0.99 -4.80 115.22 112.23 1pba n HIS 49 Ca 0.05 0.26 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 1pba n HIS 49 Cb 0.20 -1.12 0.00 0.00 0.12 0.00 0.00 29.99 29.20 1pba n HIS 49 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1pba n SER 50 N -0.66 0.00 0.00 4.39 3.41 -1.26 -5.04 113.62 114.46 1pba n SER 50 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1pba n SER 50 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1pba n SER 50 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1pba n THR 51 N -2.11 0.00 -4.21 6.66 -1.04 -1.26 -4.89 114.28 107.44 1pba n THR 51 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 1pba n THR 51 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1pba n THR 51 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pba s VAL 52 N -2.62 1.14 0.02 12.58 1.01 -0.36 -4.25 120.40 127.92 1pba s VAL 52 Ca 0.00 -1.64 0.02 0.00 0.00 0.00 0.00 61.98 60.36 1pba s VAL 52 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1pba s VAL 52 CO 0.00 -0.45 -0.06 -0.62 0.00 0.00 0.00 175.10 173.96 1pba s ASP 53 N -2.37 0.72 0.00 3.32 2.15 0.31 -2.66 116.67 118.14 1pba s ASP 53 Ca 0.06 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.70 1pba s ASP 53 Cb -0.05 -0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.57 1pba s ASP 53 CO 0.02 -0.09 0.00 2.22 -0.17 0.00 0.00 175.17 177.15 1pba n PHE 54 N 2.13 0.00 -4.48 -5.34 -1.74 -1.22 -1.35 117.46 105.46 1pba n PHE 54 Ca -0.18 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.46 1pba n PHE 54 Cb 0.56 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.48 1pba n PHE 54 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1pba s ARG 55 N -2.00 1.94 0.35 3.97 0.52 -1.26 -2.27 118.95 120.19 1pba s ARG 55 Ca 0.00 -2.18 0.05 0.00 -0.52 0.00 0.00 55.73 53.08 1pba s ARG 55 Cb 0.00 -0.42 -0.07 0.00 0.52 0.00 0.00 34.95 34.98 1pba s ARG 55 CO 0.00 -0.54 0.03 0.08 0.02 0.00 0.00 175.30 174.89 1pba s VAL 56 N -3.23 1.48 0.00 3.52 1.01 -0.76 -4.48 120.40 117.94 1pba s VAL 56 Ca 0.25 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1pba s VAL 56 Cb 0.02 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1pba s VAL 56 CO 0.17 -0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.53 1pba n LYS 57 N -0.76 0.00 0.05 2.72 5.02 -1.26 -4.08 118.16 119.85 1pba n LYS 57 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1pba n LYS 57 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 1pba n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pba n ALA 58 N -3.00 3.00 -0.33 7.82 0.00 -1.26 -4.12 120.51 122.62 1pba n ALA 58 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 1pba n ALA 58 Cb 0.00 0.13 0.74 0.00 0.00 0.00 0.00 19.45 20.32 1pba n ALA 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1pba h GLU 59 N 0.00 0.00 -0.54 0.00 3.07 -1.98 -1.27 114.58 113.86 1pba h GLU 59 Ca 0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.60 1pba h GLU 59 Cb 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.76 1pba h GLU 59 CO 0.00 0.00 0.14 -0.40 -1.40 0.00 0.00 179.01 177.35 1pba n ASP 60 N -4.07 3.08 -1.76 1.42 5.75 -1.26 -4.64 116.55 115.06 1pba n ASP 60 Ca 0.26 -3.63 -0.14 0.00 -0.01 0.00 0.00 54.79 51.27 1pba n ASP 60 Cb 1.31 -0.69 0.05 0.00 -1.03 0.00 0.00 41.12 40.76 1pba n ASP 60 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1pba n ILE 61 N -1.01 2.49 0.00 2.12 5.41 -0.48 -2.97 119.36 124.91 1pba n ILE 61 Ca 0.40 -1.34 0.00 0.00 1.00 0.00 0.00 62.75 62.80 1pba n ILE 61 Cb 1.22 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 1pba n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pba n LEU 62 N 0.20 0.96 -0.19 1.39 -0.00 -1.26 -4.63 117.00 113.46 1pba n LEU 62 Ca 0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.20 1pba n LEU 62 Cb 0.72 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.16 1pba n LEU 62 CO 0.33 0.10 0.85 0.00 -0.00 0.00 0.00 177.39 178.67 1pba h ALA 63 N 0.00 0.70 0.63 1.47 0.00 -1.89 0.40 119.26 120.58 1pba h ALA 63 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1pba h ALA 63 Cb 0.81 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1pba h ALA 63 CO 0.00 0.46 -0.30 0.28 0.00 0.00 0.00 179.25 179.68 1pba h VAL 64 N 0.77 0.30 -0.24 0.00 2.07 -1.89 0.48 116.25 117.74 1pba h VAL 64 Ca 0.16 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1pba h VAL 64 Cb 0.43 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1pba h VAL 64 CO 0.01 0.02 -0.13 -0.33 0.02 0.00 0.00 177.57 177.16 1pba h GLU 65 N -1.00 -0.11 0.50 1.57 5.08 -1.81 0.11 114.58 118.92 1pba h GLU 65 Ca -0.09 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1pba h GLU 65 Cb 0.69 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1pba h GLU 65 CO 0.14 -0.07 -0.47 0.22 -1.00 0.00 0.00 179.01 177.84 1pba h ASP 66 N -0.11 -1.27 -0.99 1.42 3.58 -0.12 0.58 116.42 119.52 1pba h ASP 66 Ca 0.13 0.10 0.33 0.00 0.42 0.00 0.00 57.03 58.01 1pba h ASP 66 Cb 0.31 0.41 -0.16 0.00 1.72 0.00 0.00 39.33 41.61 1pba h ASP 66 CO -0.31 -0.63 0.50 0.15 -2.88 0.00 0.00 179.24 176.08 1pba h PHE 67 N -0.95 0.80 0.00 0.28 3.04 0.39 0.41 116.94 120.91 1pba h PHE 67 Ca -0.06 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1pba h PHE 67 Cb 0.82 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.14 1pba h PHE 67 CO -0.22 -0.26 0.00 1.28 -2.02 0.00 0.00 178.31 177.09 1pba n LEU 68 N -5.14 0.91 -0.25 0.59 4.77 0.33 -4.24 117.00 113.98 1pba n LEU 68 Ca 0.31 0.35 0.02 0.00 -0.03 0.00 0.00 56.01 56.67 1pba n LEU 68 Cb 1.00 -0.35 0.11 0.00 -2.33 0.00 0.00 43.42 41.85 1pba n LEU 68 CO 0.07 -0.35 0.75 -0.33 -1.33 0.00 0.00 177.39 176.20 1pba h GLU 69 N 0.00 0.03 -0.95 3.23 3.07 0.33 0.13 114.58 120.42 1pba h GLU 69 Ca 0.00 -0.00 0.40 0.00 -0.50 0.00 0.00 59.36 59.25 1pba h GLU 69 Cb 0.00 -0.01 -0.17 0.00 -0.84 0.00 0.00 28.75 27.73 1pba h GLU 69 CO 0.00 0.02 0.50 1.04 -1.40 0.00 0.00 179.01 179.17 1pba n GLN 70 N -5.44 -0.06 -2.19 2.33 1.13 0.14 0.10 117.38 113.40 1pba n GLN 70 Ca 0.11 1.31 -0.20 0.00 -1.94 0.00 0.00 57.00 56.28 1pba n GLN 70 Cb 0.41 -2.35 0.02 0.00 0.11 0.00 0.00 30.24 28.43 1pba n GLN 70 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1pba n ASN 71 N -5.15 4.33 -3.03 1.08 3.02 -0.06 -5.00 115.26 110.45 1pba n ASN 71 Ca 0.36 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1pba n ASN 71 Cb 1.22 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 1pba n ASN 71 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1pba n GLU 72 N -0.67 -0.61 -1.22 3.52 0.00 0.12 -4.84 120.64 116.93 1pba n GLU 72 Ca 0.37 -0.30 -0.30 0.00 0.00 0.00 0.00 57.16 56.93 1pba n GLU 72 Cb 0.92 0.54 0.22 0.00 0.00 0.00 0.00 31.44 33.12 1pba n GLU 72 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1pba s LEU 73 N -3.57 1.16 -1.16 -1.84 2.96 -0.97 -4.93 118.68 110.33 1pba s LEU 73 Ca 0.00 0.70 -0.14 0.00 -0.22 0.00 0.00 54.13 54.48 1pba s LEU 73 Cb 0.00 -2.58 0.18 0.00 0.50 0.00 0.00 46.19 44.29 1pba s LEU 73 CO 0.00 -3.70 1.35 -1.10 -1.32 0.00 0.00 176.35 171.59 1pba s GLN 74 N -5.38 4.05 0.42 1.98 -1.52 -1.26 -4.92 119.66 113.03 1pba s GLN 74 Ca 0.70 -2.58 0.05 0.00 -1.95 0.00 0.00 55.36 51.59 1pba s GLN 74 Cb -0.11 -4.98 -0.06 0.00 -0.22 0.00 0.00 33.01 27.64 1pba s GLN 74 CO 0.56 -1.70 0.02 1.52 -0.25 0.00 0.00 175.29 175.44 1pba s TYR 75 N 1.32 2.31 0.13 0.91 1.13 -1.26 0.04 117.35 121.93 1pba s TYR 75 Ca 0.40 -0.78 0.06 0.00 -1.41 0.00 0.00 57.07 55.34 1pba s TYR 75 Cb -0.04 -1.67 -0.04 0.00 -1.10 0.00 0.00 41.96 39.11 1pba s TYR 75 CO -0.02 0.33 -0.15 -1.21 -2.51 0.00 0.00 175.55 171.99 1pba s GLU 76 N -3.76 1.07 -0.39 -3.49 2.02 0.27 -4.89 118.70 109.53 1pba s GLU 76 Ca 0.29 -1.27 0.05 0.00 0.02 0.00 0.00 54.97 54.07 1pba s GLU 76 Cb 0.08 -0.99 0.44 0.00 0.10 0.00 0.00 34.13 33.76 1pba s GLU 76 CO 0.15 0.19 1.21 0.28 0.02 0.00 0.00 175.26 177.11 1pba n VAL 77 N 0.50 2.53 0.00 2.63 0.31 -1.26 -3.34 118.33 119.70 1pba n VAL 77 Ca -0.15 -4.51 0.00 0.00 -0.01 0.00 0.00 64.34 59.66 1pba n VAL 77 Cb 0.57 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1pba n VAL 77 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1pba n LEU 78 N -0.60 0.00 -3.22 7.52 4.77 -1.26 -1.07 117.00 123.14 1pba n LEU 78 Ca 0.43 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 56.08 1pba n LEU 78 Cb 0.79 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 1pba n LEU 78 CO 0.38 0.00 3.04 2.30 -1.33 0.00 0.00 177.39 181.78 1pba n ILE 79 N 0.00 3.72 -1.16 -0.08 -5.35 -1.26 -4.56 119.36 110.68 1pba n ILE 79 Ca 0.00 -2.21 -0.21 0.00 -0.27 0.00 0.00 62.75 60.06 1pba n ILE 79 Cb 0.00 -2.45 -0.01 0.00 -1.74 0.00 0.00 39.64 35.44 1pba n ILE 79 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1pba n ASN 80 N 3.71 6.48 0.00 7.28 5.15 -0.23 -5.17 115.26 132.47 1pba n ASN 80 Ca 0.67 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 51.52 1pba n ASN 80 Cb 0.23 -1.14 0.00 0.00 -0.53 0.00 0.00 39.78 38.34 1pba n ASN 80 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46