#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 -1.49 4.41 -0.00 -1.26 -4.50 115.22 112.39 1pba n HIS 2 Ca 0.00 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.92 1pba n HIS 2 Cb 0.00 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 29.97 1pba n HIS 2 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1pba n SER 3 N 2.28 5.66 0.00 0.26 7.64 -1.26 -5.00 113.62 123.20 1pba n SER 3 Ca 0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 1pba n SER 3 Cb 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1pba n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pba n GLY 4 N -0.94 2.33 2.79 0.23 0.00 -1.26 -4.81 105.19 103.53 1pba n GLY 4 Ca 0.54 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1pba n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pba n GLU 5 N 1.64 3.82 -1.38 1.61 -0.58 -1.26 0.30 120.64 124.79 1pba n GLU 5 Ca 0.00 -4.06 -0.26 0.00 -0.42 0.00 0.00 57.16 52.43 1pba n GLU 5 Cb 0.00 -2.34 -0.08 0.00 -0.57 0.00 0.00 31.44 28.44 1pba n GLU 5 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1pba n HIS 6 N -0.35 1.34 -3.22 -0.32 8.25 -1.26 -4.48 115.22 115.18 1pba n HIS 6 Ca 0.50 -2.11 -0.24 0.00 -0.26 0.00 0.00 57.72 55.61 1pba n HIS 6 Cb 0.27 -1.70 -0.07 0.00 1.12 0.00 0.00 29.99 29.61 1pba n HIS 6 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1pba n PHE 7 N 1.97 -0.68 -4.47 4.41 7.35 -1.26 -5.02 117.46 119.76 1pba n PHE 7 Ca 0.54 -3.39 -0.24 0.00 -0.76 0.00 0.00 57.45 53.59 1pba n PHE 7 Cb 0.58 -0.09 -0.10 0.00 0.35 0.00 0.00 39.48 40.22 1pba n PHE 7 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1pba s GLU 8 N -0.75 1.74 0.00 -4.13 -6.30 -1.26 -5.09 118.70 102.90 1pba s GLU 8 Ca 0.34 -1.77 0.00 0.00 -2.50 0.00 0.00 54.97 51.04 1pba s GLU 8 Cb 0.14 -1.78 0.00 0.00 0.00 0.00 0.00 34.13 32.48 1pba s GLU 8 CO -0.14 0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.86 1pba n GLY 9 N -0.66 2.86 3.22 -1.50 0.00 -1.26 -4.89 105.19 102.96 1pba n GLY 9 Ca -0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.57 1pba n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pba s GLU 10 N 3.12 0.97 0.14 1.61 2.12 -1.26 -1.37 118.70 124.03 1pba s GLU 10 Ca 0.00 -1.21 -0.25 0.00 0.36 0.00 0.00 54.97 53.87 1pba s GLU 10 Cb 0.00 -0.81 0.08 0.00 0.26 0.00 0.00 34.13 33.66 1pba s GLU 10 CO 0.00 0.15 1.03 -1.59 -0.54 0.00 0.00 175.26 174.31 1pba s LYS 11 N -2.68 1.10 -0.07 4.30 -2.85 -1.23 -5.01 119.74 113.30 1pba s LYS 11 Ca 0.08 -0.64 0.02 0.00 -1.00 0.00 0.00 55.97 54.43 1pba s LYS 11 Cb -0.04 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.06 1pba s LYS 11 CO 0.02 -0.51 -0.13 0.08 0.10 0.00 0.00 175.35 174.91 1pba s VAL 12 N -2.87 3.14 0.43 1.79 1.01 -1.26 -3.34 120.40 119.30 1pba s VAL 12 Ca 0.15 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1pba s VAL 12 Cb -0.01 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.04 1pba s VAL 12 CO 0.02 0.57 0.02 -0.36 0.00 0.00 0.00 175.10 175.36 1pba s PHE 13 N -0.43 2.42 0.23 5.22 0.40 -0.88 -1.69 117.98 123.24 1pba s PHE 13 Ca 0.05 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1pba s PHE 13 Cb -0.12 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1pba s PHE 13 CO 0.02 0.39 0.15 1.03 0.70 0.00 0.00 175.22 177.51 1pba s ARG 14 N -3.75 1.33 0.00 0.44 0.52 0.73 -2.82 118.95 115.40 1pba s ARG 14 Ca 0.31 -1.72 -0.07 0.00 -0.52 0.00 0.00 55.73 53.74 1pba s ARG 14 Cb 0.08 0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.75 1pba s ARG 14 CO 0.16 -0.42 0.12 0.08 0.02 0.00 0.00 175.30 175.26 1pba s VAL 15 N -3.98 0.08 -0.26 3.52 1.01 -0.06 -2.69 120.40 118.02 1pba s VAL 15 Ca 0.39 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1pba s VAL 15 Cb 0.06 -0.41 0.07 0.00 0.00 0.00 0.00 36.38 36.10 1pba s VAL 15 CO 0.15 -0.38 -0.06 0.21 0.00 0.00 0.00 175.10 175.02 1pba s ASN 16 N -1.34 4.29 -1.23 3.32 2.47 0.04 -3.04 114.94 119.44 1pba s ASN 16 Ca -0.14 -1.44 -0.20 0.00 0.42 0.00 0.00 52.86 51.50 1pba s ASN 16 Cb -0.08 -1.42 -0.01 0.00 -1.45 0.00 0.00 41.25 38.29 1pba s ASN 16 CO 0.01 -0.24 1.86 0.52 -3.72 0.00 0.00 177.10 175.53 1pba n VAL 17 N 4.50 2.92 -0.08 -5.21 0.31 -0.55 -4.65 118.33 115.57 1pba n VAL 17 Ca -0.11 -3.00 -0.13 0.00 -0.01 0.00 0.00 64.34 61.10 1pba n VAL 17 Cb 0.43 -2.28 -0.05 0.00 -0.91 0.00 0.00 33.84 31.03 1pba n VAL 17 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1pba h GLU 18 N 8.48 0.53 0.00 5.55 4.39 -1.87 0.15 114.58 131.80 1pba h GLU 18 Ca 0.35 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1pba h GLU 18 Cb 0.88 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1pba h GLU 18 CO 1.39 0.82 0.00 -0.40 -1.16 0.00 0.00 179.01 179.67 1pba n ASP 19 N -4.44 0.30 0.10 1.42 5.75 -1.26 -4.18 116.55 114.23 1pba n ASP 19 Ca -0.04 -0.46 -0.16 0.00 -0.01 0.00 0.00 54.79 54.12 1pba n ASP 19 Cb 0.38 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.33 1pba n ASP 19 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1pba h GLU 20 N 0.00 0.27 -0.69 0.11 3.07 -1.96 -3.27 114.58 112.11 1pba h GLU 20 Ca 0.00 -0.46 0.15 0.00 -0.50 0.00 0.00 59.36 58.55 1pba h GLU 20 Cb 0.00 0.17 -0.11 0.00 -0.84 0.00 0.00 28.75 27.97 1pba h GLU 20 CO 0.00 1.22 0.06 -0.97 -1.40 0.00 0.00 179.01 177.92 1pba h ASN 21 N 0.08 -0.19 0.01 1.42 -1.24 -1.98 0.23 115.58 113.91 1pba h ASN 21 Ca -0.13 0.16 0.01 0.00 0.71 0.00 0.00 56.30 57.05 1pba h ASN 21 Cb 1.97 0.26 -0.02 0.00 0.73 0.00 0.00 38.32 41.26 1pba h ASN 21 CO 0.20 -0.10 -0.09 -0.78 -1.29 0.00 0.00 177.43 175.37 1pba h ASP 22 N 0.17 -0.26 -0.28 1.15 3.58 -1.95 0.80 116.42 119.62 1pba h ASP 22 Ca 0.37 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.87 1pba h ASP 22 Cb 0.63 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 1pba h ASP 22 CO -0.55 -0.14 0.16 0.40 -2.88 0.00 0.00 179.24 176.24 1pba h ILE 23 N -0.17 1.02 0.16 2.25 2.04 -1.31 0.78 117.51 122.28 1pba h ILE 23 Ca 0.03 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1pba h ILE 23 Cb 0.20 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1pba h ILE 23 CO -0.09 0.06 -0.08 0.28 0.00 0.00 0.00 178.15 178.33 1pba h SER 24 N 0.33 -0.18 -0.90 1.72 0.02 -0.33 -0.35 113.55 113.86 1pba h SER 24 Ca 0.11 0.01 0.27 0.00 -0.84 0.00 0.00 61.79 61.34 1pba h SER 24 Cb 0.00 0.05 -0.17 0.00 0.14 0.00 0.00 62.40 62.42 1pba h SER 24 CO -0.06 -0.11 0.10 -0.62 -1.14 0.00 0.00 176.83 175.01 1pba n GLU 25 N -2.67 -0.07 0.08 3.45 1.02 0.28 0.20 120.64 122.93 1pba n GLU 25 Ca -0.03 1.33 -0.13 0.00 -0.02 0.00 0.00 57.16 58.32 1pba n GLU 25 Cb 0.08 -2.16 -0.07 0.00 -0.02 0.00 0.00 31.44 29.27 1pba n GLU 25 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1pba h LEU 26 N 0.00 -0.11 -0.06 -4.62 5.85 -0.74 0.11 115.31 115.74 1pba h LEU 26 Ca 0.59 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.35 1pba h LEU 26 Cb 1.29 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.29 1pba h LEU 26 CO -0.82 -0.07 -0.36 0.45 -0.34 0.00 0.00 178.44 177.30 1pba h HIS 27 N -0.11 -1.01 -0.89 1.25 3.86 0.41 0.57 115.15 119.22 1pba h HIS 27 Ca -0.01 0.04 0.22 0.00 -1.16 0.00 0.00 60.37 59.46 1pba h HIS 27 Cb 0.10 0.45 -0.12 0.00 1.06 0.00 0.00 27.41 28.90 1pba h HIS 27 CO -0.08 -0.44 0.40 0.93 0.86 0.00 0.00 177.93 179.59 1pba h GLU 28 N -0.48 0.40 0.00 2.45 4.39 -0.57 0.27 114.58 121.05 1pba h GLU 28 Ca 0.07 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1pba h GLU 28 Cb 0.59 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1pba h GLU 28 CO -0.33 0.27 0.00 1.25 -1.16 0.00 0.00 179.01 179.04 1pba h LEU 29 N 0.42 0.00 -3.44 1.33 5.85 0.14 -3.32 115.31 116.28 1pba h LEU 29 Ca 0.55 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.19 1pba h LEU 29 Cb 1.04 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1pba h LEU 29 CO -0.52 0.00 -0.16 0.00 -0.34 0.00 0.00 178.44 177.42 1pba n ALA 30 N -2.02 4.99 0.17 1.25 0.00 0.18 -2.86 120.51 122.22 1pba n ALA 30 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1pba n ALA 30 Cb 0.48 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1pba n ALA 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pba n SER 31 N 1.93 -1.68 -0.05 0.00 3.41 -1.25 -4.93 113.62 111.05 1pba n SER 31 Ca 0.18 0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 59.31 1pba n SER 31 Cb 0.68 1.71 -0.04 0.00 -0.26 0.00 0.00 64.21 66.29 1pba n SER 31 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1pba h THR 32 N 0.00 1.14 -2.51 6.66 1.35 -1.73 -3.44 112.91 114.38 1pba h THR 32 Ca 0.00 -0.40 -0.44 0.00 -0.55 0.00 0.00 66.41 65.01 1pba h THR 32 Cb 0.00 1.03 0.04 0.00 -1.73 0.00 0.00 68.15 67.49 1pba h THR 32 CO 0.00 0.13 -0.07 -0.60 -0.25 0.00 0.00 175.52 174.73 1pba s ARG 33 N -5.69 2.73 -0.43 4.72 6.06 -1.14 -5.02 118.95 120.18 1pba s ARG 33 Ca -0.13 -0.72 0.05 0.00 -2.50 0.00 0.00 55.73 52.42 1pba s ARG 33 Cb 0.08 -2.53 0.43 0.00 0.06 0.00 0.00 34.95 32.99 1pba s ARG 33 CO 0.70 -0.53 1.29 1.04 -2.50 0.00 0.00 175.30 175.30 1pba n GLN 34 N -2.22 3.39 -2.30 5.12 6.02 -1.26 -4.78 117.38 121.35 1pba n GLN 34 Ca 0.06 -4.20 -0.41 0.00 -0.01 0.00 0.00 57.00 52.43 1pba n GLN 34 Cb 0.59 -2.27 -0.03 0.00 1.02 0.00 0.00 30.24 29.55 1pba n GLN 34 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1pba s ILE 35 N -5.08 3.46 0.19 5.09 -4.36 -1.26 -4.81 121.20 114.43 1pba s ILE 35 Ca 0.51 1.17 0.04 0.00 -0.26 0.00 0.00 60.65 62.11 1pba s ILE 35 Cb 0.42 -3.75 -0.03 0.00 1.25 0.00 0.00 42.46 40.34 1pba s ILE 35 CO -0.11 0.16 0.25 1.51 0.24 0.00 0.00 174.94 176.99 1pba s ASP 36 N 0.44 5.99 0.20 4.36 -4.77 -0.88 -4.88 116.67 117.13 1pba s ASP 36 Ca 0.56 0.00 0.07 0.00 -3.30 0.00 0.00 52.55 49.88 1pba s ASP 36 Cb -0.34 -1.70 -0.04 0.00 -1.09 0.00 0.00 42.92 39.75 1pba s ASP 36 CO 0.35 0.01 0.09 -0.36 0.70 0.00 0.00 175.17 175.97 1pba s PHE 37 N -1.87 2.99 0.00 2.11 0.40 -1.26 -0.04 117.98 120.31 1pba s PHE 37 Ca 0.33 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.51 1pba s PHE 37 Cb -0.10 -1.41 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 1pba s PHE 37 CO 0.27 0.53 -0.11 1.87 0.70 0.00 0.00 175.22 178.48 1pba n TRP 38 N -0.50 0.00 -4.34 0.36 -0.00 -0.86 -4.91 117.44 107.18 1pba n TRP 38 Ca -0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.18 1pba n TRP 38 Cb 0.56 -0.15 -0.12 0.00 -0.00 0.00 0.00 31.31 31.60 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 -2.14 1.28 -0.12 5.87 1.02 -1.25 -4.84 119.74 119.56 1pba s LYS 39 Ca -0.09 -1.36 -0.11 0.00 0.02 0.00 0.00 55.97 54.44 1pba s LYS 39 Cb 0.01 -1.47 -0.26 0.00 -0.52 0.00 0.00 37.83 35.59 1pba s LYS 39 CO 0.13 0.32 0.40 -1.00 -0.92 0.00 0.00 175.35 174.28 1pba h PRO 40 N 3.51 0.24 0.00 -1.68 0.13 -1.89 0.24 132.00 132.55 1pba h PRO 40 Ca -0.45 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 1pba h PRO 40 Cb 1.20 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1pba h PRO 40 CO 0.46 1.19 0.00 -0.25 -0.23 0.00 0.00 178.00 179.18 1pba n ASP 41 N -3.70 0.00 -2.72 1.44 8.00 -1.26 -5.04 116.55 113.27 1pba n ASP 41 Ca -0.30 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.12 1pba n ASP 41 Cb 0.98 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 42.17 1pba n ASP 41 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pba n SER 42 N 0.00 -2.11 -4.04 -2.24 7.64 -1.26 -4.61 113.62 107.00 1pba n SER 42 Ca 0.00 -3.25 -0.33 0.00 1.01 0.00 0.00 58.87 56.29 1pba n SER 42 Cb 0.00 1.70 -0.03 0.00 -1.01 0.00 0.00 64.21 64.87 1pba n SER 42 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1pba n VAL 43 N 0.25 -0.71 -0.02 0.44 3.14 -1.26 -4.83 118.33 115.35 1pba n VAL 43 Ca 0.03 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.38 1pba n VAL 43 Cb 0.72 -1.32 -0.01 0.00 -1.06 0.00 0.00 33.84 32.17 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 -4.11 0.45 -2.67 1.55 -2.24 -1.26 -4.81 114.28 101.19 1pba n THR 44 Ca 0.07 0.32 -0.25 0.00 -2.27 0.00 0.00 64.05 61.92 1pba n THR 44 Cb 0.49 -1.62 -0.01 0.00 -2.10 0.00 0.00 70.33 67.08 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 -3.04 3.10 -3.40 -0.78 3.00 -1.26 -5.06 117.38 109.94 1pba n GLN 45 Ca -0.03 -4.48 -0.38 0.00 -0.01 0.00 0.00 57.00 52.10 1pba n GLN 45 Cb 0.12 -2.15 -0.06 0.00 0.00 0.00 0.00 30.24 28.16 1pba n GLN 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1pba s ILE 46 N -4.89 4.90 0.33 5.09 1.01 -1.26 -5.04 121.20 121.34 1pba s ILE 46 Ca 0.46 0.99 0.10 0.00 0.00 0.00 0.00 60.65 62.20 1pba s ILE 46 Cb 0.36 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 1pba s ILE 46 CO -0.15 0.54 -0.09 -1.59 0.00 0.00 0.00 174.94 173.65 1pba s LYS 47 N -1.16 1.85 0.37 2.79 -2.85 -1.26 -5.05 119.74 114.43 1pba s LYS 47 Ca 0.27 -1.88 -0.27 0.00 -1.00 0.00 0.00 55.97 53.08 1pba s LYS 47 Cb -0.18 -1.75 -0.11 0.00 -2.06 0.00 0.00 37.83 33.73 1pba s LYS 47 CO 0.16 0.17 1.34 -0.35 0.10 0.00 0.00 175.35 176.77 1pba n PRO 48 N -0.80 2.22 -2.02 1.78 -0.04 -1.26 -3.69 135.00 131.19 1pba n PRO 48 Ca -0.05 0.78 -0.03 0.00 -0.04 0.00 0.00 63.50 64.16 1pba n PRO 48 Cb 0.63 -2.43 0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1pba n PRO 48 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pba n HIS 49 N 0.24 -0.45 -3.66 0.54 8.25 0.52 -5.04 115.22 115.62 1pba n HIS 49 Ca 0.04 0.17 -0.10 0.00 -0.26 0.00 0.00 57.72 57.57 1pba n HIS 49 Cb 0.38 -2.72 -0.04 0.00 1.12 0.00 0.00 29.99 28.73 1pba n HIS 49 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pba s SER 50 N -3.15 -0.31 0.00 0.41 1.04 -1.23 -5.04 113.70 105.42 1pba s SER 50 Ca 0.05 -0.36 0.08 0.00 0.48 0.00 0.00 55.95 56.20 1pba s SER 50 Cb -0.01 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1pba s SER 50 CO 0.14 -1.00 -0.26 -0.89 0.98 0.00 0.00 173.24 172.21 1pba s THR 51 N -3.84 2.06 0.11 2.02 2.01 -1.26 -1.48 115.64 115.27 1pba s THR 51 Ca 0.06 -1.19 -0.08 0.00 0.31 0.00 0.00 61.69 60.78 1pba s THR 51 Cb -0.00 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 70.77 1pba s THR 51 CO -0.07 0.51 0.21 0.68 -0.69 0.00 0.00 174.62 175.26 1pba s VAL 52 N -0.67 0.12 0.10 3.82 -7.23 -1.17 -4.19 120.40 111.19 1pba s VAL 52 Ca 0.10 -1.25 -0.08 0.00 -1.81 0.00 0.00 61.98 58.94 1pba s VAL 52 Cb -0.10 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 1pba s VAL 52 CO -0.00 -0.56 0.19 1.51 -0.31 0.00 0.00 175.10 175.93 1pba s ASP 53 N -2.89 0.13 0.22 4.85 -4.77 0.84 -0.88 116.67 114.17 1pba s ASP 53 Ca 0.08 -0.72 -0.08 0.00 -3.30 0.00 0.00 52.55 48.53 1pba s ASP 53 Cb 0.05 0.35 -0.02 0.00 -1.09 0.00 0.00 42.92 42.21 1pba s ASP 53 CO -0.08 -0.75 0.34 0.72 0.70 0.00 0.00 175.17 176.10 1pba s PHE 54 N -3.89 0.65 -0.02 2.11 -0.71 -1.13 -2.04 117.98 112.96 1pba s PHE 54 Ca 0.07 -0.96 0.05 0.00 -1.04 0.00 0.00 56.93 55.05 1pba s PHE 54 Cb 0.05 -0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 1pba s PHE 54 CO -0.09 -0.85 -0.16 0.50 -1.34 0.00 0.00 175.22 173.28 1pba s ARG 55 N -4.07 1.39 -0.02 1.99 3.52 0.94 -2.08 118.95 120.62 1pba s ARG 55 Ca 0.28 -0.58 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1pba s ARG 55 Cb 0.02 -1.31 -0.03 0.00 -1.56 0.00 0.00 34.95 32.07 1pba s ARG 55 CO 0.09 0.32 -0.10 0.08 -0.81 0.00 0.00 175.30 174.88 1pba s VAL 56 N -0.29 3.37 -0.63 7.11 1.01 -1.21 -2.08 120.40 127.68 1pba s VAL 56 Ca 0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1pba s VAL 56 Cb -0.07 -2.41 0.16 0.00 0.00 0.00 0.00 36.38 34.06 1pba s VAL 56 CO -0.00 0.47 0.43 -1.59 0.00 0.00 0.00 175.10 174.41 1pba s LYS 57 N -1.14 2.48 0.00 2.72 -2.85 -1.26 -3.55 119.74 116.14 1pba s LYS 57 Ca 0.14 -2.71 0.00 0.00 -1.00 0.00 0.00 55.97 52.40 1pba s LYS 57 Cb -0.11 -3.62 0.00 0.00 -2.06 0.00 0.00 37.83 32.04 1pba s LYS 57 CO 0.04 -1.18 0.00 0.00 0.10 0.00 0.00 175.35 174.32 1pba n ALA 58 N 3.13 -0.38 -2.94 0.59 0.00 -0.47 -4.74 120.51 115.70 1pba n ALA 58 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1pba n ALA 58 Cb 0.36 -0.24 0.01 0.00 0.00 0.00 0.00 19.45 19.58 1pba n ALA 58 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1pba n GLU 59 N -1.14 4.43 -3.90 0.00 0.28 -1.26 -4.66 120.64 114.39 1pba n GLU 59 Ca 0.00 -4.47 -0.35 0.00 -0.16 0.00 0.00 57.16 52.18 1pba n GLU 59 Cb 0.19 -2.55 0.01 0.00 1.43 0.00 0.00 31.44 30.53 1pba n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1pba n ASP 60 N 1.51 -3.49 0.10 -1.84 2.03 -1.26 -4.76 116.55 108.84 1pba n ASP 60 Ca 0.27 -1.12 0.05 0.00 0.52 0.00 0.00 54.79 54.51 1pba n ASP 60 Cb 0.33 -2.66 0.50 0.00 -0.72 0.00 0.00 41.12 38.57 1pba n ASP 60 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1pba h ILE 61 N -2.11 1.08 -0.87 5.18 2.04 -1.91 -2.33 117.51 118.58 1pba h ILE 61 Ca -0.67 -0.18 0.15 0.00 1.00 0.00 0.00 64.86 65.15 1pba h ILE 61 Cb 1.38 0.75 -0.15 0.00 -0.74 0.00 0.00 36.82 38.06 1pba h ILE 61 CO 0.54 0.08 -0.35 -0.07 0.00 0.00 0.00 178.15 178.35 1pba h LEU 62 N 0.32 -1.27 -0.90 1.44 4.07 -1.98 0.60 115.31 117.60 1pba h LEU 62 Ca 0.09 0.28 0.21 0.00 0.08 0.00 0.00 57.88 58.53 1pba h LEU 62 Cb 0.00 0.68 -0.12 0.00 1.08 0.00 0.00 40.66 42.30 1pba h LEU 62 CO -0.02 -0.29 0.43 0.00 -1.08 0.00 0.00 178.44 177.48 1pba h ALA 63 N 1.36 1.44 -0.30 1.53 0.00 -1.75 0.59 119.26 122.12 1pba h ALA 63 Ca 0.33 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 1pba h ALA 63 Cb 0.60 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1pba h ALA 63 CO -0.90 -0.27 -0.04 0.28 0.00 0.00 0.00 179.25 178.32 1pba h VAL 64 N 0.48 1.27 0.69 0.00 2.07 0.02 0.18 116.25 120.96 1pba h VAL 64 Ca 0.55 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1pba h VAL 64 Cb 0.99 1.33 0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1pba h VAL 64 CO -0.48 0.33 -0.33 -0.33 0.02 0.00 0.00 177.57 176.78 1pba h GLU 65 N 0.34 -0.89 -0.51 1.57 5.08 0.57 -0.08 114.58 120.66 1pba h GLU 65 Ca 0.08 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.61 1pba h GLU 65 Cb 0.50 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.85 1pba h GLU 65 CO 0.02 -0.59 -0.16 -0.44 -1.00 0.00 0.00 179.01 176.85 1pba h ASP 66 N -0.96 -0.57 -0.76 1.42 3.32 0.07 0.68 116.42 119.62 1pba h ASP 66 Ca -0.09 0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.20 1pba h ASP 66 Cb 0.72 0.35 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 1pba h ASP 66 CO 0.16 -0.20 0.50 0.15 -1.72 0.00 0.00 179.24 178.13 1pba h PHE 67 N -0.04 0.78 0.00 4.55 3.57 -0.40 0.31 116.94 125.71 1pba h PHE 67 Ca 0.25 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 1pba h PHE 67 Cb 0.41 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1pba h PHE 67 CO -0.46 0.39 -1.06 -0.07 -2.23 0.00 0.00 178.31 174.88 1pba h LEU 68 N 0.75 0.00 0.04 0.59 3.38 0.13 -3.37 115.31 116.82 1pba h LEU 68 Ca 0.34 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.97 1pba h LEU 68 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1pba h LEU 68 CO -0.12 0.39 -1.89 1.21 0.09 0.00 0.00 178.44 178.11 1pba n GLU 69 N -2.91 0.64 -0.31 1.13 4.07 0.21 -0.06 120.64 123.41 1pba n GLU 69 Ca -0.04 0.37 0.35 0.00 -0.06 0.00 0.00 57.16 57.77 1pba n GLU 69 Cb 0.73 -1.66 0.75 0.00 -0.06 0.00 0.00 31.44 31.20 1pba n GLU 69 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1pba h GLN 70 N -0.54 0.00 0.00 5.31 4.20 -0.60 0.29 115.11 123.76 1pba h GLN 70 Ca -0.47 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 1pba h GLN 70 Cb 1.66 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.42 1pba h GLN 70 CO -0.15 0.00 -0.26 0.27 -0.67 0.00 0.00 178.83 178.03 1pba n ASN 71 N -4.19 1.88 -3.54 1.46 0.23 -1.26 -5.00 115.26 104.84 1pba n ASN 71 Ca 0.25 -3.22 -0.15 0.00 -0.53 0.00 0.00 54.58 50.93 1pba n ASN 71 Cb 1.22 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 38.49 1pba n ASN 71 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1pba n GLU 72 N -1.12 -0.68 -1.69 -3.83 2.13 0.10 -4.64 120.64 110.91 1pba n GLU 72 Ca 0.15 -0.08 -0.39 0.00 0.66 0.00 0.00 57.16 57.50 1pba n GLU 72 Cb 0.69 -0.54 -0.04 0.00 0.27 0.00 0.00 31.44 31.82 1pba n GLU 72 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1pba n LEU 73 N -2.08 4.39 -0.73 4.31 7.94 0.92 -4.68 117.00 127.07 1pba n LEU 73 Ca -0.07 -3.32 0.00 0.00 -1.11 0.00 0.00 56.01 51.51 1pba n LEU 73 Cb 0.24 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.72 1pba n LEU 73 CO 0.27 -0.45 0.00 0.00 -1.11 0.00 0.00 177.39 176.10 1pba n GLN 74 N 7.39 -0.12 -4.39 1.96 1.13 -1.26 -4.74 117.38 117.34 1pba n GLN 74 Ca 0.49 -0.06 -0.20 0.00 -1.94 0.00 0.00 57.00 55.29 1pba n GLN 74 Cb 0.43 0.11 -0.10 0.00 0.11 0.00 0.00 30.24 30.79 1pba n GLN 74 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1pba s TYR 75 N -0.82 1.74 0.32 1.08 1.13 -1.26 -0.78 117.35 118.76 1pba s TYR 75 Ca 0.00 -1.13 -0.04 0.00 -1.41 0.00 0.00 57.07 54.48 1pba s TYR 75 Cb 0.00 -1.07 0.00 0.00 -1.10 0.00 0.00 41.96 39.79 1pba s TYR 75 CO 0.00 -0.22 0.46 -1.83 -2.51 0.00 0.00 175.55 171.45 1pba s GLU 76 N -3.92 1.82 0.38 -3.49 1.03 -1.10 -4.95 118.70 108.49 1pba s GLU 76 Ca 0.35 -1.66 0.06 0.00 0.03 0.00 0.00 54.97 53.75 1pba s GLU 76 Cb 0.07 0.44 0.00 0.00 -0.80 0.00 0.00 34.13 33.84 1pba s GLU 76 CO 0.15 -0.75 0.54 0.08 -1.33 0.00 0.00 175.26 173.94 1pba s VAL 77 N -3.25 3.62 -0.85 1.83 1.01 -1.26 -0.19 120.40 121.31 1pba s VAL 77 Ca 0.29 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.06 1pba s VAL 77 Cb -0.00 -3.25 -0.26 0.00 0.00 0.00 0.00 36.38 32.86 1pba s VAL 77 CO 0.18 -0.11 1.99 -0.11 0.00 0.00 0.00 175.10 177.05 1pba n LEU 78 N -1.78 1.19 -0.51 3.92 0.00 -0.68 -4.19 117.00 114.94 1pba n LEU 78 Ca 0.03 -2.27 0.08 0.00 0.00 0.00 0.00 56.01 53.86 1pba n LEU 78 Cb 0.58 -1.47 0.03 0.00 0.00 0.00 0.00 43.42 42.57 1pba n LEU 78 CO 0.41 -3.32 0.37 -0.38 0.00 0.00 0.00 177.39 174.48 1pba n ILE 79 N 8.61 0.00 -3.65 1.96 5.41 -1.26 -4.93 119.36 125.50 1pba n ILE 79 Ca 0.41 -0.40 -0.02 0.00 1.00 0.00 0.00 62.75 63.74 1pba n ILE 79 Cb 0.46 1.27 -0.04 0.00 -0.71 0.00 0.00 39.64 40.61 1pba n ILE 79 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1pba s ASN 80 N -1.72 -0.02 0.00 4.38 3.84 -1.26 -5.27 114.94 114.89 1pba s ASN 80 Ca 0.16 0.02 0.18 0.00 0.21 0.00 0.00 52.86 53.43 1pba s ASN 80 Cb 0.14 0.02 0.14 0.00 -0.55 0.00 0.00 41.25 41.00 1pba s ASN 80 CO 0.33 -0.02 1.06 -3.20 -2.79 0.00 0.00 177.10 172.48