#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pba s HIS 2 N 0.00 2.58 0.01 -1.40 0.09 -1.26 -5.08 115.29 110.23 1pba s HIS 2 Ca 0.00 -0.59 -0.02 0.00 -0.00 0.00 0.00 55.06 54.44 1pba s HIS 2 Cb 0.00 -1.97 -0.01 0.00 -0.00 0.00 0.00 32.58 30.60 1pba s HIS 2 CO 0.00 0.15 -0.04 -1.13 -0.00 0.00 0.00 174.74 173.72 1pba n SER 3 N -1.27 0.60 0.00 1.40 3.41 -1.26 -5.06 113.62 111.44 1pba n SER 3 Ca -0.01 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1pba n SER 3 Cb 0.64 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1pba n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pba n GLY 4 N 2.97 0.49 0.00 5.00 0.00 -1.26 -5.15 105.19 107.24 1pba n GLY 4 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1pba n GLY 4 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pba n GLU 5 N 0.00 2.23 0.00 1.61 0.00 -1.26 -5.12 120.64 118.11 1pba n GLU 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1pba n GLU 5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1pba n GLU 5 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1pba n HIS 6 N 0.00 0.00 0.00 4.31 8.25 -1.26 -5.11 115.22 121.41 1pba n HIS 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1pba n HIS 6 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 0.00 0.09 4.41 7.35 -1.26 -5.05 117.46 123.00 1pba n PHE 7 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1pba n PHE 7 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1pba n PHE 7 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1pba n GLU 8 N -2.05 0.00 0.02 -4.13 1.02 -1.26 -5.04 120.64 109.20 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 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 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 2.68 -0.02 0.64 0.62 0.00 -1.26 -4.67 105.19 103.18 1pba n GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pba n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pba n GLU 10 N -3.23 0.00 -4.03 1.61 0.00 -1.26 -4.21 120.64 109.52 1pba n GLU 10 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 1pba n GLU 10 Cb 0.27 -0.21 -0.11 0.00 0.00 0.00 0.00 31.44 31.39 1pba n GLU 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1pba s LYS 11 N 0.81 0.45 0.03 3.44 1.02 -1.26 -4.81 119.74 119.41 1pba s LYS 11 Ca 0.00 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.23 1pba s LYS 11 Cb 0.00 -0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 1pba s LYS 11 CO 0.00 -0.03 -0.09 0.54 -0.92 0.00 0.00 175.35 174.85 1pba s VAL 12 N -1.91 0.67 0.12 3.17 0.11 -1.26 -3.11 120.40 118.19 1pba s VAL 12 Ca -0.09 -0.86 0.05 0.00 -2.93 0.00 0.00 61.98 58.14 1pba s VAL 12 Cb -0.07 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1pba s VAL 12 CO -0.02 -0.16 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.12 1pba s PHE 13 N -0.94 1.22 -0.31 1.54 0.08 -1.26 -4.96 117.98 113.35 1pba s PHE 13 Ca -0.04 -0.66 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 1pba s PHE 13 Cb -0.08 -0.64 0.10 0.00 -0.57 0.00 0.00 43.02 41.83 1pba s PHE 13 CO 0.01 0.07 0.10 1.03 -0.10 0.00 0.00 175.22 176.32 1pba s ARG 14 N -3.10 0.73 -1.32 0.44 3.00 -0.99 -3.95 118.95 113.76 1pba s ARG 14 Ca 0.10 -1.10 -0.14 0.00 0.00 0.00 0.00 55.73 54.59 1pba s ARG 14 Cb -0.01 -2.02 0.11 0.00 0.00 0.00 0.00 34.95 33.03 1pba s ARG 14 CO 0.01 -0.99 1.83 0.28 0.00 0.00 0.00 175.30 176.43 1pba n VAL 15 N 4.82 3.97 -1.64 3.52 0.31 0.67 -0.14 118.33 129.85 1pba n VAL 15 Ca -0.02 -4.02 -0.39 0.00 -0.01 0.00 0.00 64.34 59.90 1pba n VAL 15 Cb 0.42 -2.45 0.04 0.00 -0.91 0.00 0.00 33.84 30.94 1pba n VAL 15 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1pba n ASN 16 N 6.15 1.33 -4.04 4.52 4.13 -1.26 -1.99 115.26 124.11 1pba n ASN 16 Ca 0.45 0.91 -0.31 0.00 1.68 0.00 0.00 54.58 57.31 1pba n ASN 16 Cb 0.41 -1.42 -0.16 0.00 -1.54 0.00 0.00 39.78 37.08 1pba n ASN 16 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1pba s VAL 17 N -1.40 1.89 -0.09 2.41 1.01 0.50 -4.19 120.40 120.52 1pba s VAL 17 Ca 0.71 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1pba s VAL 17 Cb -0.46 -1.95 -0.28 0.00 0.00 0.00 0.00 36.38 33.70 1pba s VAL 17 CO 0.51 0.14 0.50 -0.33 0.00 0.00 0.00 175.10 175.91 1pba h GLU 18 N 7.89 0.30 0.00 2.72 4.39 -1.92 -0.43 114.58 127.54 1pba h GLU 18 Ca -0.27 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 58.92 1pba h GLU 18 Cb 1.08 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1pba h GLU 18 CO 0.49 1.25 0.00 -3.47 -1.16 0.00 0.00 179.01 176.12 1pba n ASP 19 N -3.63 0.02 0.03 1.42 2.03 -1.26 -4.29 116.55 110.88 1pba n ASP 19 Ca -0.28 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.85 1pba n ASP 19 Cb 1.02 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.28 1pba n ASP 19 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1pba h GLU 20 N 0.00 0.23 -0.95 -0.67 4.57 -1.96 -3.35 114.58 112.45 1pba h GLU 20 Ca 0.00 -0.39 0.19 0.00 -1.18 0.00 0.00 59.36 57.98 1pba h GLU 20 Cb 0.00 0.14 -0.18 0.00 -0.16 0.00 0.00 28.75 28.55 1pba h GLU 20 CO 0.00 1.06 -0.23 -0.97 -1.18 0.00 0.00 179.01 177.69 1pba h ASN 21 N 0.06 -0.87 -0.41 1.04 -0.00 -1.98 1.43 115.58 114.85 1pba h ASN 21 Ca -0.32 0.28 0.07 0.00 -0.00 0.00 0.00 56.30 56.33 1pba h ASN 21 Cb 2.03 0.58 -0.02 0.00 -0.00 0.00 0.00 38.32 40.91 1pba h ASN 21 CO 0.13 -0.31 0.28 0.44 -0.00 0.00 0.00 177.43 177.96 1pba h ASP 22 N 0.00 0.22 0.13 1.15 3.32 -1.94 0.21 116.42 119.50 1pba h ASP 22 Ca 0.46 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.26 1pba h ASP 22 Cb 0.70 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.21 1pba h ASP 22 CO -0.97 0.14 -1.21 0.40 -1.72 0.00 0.00 179.24 175.88 1pba h ILE 23 N 0.25 1.20 -0.84 0.35 2.04 0.15 -0.71 117.51 119.94 1pba h ILE 23 Ca 0.18 -2.45 0.05 0.00 1.00 0.00 0.00 64.86 63.64 1pba h ILE 23 Cb 0.42 2.88 -0.05 0.00 -0.74 0.00 0.00 36.82 39.32 1pba h ILE 23 CO -0.04 0.70 0.55 0.77 0.00 0.00 0.00 178.15 180.14 1pba h SER 24 N -0.33 0.86 0.35 1.72 4.64 0.53 0.39 113.55 121.71 1pba h SER 24 Ca -0.25 -0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.74 1pba h SER 24 Cb 1.72 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 63.64 1pba h SER 24 CO 0.09 0.57 -1.52 -0.33 -0.87 0.00 0.00 176.83 174.77 1pba h GLU 25 N 0.99 0.40 -0.41 4.77 3.07 -0.71 -3.25 114.58 119.44 1pba h GLU 25 Ca 0.35 -0.68 -0.11 0.00 -0.50 0.00 0.00 59.36 58.42 1pba h GLU 25 Cb 0.12 0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1pba h GLU 25 CO -0.11 1.30 -0.19 1.25 -1.40 0.00 0.00 179.01 179.86 1pba h LEU 26 N 0.11 0.80 -0.68 1.33 5.85 -0.63 -2.96 115.31 119.13 1pba h LEU 26 Ca -0.26 -0.28 0.15 0.00 0.84 0.00 0.00 57.88 58.33 1pba h LEU 26 Cb 2.09 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 42.79 1pba h LEU 26 CO 0.22 0.98 0.05 -0.74 -0.34 0.00 0.00 178.44 178.60 1pba h HIS 27 N 0.70 0.04 -0.94 1.25 2.76 -0.31 0.35 115.15 118.99 1pba h HIS 27 Ca 0.10 0.05 0.29 0.00 -2.20 0.00 0.00 60.37 58.61 1pba h HIS 27 Cb 0.70 0.09 -0.16 0.00 1.55 0.00 0.00 27.41 29.59 1pba h HIS 27 CO 0.04 -0.16 0.26 1.49 -1.30 0.00 0.00 177.93 178.25 1pba h GLU 28 N 0.15 0.12 -0.12 5.26 4.57 -1.55 0.61 114.58 123.62 1pba h GLU 28 Ca 0.37 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.36 1pba h GLU 28 Cb 0.61 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1pba h GLU 28 CO -0.55 0.08 -0.63 1.25 -1.18 0.00 0.00 179.01 177.98 1pba h LEU 29 N 0.12 0.76 -1.11 1.64 7.12 -0.52 -3.05 115.31 120.28 1pba h LEU 29 Ca 0.64 -0.64 0.20 0.00 0.13 0.00 0.00 57.88 58.21 1pba h LEU 29 Cb 1.40 -0.22 -0.10 0.00 -0.53 0.00 0.00 40.66 41.21 1pba h LEU 29 CO -0.75 1.28 0.62 0.00 -0.13 0.00 0.00 178.44 179.45 1pba h ALA 30 N 0.50 1.80 -0.08 1.25 0.00 0.18 0.18 119.26 123.09 1pba h ALA 30 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pba h ALA 30 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pba h ALA 30 CO 0.13 -0.17 0.00 0.43 0.00 0.00 0.00 179.25 179.64 1pba n SER 31 N -4.72 0.00 0.02 0.00 7.64 0.27 -1.95 113.62 114.88 1pba n SER 31 Ca 0.23 0.98 -0.12 0.00 1.01 0.00 0.00 58.87 60.97 1pba n SER 31 Cb 0.62 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1pba n SER 31 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1pba h THR 32 N 0.00 1.34 -4.71 0.44 1.35 -1.66 -3.48 112.91 106.19 1pba h THR 32 Ca 0.00 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1pba h THR 32 Cb 0.00 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1pba h THR 32 CO 0.00 0.62 -0.01 -1.14 -0.25 0.00 0.00 175.52 174.75 1pba n ARG 33 N -3.89 -0.96 0.00 4.72 0.63 0.60 -4.88 116.66 112.88 1pba n ARG 33 Ca -0.05 1.23 0.11 0.00 -0.92 0.00 0.00 57.85 58.22 1pba n ARG 33 Cb 0.70 -4.58 0.61 0.00 0.45 0.00 0.00 32.46 29.64 1pba n ARG 33 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1pba n GLN 34 N -1.54 0.44 -4.53 -0.14 6.02 -1.26 -4.75 117.38 111.62 1pba n GLN 34 Ca 0.00 0.05 -0.26 0.00 -0.01 0.00 0.00 57.00 56.79 1pba n GLN 34 Cb 0.50 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.42 0.79 0.54 5.09 -5.25 -1.26 -4.82 121.20 113.87 1pba s ILE 35 Ca 0.25 -2.00 0.07 0.00 -0.99 0.00 0.00 60.65 57.99 1pba s ILE 35 Cb 0.16 -2.43 0.05 0.00 2.95 0.00 0.00 42.46 43.19 1pba s ILE 35 CO 0.33 0.00 0.54 -1.81 -1.79 0.00 0.00 174.94 172.21 1pba s ASP 36 N -3.61 4.85 -0.62 4.36 1.01 -1.20 -5.06 116.67 116.39 1pba s ASP 36 Ca 0.25 -1.05 0.05 0.00 0.71 0.00 0.00 52.55 52.50 1pba s ASP 36 Cb 0.04 0.28 0.17 0.00 1.01 0.00 0.00 42.92 44.42 1pba s ASP 36 CO 0.13 -1.15 0.46 0.49 0.21 0.00 0.00 175.17 175.31 1pba n PHE 37 N -1.92 2.05 0.04 4.23 3.72 -1.26 -4.14 117.46 120.18 1pba n PHE 37 Ca 0.05 -4.02 -0.13 0.00 -0.05 0.00 0.00 57.45 53.31 1pba n PHE 37 Cb 0.63 -0.37 -0.09 0.00 -0.94 0.00 0.00 39.48 38.71 1pba n PHE 37 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 1pba h TRP 38 N 5.40 -0.12 -3.39 1.38 7.01 -1.53 -3.35 115.95 121.34 1pba h TRP 38 Ca 0.18 -0.00 -0.22 0.00 2.11 0.00 0.00 58.89 60.96 1pba h TRP 38 Cb 0.79 0.04 -0.29 0.00 -2.10 0.00 0.00 29.16 27.61 1pba h TRP 38 CO 0.56 0.27 -0.60 0.21 -2.79 0.00 0.00 178.44 176.10 1pba s LYS 39 N -4.47 0.11 0.56 2.65 2.47 -1.18 -2.98 119.74 116.89 1pba s LYS 39 Ca -0.15 0.24 -0.18 0.00 -1.56 0.00 0.00 55.97 54.32 1pba s LYS 39 Cb 0.02 -0.04 -0.10 0.00 -1.46 0.00 0.00 37.83 36.26 1pba s LYS 39 CO 0.62 -0.08 0.42 -0.35 0.16 0.00 0.00 175.35 176.12 1pba n PRO 40 N 3.49 0.43 0.33 4.03 -0.04 -1.26 0.07 135.00 142.05 1pba n PRO 40 Ca -0.18 0.17 0.17 0.00 -0.04 0.00 0.00 63.50 63.61 1pba n PRO 40 Cb 0.56 -1.58 0.89 0.00 -0.04 0.00 0.00 33.50 33.33 1pba n PRO 40 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1pba h ASP 41 N 0.20 0.00 -5.39 3.54 5.19 -1.67 -3.42 116.42 114.87 1pba h ASP 41 Ca -0.45 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.75 1pba h ASP 41 Cb 1.41 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.77 1pba h ASP 41 CO 0.46 0.00 -0.64 -0.55 -3.12 0.00 0.00 179.24 175.39 1pba s SER 42 N -4.55 0.34 -0.07 6.45 0.15 -1.26 -4.72 113.70 110.04 1pba s SER 42 Ca -0.04 -1.26 0.09 0.00 0.70 0.00 0.00 55.95 55.44 1pba s SER 42 Cb 0.09 0.30 -0.13 0.00 -1.71 0.00 0.00 66.02 64.58 1pba s SER 42 CO 0.30 -0.75 0.08 0.55 1.20 0.00 0.00 173.24 174.62 1pba n VAL 43 N -0.16 0.49 -0.03 4.45 3.14 -1.26 -4.70 118.33 120.26 1pba n VAL 43 Ca -0.03 -0.36 -0.00 0.00 -2.96 0.00 0.00 64.34 60.98 1pba n VAL 43 Cb 0.64 -0.49 -0.00 0.00 -1.06 0.00 0.00 33.84 32.93 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 -2.23 -0.04 -2.56 1.55 -2.24 -1.26 0.12 114.28 107.62 1pba n THR 44 Ca -0.12 0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.60 1pba n THR 44 Cb 0.67 -0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 -4.09 2.78 -2.46 -0.78 1.13 -1.26 -5.07 117.38 107.62 1pba n GLN 45 Ca 0.00 -4.17 -0.35 0.00 -1.94 0.00 0.00 57.00 50.55 1pba n GLN 45 Cb 0.02 -1.97 -0.03 0.00 0.11 0.00 0.00 30.24 28.37 1pba n GLN 45 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1pba s ILE 46 N -4.81 3.60 0.36 5.09 1.10 0.12 -5.04 121.20 121.61 1pba s ILE 46 Ca 0.42 1.02 0.04 0.00 -0.51 0.00 0.00 60.65 61.62 1pba s ILE 46 Cb 0.41 -3.43 -0.03 0.00 0.15 0.00 0.00 42.46 39.55 1pba s ILE 46 CO -0.13 -0.18 0.13 -0.54 -2.11 0.00 0.00 174.94 172.11 1pba s LYS 47 N -3.15 1.77 0.69 3.50 3.01 -1.26 -5.05 119.74 119.25 1pba s LYS 47 Ca 0.68 -2.04 -0.16 0.00 -1.01 0.00 0.00 55.97 53.44 1pba s LYS 47 Cb -0.19 -0.44 0.02 0.00 -1.01 0.00 0.00 37.83 36.21 1pba s LYS 47 CO 0.23 -0.43 1.18 -2.14 0.51 0.00 0.00 175.35 174.70 1pba s PRO 48 N -3.77 2.43 0.00 -1.68 0.02 -1.26 -3.87 135.00 126.88 1pba s PRO 48 Ca 0.30 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1pba s PRO 48 Cb 0.04 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1pba s PRO 48 CO 0.16 -1.59 0.00 0.72 -0.33 0.00 0.00 177.00 175.96 1pba n HIS 49 N -2.48 0.00 -4.04 6.54 8.25 -0.17 -5.01 115.22 118.31 1pba n HIS 49 Ca 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.47 1pba n HIS 49 Cb 0.51 -0.83 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 1pba n HIS 49 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1pba s SER 50 N -2.89 0.44 0.17 0.41 0.01 -1.24 -5.03 113.70 105.58 1pba s SER 50 Ca 0.00 -1.26 -0.00 0.00 1.31 0.00 0.00 55.95 56.00 1pba s SER 50 Cb 0.00 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 1pba s SER 50 CO 0.00 -1.26 0.07 0.28 0.41 0.00 0.00 173.24 172.74 1pba s THR 51 N -3.37 0.24 -0.13 1.44 -1.32 -1.26 -0.37 115.64 110.87 1pba s THR 51 Ca 0.27 -1.96 0.02 0.00 -1.21 0.00 0.00 61.69 58.82 1pba s THR 51 Cb -0.01 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 1pba s THR 51 CO 0.15 -0.30 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.37 1pba s VAL 52 N -3.97 2.24 -0.52 5.08 1.01 -0.84 -4.05 120.40 119.35 1pba s VAL 52 Ca 0.29 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 1pba s VAL 52 Cb 0.07 -1.89 0.13 0.00 0.00 0.00 0.00 36.38 34.69 1pba s VAL 52 CO 0.06 0.55 0.38 -1.81 0.00 0.00 0.00 175.10 174.28 1pba s ASP 53 N 0.61 5.72 0.23 3.32 1.01 0.11 -0.23 116.67 127.43 1pba s ASP 53 Ca -0.11 -2.09 -0.08 0.00 0.71 0.00 0.00 52.55 50.98 1pba s ASP 53 Cb -0.16 -2.00 0.26 0.00 1.01 0.00 0.00 42.92 42.03 1pba s ASP 53 CO 0.03 -0.64 1.85 -0.26 0.21 0.00 0.00 175.17 176.36 1pba h PHE 54 N 8.22 0.92 0.00 4.23 0.04 -1.72 -2.10 116.94 126.52 1pba h PHE 54 Ca -0.16 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1pba h PHE 54 Cb 1.06 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.91 1pba h PHE 54 CO 0.67 0.50 0.00 -2.13 -0.60 0.00 0.00 178.31 176.75 1pba n ARG 55 N -4.63 0.00 -3.88 1.51 3.00 -1.26 -3.23 116.66 108.17 1pba n ARG 55 Ca 0.10 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.59 1pba n ARG 55 Cb 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.46 1pba n ARG 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1pba s VAL 56 N 0.00 4.19 0.11 5.15 -7.23 -1.18 -4.22 120.40 117.22 1pba s VAL 56 Ca 0.00 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 59.98 1pba s VAL 56 Cb 0.00 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 1pba s VAL 56 CO 0.00 0.38 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.54 1pba s LYS 57 N 1.32 0.91 0.00 4.82 -0.14 -1.26 -4.90 119.74 120.49 1pba s LYS 57 Ca 0.05 -1.29 0.00 0.00 -1.36 0.00 0.00 55.97 53.37 1pba s LYS 57 Cb -0.15 -0.48 0.00 0.00 -1.68 0.00 0.00 37.83 35.52 1pba s LYS 57 CO 0.02 0.06 0.32 0.00 -0.76 0.00 0.00 175.35 174.99 1pba n ALA 58 N 0.19 0.67 -0.05 5.17 0.00 -1.26 -4.71 120.51 120.52 1pba n ALA 58 Ca -0.13 -0.32 -0.06 0.00 0.00 0.00 0.00 53.44 52.93 1pba n ALA 58 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.99 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 0.00 1.04 -0.00 0.00 0.00 -1.26 -4.71 120.64 115.70 1pba n GLU 59 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 57.16 57.24 1pba n GLU 59 Cb 0.42 -1.20 0.04 0.00 0.00 0.00 0.00 31.44 30.70 1pba n GLU 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1pba n ASP 60 N -2.63 1.72 -0.04 -1.84 5.68 -1.26 -4.58 116.55 113.60 1pba n ASP 60 Ca -0.16 -1.36 0.23 0.00 -0.50 0.00 0.00 54.79 53.01 1pba n ASP 60 Cb 0.70 -0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.40 1pba n ASP 60 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1pba h ILE 61 N 1.69 0.56 -0.76 2.12 3.07 -1.84 0.08 117.51 122.42 1pba h ILE 61 Ca 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.40 1pba h ILE 61 Cb 0.36 0.64 -0.04 0.00 -0.27 0.00 0.00 36.82 37.51 1pba h ILE 61 CO 0.00 0.00 0.42 0.25 -1.05 0.00 0.00 178.15 177.77 1pba h LEU 62 N 0.00 0.94 0.00 0.16 5.85 -1.92 0.80 115.31 121.14 1pba h LEU 62 Ca 0.30 -0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.75 1pba h LEU 62 Cb 1.31 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1pba h LEU 62 CO -0.00 0.76 -1.56 0.00 -0.34 0.00 0.00 178.44 177.29 1pba n ALA 63 N -2.42 1.87 -0.02 1.25 0.00 -0.10 -2.65 120.51 118.44 1pba n ALA 63 Ca 0.08 -0.64 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 1pba n ALA 63 Cb 0.09 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 1pba n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pba h VAL 64 N 0.00 1.54 -0.11 0.00 2.07 -0.98 0.17 116.25 118.94 1pba h VAL 64 Ca -0.20 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.32 1pba h VAL 64 Cb 1.67 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 34.21 1pba h VAL 64 CO 0.05 0.55 0.03 -0.33 0.02 0.00 0.00 177.57 177.88 1pba h GLU 65 N -0.47 0.18 0.25 1.57 5.08 0.46 -2.99 114.58 118.66 1pba h GLU 65 Ca -0.04 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1pba h GLU 65 Cb 1.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1pba h GLU 65 CO 0.06 0.34 -0.36 0.22 -1.00 0.00 0.00 179.01 178.27 1pba h ASP 66 N -0.02 -1.00 -0.76 1.42 3.58 -1.57 -2.81 116.42 115.26 1pba h ASP 66 Ca 0.04 0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.68 1pba h ASP 66 Cb 0.24 0.36 -0.11 0.00 1.72 0.00 0.00 39.33 41.54 1pba h ASP 66 CO -0.00 -0.47 -0.38 0.33 -2.88 0.00 0.00 179.24 175.84 1pba n PHE 67 N -5.45 -0.17 -0.34 0.28 7.35 0.59 0.57 117.46 120.29 1pba n PHE 67 Ca -0.08 0.95 0.33 0.00 -0.76 0.00 0.00 57.45 57.88 1pba n PHE 67 Cb 0.36 -0.66 0.59 0.00 0.35 0.00 0.00 39.48 40.11 1pba n PHE 67 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1pba n LEU 68 N -5.03 0.30 -0.08 -2.13 4.77 -1.06 -0.57 117.00 113.19 1pba n LEU 68 Ca 0.04 1.52 -0.16 0.00 -0.03 0.00 0.00 56.01 57.39 1pba n LEU 68 Cb 0.25 -0.74 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 1pba n LEU 68 CO -0.11 -1.70 -0.12 -0.08 -1.33 0.00 0.00 177.39 174.05 1pba h GLU 69 N 0.00 0.00 -0.69 3.23 4.57 0.03 -1.24 114.58 120.48 1pba h GLU 69 Ca 0.82 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 59.21 1pba h GLU 69 Cb 2.29 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 30.76 1pba h GLU 69 CO -0.66 0.86 0.10 1.04 -1.18 0.00 0.00 179.01 179.16 1pba n GLN 70 N -4.54 -0.05 -2.63 1.92 1.13 0.26 0.21 117.38 113.68 1pba n GLN 70 Ca -0.19 1.02 -0.30 0.00 -1.94 0.00 0.00 57.00 55.58 1pba n GLN 70 Cb 0.53 -1.66 -0.01 0.00 0.11 0.00 0.00 30.24 29.20 1pba n GLN 70 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1pba n ASN 71 N -4.85 5.23 -2.77 1.08 2.04 -0.90 -4.98 115.26 110.10 1pba n ASN 71 Ca 0.19 -3.72 0.00 0.00 -0.44 0.00 0.00 54.58 50.61 1pba n ASN 71 Cb 0.62 -0.65 0.00 0.00 -2.53 0.00 0.00 39.78 37.22 1pba n ASN 71 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1pba n GLU 72 N -0.34 -0.44 -3.09 -3.83 -0.58 0.13 -4.87 120.64 107.61 1pba n GLU 72 Ca 0.38 -0.22 -0.27 0.00 -0.42 0.00 0.00 57.16 56.63 1pba n GLU 72 Cb 0.46 0.39 -0.02 0.00 -0.57 0.00 0.00 31.44 31.70 1pba n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pba s LEU 73 N -3.06 3.90 -0.43 -4.62 1.43 -0.47 -4.96 118.68 110.48 1pba s LEU 73 Ca 0.00 0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1pba s LEU 73 Cb 0.00 -3.63 0.30 0.00 0.03 0.00 0.00 46.19 42.88 1pba s LEU 73 CO 0.00 -0.35 2.02 0.00 0.23 0.00 0.00 176.35 178.25 1pba n GLN 74 N -1.56 2.10 -0.67 1.70 1.13 -1.26 -4.88 117.38 113.94 1pba n GLN 74 Ca -0.01 -2.14 -0.31 0.00 -1.94 0.00 0.00 57.00 52.59 1pba n GLN 74 Cb 0.55 -1.84 0.18 0.00 0.11 0.00 0.00 30.24 29.23 1pba n GLN 74 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 1pba n TYR 75 N -0.09 -0.95 -4.31 1.08 4.11 -1.26 -4.32 117.16 111.42 1pba n TYR 75 Ca 0.41 0.15 -0.18 0.00 -0.00 0.00 0.00 57.90 58.29 1pba n TYR 75 Cb 0.62 -1.75 -0.15 0.00 -0.00 0.00 0.00 39.34 38.07 1pba n TYR 75 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1pba s GLU 76 N -3.95 0.65 -0.06 -3.48 -6.30 0.80 -4.79 118.70 101.56 1pba s GLU 76 Ca 0.61 -0.29 0.14 0.00 -2.50 0.00 0.00 54.97 52.94 1pba s GLU 76 Cb -0.20 -0.62 0.28 0.00 0.00 0.00 0.00 34.13 33.59 1pba s GLU 76 CO 0.65 0.17 1.13 0.28 0.02 0.00 0.00 175.26 177.51 1pba n VAL 77 N 2.88 0.74 0.00 3.70 0.31 -1.26 -2.36 118.33 122.34 1pba n VAL 77 Ca -0.13 -1.36 0.00 0.00 -0.01 0.00 0.00 64.34 62.83 1pba n VAL 77 Cb 0.57 0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 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 -0.28 0.00 0.00 7.52 4.77 -1.26 -4.45 117.00 123.31 1pba n LEU 78 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1pba n LEU 78 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1pba n LEU 78 CO -0.02 0.00 0.00 2.30 -1.33 0.00 0.00 177.39 178.34 1pba n ILE 79 N 0.00 0.00 0.00 -0.08 -5.35 -1.26 -5.03 119.36 107.64 1pba n ILE 79 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1pba n ILE 79 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 0.00 0.00 0.00 7.28 5.15 -1.26 -5.16 115.26 121.27 1pba n ASN 80 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1pba n ASN 80 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1pba n ASN 80 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25