#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 0.01 -1.40 -0.00 -1.26 -4.27 115.22 108.31 1pba n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pba n HIS 2 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1pba n HIS 2 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1pba n SER 3 N -0.10 0.07 -3.97 4.39 3.41 -1.26 -5.13 113.62 111.03 1pba n SER 3 Ca 0.00 0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.56 1pba n SER 3 Cb 0.00 0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1pba n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pba s GLY 4 N -3.65 0.22 0.00 5.00 0.00 -1.26 -5.17 107.32 102.46 1pba s GLY 4 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1pba s GLY 4 CO 0.00 -0.60 0.00 1.18 0.00 0.00 0.00 173.10 173.68 1pba n GLU 5 N 1.72 0.18 -2.87 2.90 1.02 -1.26 -4.92 120.64 117.41 1pba n GLU 5 Ca -0.23 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.82 1pba n GLU 5 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.95 1pba n GLU 5 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pba n HIS 6 N 0.00 0.10 0.70 -0.32 8.25 -1.26 -5.05 115.22 117.64 1pba n HIS 6 Ca 0.00 -0.93 0.11 0.00 -0.26 0.00 0.00 57.72 56.64 1pba n HIS 6 Cb 0.00 -0.02 0.12 0.00 1.12 0.00 0.00 29.99 31.21 1pba n HIS 6 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1pba n PHE 7 N -0.35 0.14 -2.23 4.41 -1.74 -1.26 -4.61 117.46 111.83 1pba n PHE 7 Ca -0.03 -0.08 -0.42 0.00 -0.56 0.00 0.00 57.45 56.37 1pba n PHE 7 Cb 0.22 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 1pba n PHE 7 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1pba n GLU 8 N 1.24 4.05 -0.11 3.97 2.13 -1.26 -4.41 120.64 126.25 1pba n GLU 8 Ca 0.14 -3.54 -0.16 0.00 0.66 0.00 0.00 57.16 54.26 1pba n GLU 8 Cb 0.54 -2.79 -0.09 0.00 0.27 0.00 0.00 31.44 29.37 1pba n GLU 8 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pba n GLY 9 N 2.30 -0.30 2.33 8.31 0.00 -1.26 -4.61 105.19 111.96 1pba n GLY 9 Ca 0.48 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 1pba n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pba n GLU 10 N -3.25 3.18 -3.52 1.61 -0.58 -1.26 -4.75 120.64 112.07 1pba n GLU 10 Ca -0.38 -1.90 -0.20 0.00 -0.42 0.00 0.00 57.16 54.26 1pba n GLU 10 Cb 0.88 -2.63 -0.02 0.00 -0.57 0.00 0.00 31.44 29.10 1pba n GLU 10 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1pba s LYS 11 N 2.25 2.76 0.07 3.49 -2.85 -1.26 -4.95 119.74 119.24 1pba s LYS 11 Ca 0.64 -1.31 0.03 0.00 -1.00 0.00 0.00 55.97 54.33 1pba s LYS 11 Cb 0.18 -2.56 -0.03 0.00 -2.06 0.00 0.00 37.83 33.36 1pba s LYS 11 CO -0.05 -0.07 -0.10 0.08 0.10 0.00 0.00 175.35 175.31 1pba s VAL 12 N -2.34 0.81 0.10 1.79 1.01 -1.26 -4.04 120.40 116.47 1pba s VAL 12 Ca 0.47 -1.31 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1pba s VAL 12 Cb -0.06 -0.96 0.08 0.00 0.00 0.00 0.00 36.38 35.44 1pba s VAL 12 CO 0.29 -0.40 1.09 0.72 0.00 0.00 0.00 175.10 176.81 1pba s PHE 13 N -1.69 -0.05 0.23 5.22 -0.12 -1.21 -4.09 117.98 116.28 1pba s PHE 13 Ca -0.03 -0.21 0.03 0.00 -0.05 0.00 0.00 56.93 56.67 1pba s PHE 13 Cb -0.08 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1pba s PHE 13 CO 0.01 -0.66 -0.00 1.03 -0.05 0.00 0.00 175.22 175.55 1pba s ARG 14 N -2.71 1.33 0.13 1.99 0.52 -0.22 -2.53 118.95 117.46 1pba s ARG 14 Ca 0.16 -1.67 0.09 0.00 -0.52 0.00 0.00 55.73 53.79 1pba s ARG 14 Cb 0.00 -0.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.83 1pba s ARG 14 CO 0.01 -0.10 -0.15 0.08 0.02 0.00 0.00 175.30 175.16 1pba s VAL 15 N -3.43 2.99 -0.18 3.52 1.01 0.52 -0.75 120.40 124.08 1pba s VAL 15 Ca 0.28 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1pba s VAL 15 Cb 0.06 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1pba s VAL 15 CO 0.09 0.07 -0.03 0.21 0.00 0.00 0.00 175.10 175.43 1pba s ASN 16 N -2.27 4.69 -0.77 3.32 2.47 0.15 -0.45 114.94 122.09 1pba s ASN 16 Ca 0.20 -0.21 -0.13 0.00 0.42 0.00 0.00 52.86 53.14 1pba s ASN 16 Cb -0.10 -1.78 0.20 0.00 -1.45 0.00 0.00 41.25 38.11 1pba s ASN 16 CO 0.12 0.10 0.70 -0.69 -3.72 0.00 0.00 177.10 173.61 1pba s VAL 17 N 0.77 5.40 -0.18 -5.21 1.01 0.11 -4.56 120.40 117.73 1pba s VAL 17 Ca -0.01 -2.36 -0.17 0.00 0.00 0.00 0.00 61.98 59.45 1pba s VAL 17 Cb -0.14 -4.36 -0.21 0.00 0.00 0.00 0.00 36.38 31.66 1pba s VAL 17 CO 0.02 -0.99 0.24 1.21 0.00 0.00 0.00 175.10 175.58 1pba n GLU 18 N 4.13 0.63 -4.53 2.72 4.07 -1.26 0.64 120.64 127.04 1pba n GLU 18 Ca 0.09 0.47 -0.26 0.00 -0.06 0.00 0.00 57.16 57.40 1pba n GLU 18 Cb 0.45 -1.73 -0.08 0.00 -0.06 0.00 0.00 31.44 30.02 1pba n GLU 18 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1pba s ASP 19 N -6.94 2.89 0.13 4.31 2.15 -1.26 -3.69 116.67 114.27 1pba s ASP 19 Ca -0.27 -1.65 -0.18 0.00 0.43 0.00 0.00 52.55 50.88 1pba s ASP 19 Cb 0.06 0.45 -0.04 0.00 -0.30 0.00 0.00 42.92 43.10 1pba s ASP 19 CO 0.64 -0.89 1.79 -0.08 -0.17 0.00 0.00 175.17 176.46 1pba h GLU 20 N 1.77 0.37 -0.89 4.34 4.57 -1.97 -2.36 114.58 120.41 1pba h GLU 20 Ca -0.37 -0.02 0.23 0.00 -1.18 0.00 0.00 59.36 58.02 1pba h GLU 20 Cb 1.27 -0.08 -0.16 0.00 -0.16 0.00 0.00 28.75 29.63 1pba h GLU 20 CO 0.60 0.25 0.09 -0.97 -1.18 0.00 0.00 179.01 177.80 1pba h ASN 21 N 0.38 -0.28 -0.72 1.04 -0.00 -1.99 0.74 115.58 114.75 1pba h ASN 21 Ca 0.10 0.23 -0.01 0.00 -0.00 0.00 0.00 56.30 56.62 1pba h ASN 21 Cb -0.04 0.37 -0.03 0.00 -0.00 0.00 0.00 38.32 38.62 1pba h ASN 21 CO -0.02 -0.24 0.39 -0.78 -0.00 0.00 0.00 177.43 176.78 1pba h ASP 22 N 0.10 0.90 -0.43 1.15 1.82 -1.79 0.14 116.42 118.30 1pba h ASP 22 Ca 0.53 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 57.06 1pba h ASP 22 Cb 1.06 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.82 1pba h ASP 22 CO -0.76 0.74 0.22 0.40 -1.61 0.00 0.00 179.24 178.23 1pba h ILE 23 N 0.99 1.17 0.32 2.25 2.04 0.50 0.44 117.51 125.23 1pba h ILE 23 Ca 0.25 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1pba h ILE 23 Cb 0.04 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1pba h ILE 23 CO -0.04 0.18 -0.16 -1.28 0.00 0.00 0.00 178.15 176.86 1pba h SER 24 N 0.56 -0.37 -0.41 1.72 0.87 -0.30 0.24 113.55 115.86 1pba h SER 24 Ca 0.15 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1pba h SER 24 Cb 0.09 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.09 1pba h SER 24 CO -0.02 -0.26 0.02 -0.33 -0.53 0.00 0.00 176.83 175.71 1pba h GLU 25 N -0.45 0.12 -0.10 2.24 3.07 -0.75 -1.92 114.58 116.79 1pba h GLU 25 Ca -0.04 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.83 1pba h GLU 25 Cb 0.33 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1pba h GLU 25 CO 0.07 0.08 -0.05 1.25 -1.40 0.00 0.00 179.01 178.97 1pba h LEU 26 N 0.13 -0.16 -0.59 1.33 5.85 -0.13 -3.00 115.31 118.74 1pba h LEU 26 Ca 0.20 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1pba h LEU 26 Cb 0.28 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1pba h LEU 26 CO -0.32 -0.07 -0.35 1.41 -0.34 0.00 0.00 178.44 178.77 1pba n HIS 27 N -5.18 -0.26 -0.27 1.25 8.25 0.84 0.25 115.22 120.10 1pba n HIS 27 Ca -0.04 0.74 0.15 0.00 -0.26 0.00 0.00 57.72 58.31 1pba n HIS 27 Cb 0.10 -0.52 0.29 0.00 1.12 0.00 0.00 29.99 30.99 1pba n HIS 27 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1pba n GLU 28 N -4.51 -0.06 -0.34 -0.41 4.07 -1.13 0.26 120.64 118.52 1pba n GLU 28 Ca 0.01 1.17 0.16 0.00 -0.06 0.00 0.00 57.16 58.44 1pba n GLU 28 Cb 0.15 -1.92 0.31 0.00 -0.06 0.00 0.00 31.44 29.93 1pba n GLU 28 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1pba h LEU 29 N 0.00 -0.40 -2.27 4.31 5.85 -0.33 0.81 115.31 123.29 1pba h LEU 29 Ca 0.53 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.53 1pba h LEU 29 Cb 1.20 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1pba h LEU 29 CO -0.72 -0.35 0.00 0.00 -0.34 0.00 0.00 178.44 177.03 1pba n ALA 30 N -3.05 2.87 0.00 1.25 0.00 0.14 -2.13 120.51 119.59 1pba n ALA 30 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1pba n ALA 30 Cb 0.80 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1pba n ALA 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pba n SER 31 N 0.78 0.00 0.11 0.00 7.64 0.27 -4.89 113.62 117.52 1pba n SER 31 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 1pba n SER 31 Cb 0.49 0.05 0.12 0.00 -1.01 0.00 0.00 64.21 63.86 1pba n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pba h THR 32 N 0.00 0.00 -2.39 0.44 1.03 -1.13 -3.47 112.91 107.38 1pba h THR 32 Ca 0.00 -0.79 -0.53 0.00 -0.01 0.00 0.00 66.41 65.08 1pba h THR 32 Cb 0.00 1.44 -0.14 0.00 -1.07 0.00 0.00 68.15 68.38 1pba h THR 32 CO 0.00 0.00 -0.60 -0.13 -0.01 0.00 0.00 175.52 174.78 1pba s ARG 33 N -3.25 1.78 -0.69 0.00 1.81 -0.91 -5.07 118.95 112.62 1pba s ARG 33 Ca 0.04 -2.00 0.05 0.00 -1.72 0.00 0.00 55.73 52.09 1pba s ARG 33 Cb 0.10 -1.11 0.28 0.00 -0.45 0.00 0.00 34.95 33.77 1pba s ARG 33 CO 0.73 -0.17 0.90 0.94 -0.68 0.00 0.00 175.30 177.03 1pba n GLN 34 N -0.80 2.98 -2.25 3.54 7.27 -1.26 -4.76 117.38 122.09 1pba n GLN 34 Ca -0.04 -4.70 -0.12 0.00 0.07 0.00 0.00 57.00 52.21 1pba n GLN 34 Cb 0.67 -2.29 0.03 0.00 2.41 0.00 0.00 30.24 31.06 1pba n GLN 34 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1pba n ILE 35 N 0.65 0.00 -4.60 1.69 -5.35 -1.26 -4.85 119.36 105.64 1pba n ILE 35 Ca 0.30 -1.15 -0.29 0.00 -0.27 0.00 0.00 62.75 61.35 1pba n ILE 35 Cb 0.39 -0.65 -0.10 0.00 -1.74 0.00 0.00 39.64 37.55 1pba n ILE 35 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1pba s ASP 36 N -3.07 3.99 0.08 7.28 -4.77 -1.26 -4.98 116.67 113.95 1pba s ASP 36 Ca 0.33 -1.41 0.04 0.00 -3.30 0.00 0.00 52.55 48.21 1pba s ASP 36 Cb -0.03 -0.19 -0.03 0.00 -1.09 0.00 0.00 42.92 41.58 1pba s ASP 36 CO 0.21 -0.56 -0.10 -0.36 0.70 0.00 0.00 175.17 175.06 1pba s PHE 37 N -2.74 1.01 0.07 2.11 0.08 -1.26 -4.25 117.98 113.00 1pba s PHE 37 Ca 0.29 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.75 1pba s PHE 37 Cb 0.07 -0.56 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1pba s PHE 37 CO 0.15 -0.01 0.00 1.87 -0.10 0.00 0.00 175.22 177.13 1pba n TRP 38 N 0.88 -0.09 -4.19 0.36 -0.00 0.12 -4.81 117.44 109.71 1pba n TRP 38 Ca -0.18 0.02 -0.15 0.00 -0.00 0.00 0.00 57.50 57.18 1pba n TRP 38 Cb 0.56 0.03 -0.11 0.00 -0.00 0.00 0.00 31.31 31.79 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 0.88 0.00 5.87 1.02 0.26 -4.80 119.74 120.97 1pba s LYS 39 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.82 1pba s LYS 39 Cb 0.00 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1pba s LYS 39 CO 0.00 0.10 0.00 -0.35 -0.92 0.00 0.00 175.35 174.18 1pba n PRO 40 N 0.57 0.00 0.00 -1.68 -0.04 -1.26 -0.06 135.00 132.52 1pba n PRO 40 Ca -0.16 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1pba n PRO 40 Cb 0.57 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 1pba n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1pba n ASP 41 N -2.03 0.00 -3.50 3.54 2.03 -1.26 -5.08 116.55 110.25 1pba n ASP 41 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 1pba n ASP 41 Cb 0.00 -0.07 -0.06 0.00 -0.72 0.00 0.00 41.12 40.28 1pba n ASP 41 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1pba n SER 42 N -2.10 1.38 -1.44 1.67 3.41 -1.26 -4.98 113.62 110.29 1pba n SER 42 Ca 0.00 -2.77 -0.06 0.00 -0.26 0.00 0.00 58.87 55.78 1pba n SER 42 Cb 0.00 0.78 0.22 0.00 -0.26 0.00 0.00 64.21 64.95 1pba n SER 42 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1pba n VAL 43 N -0.78 2.69 0.00 -3.33 3.14 -1.26 -4.27 118.33 114.52 1pba n VAL 43 Ca -0.06 -2.28 0.00 0.00 -2.96 0.00 0.00 64.34 59.04 1pba n VAL 43 Cb 0.50 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 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 -0.89 0.00 -1.72 1.55 -2.24 -1.26 -4.70 114.28 105.02 1pba n THR 44 Ca 0.37 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.82 1pba n THR 44 Cb 1.19 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.83 3.65 -4.46 -0.78 6.02 -1.26 -4.90 117.38 112.81 1pba n GLN 45 Ca 0.00 -2.86 -0.34 0.00 -0.01 0.00 0.00 57.00 53.79 1pba n GLN 45 Cb 0.50 -2.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.22 1pba n GLN 45 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pba s ILE 46 N -1.21 3.99 0.19 5.09 -1.09 -1.26 -4.78 121.20 122.13 1pba s ILE 46 Ca 0.58 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.61 1pba s ILE 46 Cb 0.26 -2.69 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 1pba s ILE 46 CO -0.13 0.54 -0.14 -1.59 -1.23 0.00 0.00 174.94 172.39 1pba s LYS 47 N -1.04 1.28 0.60 2.79 0.00 -1.26 -5.07 119.74 117.03 1pba s LYS 47 Ca 0.15 -1.56 -0.19 0.00 0.00 0.00 0.00 55.97 54.37 1pba s LYS 47 Cb -0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 37.83 36.65 1pba s LYS 47 CO 0.04 0.17 1.20 -2.14 0.00 0.00 0.00 175.35 174.62 1pba s PRO 48 N -3.63 2.97 -0.02 1.78 0.02 -1.26 -4.41 135.00 130.45 1pba s PRO 48 Ca 0.21 1.80 -0.00 0.00 0.02 0.00 0.00 61.00 63.03 1pba s PRO 48 Cb -0.00 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.59 1pba s PRO 48 CO 0.06 -1.20 0.02 0.72 -0.33 0.00 0.00 177.00 176.26 1pba n HIS 49 N -1.62 -0.07 0.00 6.54 8.25 0.21 -4.97 115.22 123.56 1pba n HIS 49 Ca 0.13 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1pba n HIS 49 Cb 0.50 -1.57 0.00 0.00 1.12 0.00 0.00 29.99 30.04 1pba n HIS 49 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pba n SER 50 N -1.02 0.00 -4.50 0.41 3.41 -1.13 -5.04 113.62 105.75 1pba n SER 50 Ca -0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1pba n SER 50 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 1pba n SER 50 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pba s THR 51 N -2.00 1.61 0.02 6.66 -4.23 -1.26 0.07 115.64 116.50 1pba s THR 51 Ca 0.00 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.54 1pba s THR 51 Cb 0.00 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1pba s THR 51 CO 0.00 -0.09 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.10 1pba s VAL 52 N -3.01 2.64 0.01 2.29 1.01 0.41 -4.52 120.40 119.24 1pba s VAL 52 Ca 0.34 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 61.27 1pba s VAL 52 Cb 0.07 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1pba s VAL 52 CO 0.15 0.41 -0.26 -1.81 0.00 0.00 0.00 175.10 173.60 1pba s ASP 53 N -1.19 3.02 0.17 3.32 1.11 0.91 -0.35 116.67 123.66 1pba s ASP 53 Ca 0.13 -0.52 -0.24 0.00 0.18 0.00 0.00 52.55 52.10 1pba s ASP 53 Cb -0.10 -0.30 0.06 0.00 1.07 0.00 0.00 42.92 43.64 1pba s ASP 53 CO 0.03 0.28 0.76 0.72 1.18 0.00 0.00 175.17 178.14 1pba s PHE 54 N -0.70 -0.31 0.00 4.23 -0.71 -1.05 0.12 117.98 119.56 1pba s PHE 54 Ca 0.10 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 1pba s PHE 54 Cb -0.10 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.34 1pba s PHE 54 CO 0.01 -0.93 0.00 0.54 -1.34 0.00 0.00 175.22 173.50 1pba n ARG 55 N -0.40 1.99 -3.45 1.99 1.74 -1.26 -3.28 116.66 113.98 1pba n ARG 55 Ca -0.09 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.72 1pba n ARG 55 Cb 0.62 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.97 1pba n ARG 55 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1pba n VAL 56 N -0.50 1.43 0.00 1.55 0.24 -1.26 -4.59 118.33 115.20 1pba n VAL 56 Ca 0.00 -4.82 0.00 0.00 -2.04 0.00 0.00 64.34 57.48 1pba n VAL 56 Cb 0.00 -2.06 0.00 0.00 -1.47 0.00 0.00 33.84 30.31 1pba n VAL 56 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pba n LYS 57 N 1.25 0.00 0.00 7.34 4.76 -1.26 -4.73 118.16 125.52 1pba n LYS 57 Ca 0.27 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1pba n LYS 57 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 1pba n LYS 57 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pba n ALA 58 N -1.80 0.00 -0.01 7.82 0.00 -1.26 -4.99 120.51 120.27 1pba n ALA 58 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pba n ALA 58 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pba n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pba n GLU 59 N 0.00 -0.02 -3.26 0.00 4.71 -1.26 -2.19 120.64 118.63 1pba n GLU 59 Ca 0.00 0.12 -0.25 0.00 -0.01 0.00 0.00 57.16 57.02 1pba n GLU 59 Cb 0.00 -0.18 -0.07 0.00 -1.01 0.00 0.00 31.44 30.18 1pba n GLU 59 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1pba n ASP 60 N -2.77 1.19 0.02 1.62 2.03 -1.26 -4.89 116.55 112.50 1pba n ASP 60 Ca 0.00 -2.90 -0.18 0.00 0.52 0.00 0.00 54.79 52.23 1pba n ASP 60 Cb 0.01 -0.65 -0.14 0.00 -0.72 0.00 0.00 41.12 39.62 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 2.36 0.84 -0.70 5.18 1.08 -1.79 -3.35 117.51 121.13 1pba h ILE 61 Ca 0.11 -2.56 0.13 0.00 -0.39 0.00 0.00 64.86 62.16 1pba h ILE 61 Cb 0.82 2.58 -0.13 0.00 -3.07 0.00 0.00 36.82 37.02 1pba h ILE 61 CO 0.57 0.79 -0.24 0.25 -0.69 0.00 0.00 178.15 178.83 1pba h LEU 62 N 0.06 -0.85 -2.23 1.44 5.85 -1.91 1.02 115.31 118.68 1pba h LEU 62 Ca -0.34 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1pba h LEU 62 Cb 2.03 0.50 0.00 0.00 0.37 0.00 0.00 40.66 43.57 1pba h LEU 62 CO 0.12 -0.26 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 1pba h ALA 63 N 1.50 1.00 0.07 1.25 0.00 -1.98 0.57 119.26 121.67 1pba h ALA 63 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.95 1pba h ALA 63 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1pba h ALA 63 CO -0.74 0.00 -1.47 0.28 0.00 0.00 0.00 179.25 177.31 1pba h VAL 64 N 0.00 0.89 -0.08 0.00 2.07 0.79 0.78 116.25 120.69 1pba h VAL 64 Ca 0.00 -2.29 -0.07 0.00 0.82 0.00 0.00 66.70 65.16 1pba h VAL 64 Cb 0.02 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1pba h VAL 64 CO 0.00 0.60 -0.27 -0.33 0.02 0.00 0.00 177.57 177.59 1pba h GLU 65 N -0.50 0.14 0.45 1.57 5.08 0.26 -3.05 114.58 118.52 1pba h GLU 65 Ca -0.35 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1pba h GLU 65 Cb 1.63 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1pba h GLU 65 CO -0.05 0.41 -0.21 0.22 -1.00 0.00 0.00 179.01 178.38 1pba h ASP 66 N 0.13 -0.51 -0.58 1.42 1.82 0.01 -3.28 116.42 115.44 1pba h ASP 66 Ca 0.02 0.02 0.09 0.00 -0.39 0.00 0.00 57.03 56.77 1pba h ASP 66 Cb 0.55 0.13 -0.09 0.00 0.68 0.00 0.00 39.33 40.59 1pba h ASP 66 CO 0.04 -0.21 -0.22 0.33 -1.61 0.00 0.00 179.24 177.57 1pba n PHE 67 N -4.48 0.02 -0.28 0.28 -0.00 0.27 0.10 117.46 113.37 1pba n PHE 67 Ca -0.07 0.71 0.06 0.00 -0.00 0.00 0.00 57.45 58.14 1pba n PHE 67 Cb 0.24 -0.72 0.16 0.00 -0.00 0.00 0.00 39.48 39.16 1pba n PHE 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1pba h LEU 68 N 0.00 -0.48 -0.02 -2.13 3.38 -1.59 -1.54 115.31 112.93 1pba h LEU 68 Ca 0.20 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1pba h LEU 68 Cb 0.35 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1pba h LEU 68 CO -0.57 -0.23 -0.06 -0.08 0.09 0.00 0.00 178.44 177.59 1pba h GLU 69 N 0.06 0.07 -1.10 1.13 4.57 0.55 0.38 114.58 120.24 1pba h GLU 69 Ca 0.43 -0.05 0.30 0.00 -1.18 0.00 0.00 59.36 58.86 1pba h GLU 69 Cb 0.76 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.27 1pba h GLU 69 CO -0.75 0.67 0.73 1.96 -1.18 0.00 0.00 179.01 180.44 1pba h GLN 70 N -0.52 0.27 -0.76 1.92 4.20 -0.46 0.26 115.11 120.02 1pba h GLN 70 Ca -0.00 -0.02 -0.55 0.00 0.06 0.00 0.00 58.65 58.14 1pba h GLN 70 Cb 0.68 -0.06 -0.41 0.00 0.30 0.00 0.00 27.48 27.99 1pba h GLN 70 CO 0.01 0.18 -0.70 0.09 -0.67 0.00 0.00 178.83 177.74 1pba n ASN 71 N -4.54 5.07 -1.10 1.46 3.02 -0.66 -5.01 115.26 113.51 1pba n ASN 71 Ca 0.27 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 1pba n ASN 71 Cb 1.01 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 1pba n ASN 71 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pba n GLU 72 N -0.73 0.00 -2.67 3.52 1.02 0.91 -4.88 120.64 117.81 1pba n GLU 72 Ca 0.45 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.37 1pba n GLU 72 Cb 0.95 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.43 1pba n GLU 72 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1pba s LEU 73 N -0.80 3.15 -0.47 -4.62 1.02 0.01 -5.01 118.68 111.96 1pba s LEU 73 Ca 0.00 -0.25 -0.13 0.00 0.02 0.00 0.00 54.13 53.77 1pba s LEU 73 Cb 0.00 -2.39 0.09 0.00 0.02 0.00 0.00 46.19 43.91 1pba s LEU 73 CO 0.00 -1.43 0.36 -1.10 0.02 0.00 0.00 176.35 174.20 1pba s GLN 74 N -4.89 2.81 0.04 1.70 -0.21 -1.26 -4.88 119.66 112.97 1pba s GLN 74 Ca 0.61 -1.49 0.05 0.00 0.02 0.00 0.00 55.36 54.55 1pba s GLN 74 Cb -0.08 -4.02 -0.04 0.00 1.00 0.00 0.00 33.01 29.87 1pba s GLN 74 CO 0.41 -1.07 -0.07 1.52 -2.12 0.00 0.00 175.29 173.96 1pba s TYR 75 N 1.54 2.85 0.14 0.91 1.13 -1.26 0.32 117.35 122.97 1pba s TYR 75 Ca 0.04 -0.08 0.10 0.00 -1.41 0.00 0.00 57.07 55.72 1pba s TYR 75 Cb -0.25 -1.54 -0.04 0.00 -1.10 0.00 0.00 41.96 39.03 1pba s TYR 75 CO 0.04 0.40 -0.24 -2.00 -2.51 0.00 0.00 175.55 171.23 1pba s GLU 76 N -1.76 1.34 -0.07 -3.49 2.12 0.07 -4.98 118.70 111.93 1pba s GLU 76 Ca 0.19 -1.34 0.03 0.00 0.36 0.00 0.00 54.97 54.21 1pba s GLU 76 Cb -0.11 -1.70 0.01 0.00 0.26 0.00 0.00 34.13 32.59 1pba s GLU 76 CO 0.11 0.39 -0.15 0.08 -0.54 0.00 0.00 175.26 175.15 1pba s VAL 77 N -1.30 1.34 -0.30 3.70 1.01 -1.26 -1.05 120.40 122.54 1pba s VAL 77 Ca 0.13 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1pba s VAL 77 Cb -0.09 -1.20 0.09 0.00 0.00 0.00 0.00 36.38 35.17 1pba s VAL 77 CO 0.06 0.40 0.03 -0.76 0.00 0.00 0.00 175.10 174.83 1pba s LEU 78 N 0.55 3.55 -0.28 3.92 1.43 -1.26 -5.03 118.68 121.57 1pba s LEU 78 Ca -0.15 -1.75 -0.10 0.00 -1.03 0.00 0.00 54.13 51.10 1pba s LEU 78 Cb -0.16 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.62 1pba s LEU 78 CO 0.05 -0.34 1.25 2.30 0.23 0.00 0.00 176.35 179.84 1pba n ILE 79 N 4.50 0.00 -1.36 -0.59 -5.35 -1.26 -4.68 119.36 110.62 1pba n ILE 79 Ca -0.02 -0.32 -0.25 0.00 -0.27 0.00 0.00 62.75 61.89 1pba n ILE 79 Cb 0.42 -0.73 -0.03 0.00 -1.74 0.00 0.00 39.64 37.57 1pba n ILE 79 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pba n ASN 80 N 8.78 6.51 0.00 7.28 3.02 -1.26 -5.12 115.26 134.47 1pba n ASN 80 Ca 0.16 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 1pba n ASN 80 Cb 0.44 -1.19 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 1pba n ASN 80 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18