#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 0.04 4.41 8.25 -1.26 -5.06 115.22 121.61 1pba n HIS 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1pba n HIS 2 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1pba n HIS 2 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pba n SER 3 N 0.00 0.77 -3.12 0.41 3.41 -1.26 -4.88 113.62 108.95 1pba n SER 3 Ca 0.00 0.13 -0.26 0.00 -0.26 0.00 0.00 58.87 58.47 1pba n SER 3 Cb 0.00 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 63.68 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 3.24 5.10 3.54 5.00 0.00 -1.26 -5.06 105.19 115.74 1pba n GLY 4 Ca 0.00 -2.65 -0.25 0.00 0.00 0.00 0.00 46.02 43.11 1pba n GLY 4 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pba s GLU 5 N -2.98 1.81 0.03 1.61 2.12 -1.26 -5.15 118.70 114.88 1pba s GLU 5 Ca 0.45 -1.89 -0.00 0.00 0.36 0.00 0.00 54.97 53.89 1pba s GLU 5 Cb 0.24 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.89 1pba s GLU 5 CO -0.09 0.18 0.04 0.72 -0.54 0.00 0.00 175.26 175.57 1pba n HIS 6 N -0.77 -0.58 -0.05 5.30 8.25 -1.26 -4.91 115.22 121.20 1pba n HIS 6 Ca -0.05 -0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.13 1pba n HIS 6 Cb 0.63 0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.75 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 -0.05 0.00 -3.90 4.41 -1.74 -1.26 -5.06 117.46 109.87 1pba n PHE 7 Ca -0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.79 1pba n PHE 7 Cb 0.05 -0.35 -0.09 0.00 1.52 0.00 0.00 39.48 40.61 1pba n PHE 7 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1pba s GLU 8 N -2.18 0.58 0.05 3.97 2.12 -1.26 -5.09 118.70 116.89 1pba s GLU 8 Ca -0.13 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1pba s GLU 8 Cb 0.04 0.23 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1pba s GLU 8 CO 0.19 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1pba n GLY 9 N 0.93 -0.22 3.56 -1.50 0.00 -1.26 -4.91 105.19 101.79 1pba n GLY 9 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.68 0.86 -3.89 1.61 4.71 -1.26 -4.22 120.64 115.76 1pba n GLU 10 Ca 0.00 -2.06 -0.30 0.00 -0.01 0.00 0.00 57.16 54.79 1pba n GLU 10 Cb 0.00 -3.77 -0.14 0.00 -1.01 0.00 0.00 31.44 26.52 1pba n GLU 10 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1pba s LYS 11 N 7.40 1.64 0.00 3.49 2.20 -1.26 -4.88 119.74 128.33 1pba s LYS 11 Ca 0.74 -2.23 -0.03 0.00 -0.36 0.00 0.00 55.97 54.08 1pba s LYS 11 Cb -0.02 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1pba s LYS 11 CO 0.17 -1.08 0.21 0.54 -0.36 0.00 0.00 175.35 174.83 1pba s VAL 12 N 0.22 5.40 0.00 4.02 0.11 -1.26 -3.69 120.40 125.20 1pba s VAL 12 Ca 0.15 -0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1pba s VAL 12 Cb -0.24 -3.55 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 1pba s VAL 12 CO -0.03 0.31 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.55 1pba s PHE 13 N -1.34 1.28 -0.19 1.54 0.40 -1.19 -3.97 117.98 114.51 1pba s PHE 13 Ca 0.28 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 1pba s PHE 13 Cb -0.13 -0.81 0.04 0.00 0.51 0.00 0.00 43.02 42.64 1pba s PHE 13 CO 0.19 -0.00 -0.07 0.50 0.70 0.00 0.00 175.22 176.53 1pba s ARG 14 N -0.55 1.72 0.16 0.44 3.52 -1.19 -1.63 118.95 121.41 1pba s ARG 14 Ca 0.05 -0.72 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 1pba s ARG 14 Cb -0.06 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 31.03 1pba s ARG 14 CO -0.00 -0.45 0.27 0.08 -0.81 0.00 0.00 175.30 174.38 1pba s VAL 15 N 1.50 5.20 -0.35 7.11 1.01 0.78 -0.97 120.40 134.68 1pba s VAL 15 Ca -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1pba s VAL 15 Cb -0.16 -3.68 0.08 0.00 0.00 0.00 0.00 36.38 32.62 1pba s VAL 15 CO -0.08 -0.11 0.10 0.20 0.00 0.00 0.00 175.10 175.21 1pba s ASN 16 N -3.26 5.06 -1.10 3.32 0.01 -0.62 0.10 114.94 118.44 1pba s ASN 16 Ca 0.34 -1.68 -0.25 0.00 -0.71 0.00 0.00 52.86 50.56 1pba s ASN 16 Cb -0.11 -1.76 -0.18 0.00 0.41 0.00 0.00 41.25 39.61 1pba s ASN 16 CO 0.28 -0.40 2.03 0.52 -1.51 0.00 0.00 177.10 178.01 1pba n VAL 17 N 4.58 0.85 0.09 1.60 0.31 0.61 -4.73 118.33 121.64 1pba n VAL 17 Ca -0.07 -0.88 -0.10 0.00 -0.01 0.00 0.00 64.34 63.28 1pba n VAL 17 Cb 0.42 -2.08 -0.06 0.00 -0.91 0.00 0.00 33.84 31.22 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 10.74 -0.47 0.00 5.55 4.39 -1.89 2.05 114.58 134.95 1pba h GLU 18 Ca 0.11 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1pba h GLU 18 Cb 0.96 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1pba h GLU 18 CO 1.14 -0.31 0.00 -0.40 -1.16 0.00 0.00 179.01 178.27 1pba n ASP 19 N -4.26 0.00 0.03 1.42 5.75 -1.26 -1.55 116.55 116.67 1pba n ASP 19 Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.51 1pba n ASP 19 Cb 0.26 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.28 -0.59 0.11 4.39 -1.98 -3.38 114.58 113.40 1pba h GLU 20 Ca 0.00 -0.47 0.05 0.00 0.34 0.00 0.00 59.36 59.28 1pba h GLU 20 Cb 0.00 0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.76 1pba h GLU 20 CO 0.00 1.23 -0.35 -1.71 -1.16 0.00 0.00 179.01 177.02 1pba n ASN 21 N -3.97 -0.63 -0.15 1.42 2.85 -1.26 0.13 115.26 113.66 1pba n ASN 21 Ca -0.21 1.09 -0.03 0.00 -0.11 0.00 0.00 54.58 55.32 1pba n ASN 21 Cb 0.89 -0.15 0.05 0.00 1.24 0.00 0.00 39.78 41.81 1pba n ASN 21 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1pba h ASP 22 N 0.00 -0.17 -0.36 1.20 3.58 -1.92 0.13 116.42 118.88 1pba h ASP 22 Ca 0.09 0.11 0.05 0.00 0.42 0.00 0.00 57.03 57.71 1pba h ASP 22 Cb 0.24 0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.43 1pba h ASP 22 CO -0.56 -0.05 0.07 0.40 -2.88 0.00 0.00 179.24 176.23 1pba h ILE 23 N 0.13 0.82 0.61 2.25 2.04 0.86 0.53 117.51 124.75 1pba h ILE 23 Ca 0.24 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 1pba h ILE 23 Cb 0.34 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1pba h ILE 23 CO -0.38 0.04 -0.29 0.28 0.00 0.00 0.00 178.15 177.80 1pba h SER 24 N 0.19 -0.69 -0.71 1.72 0.02 0.14 0.47 113.55 114.69 1pba h SER 24 Ca 0.17 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.28 1pba h SER 24 Cb 0.20 0.18 -0.10 0.00 0.14 0.00 0.00 62.40 62.82 1pba h SER 24 CO -0.23 -0.40 0.24 -0.33 -1.14 0.00 0.00 176.83 174.97 1pba h GLU 25 N -1.00 0.36 -0.09 3.45 3.07 -0.70 0.03 114.58 119.70 1pba h GLU 25 Ca -0.08 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1pba h GLU 25 Cb 0.62 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1pba h GLU 25 CO 0.14 0.24 -0.06 1.25 -1.40 0.00 0.00 179.01 179.18 1pba h LEU 26 N 0.37 0.20 -0.74 1.33 6.46 0.07 -2.81 115.31 120.19 1pba h LEU 26 Ca 0.39 -0.44 0.17 0.00 -0.12 0.00 0.00 57.88 57.87 1pba h LEU 26 Cb 0.60 -0.06 -0.12 0.00 -0.73 0.00 0.00 40.66 40.36 1pba h LEU 26 CO -0.42 0.60 0.12 0.45 -0.62 0.00 0.00 178.44 178.57 1pba h HIS 27 N -0.20 0.16 -0.65 1.25 3.86 0.66 0.57 115.15 120.80 1pba h HIS 27 Ca 0.02 0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.41 1pba h HIS 27 Cb 0.53 0.04 -0.11 0.00 1.06 0.00 0.00 27.41 28.94 1pba h HIS 27 CO 0.08 -0.15 0.05 1.49 0.86 0.00 0.00 177.93 180.26 1pba h GLU 28 N 0.20 0.16 0.01 2.45 4.57 -0.83 0.11 114.58 121.25 1pba h GLU 28 Ca 0.42 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.59 1pba h GLU 28 Cb 0.73 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1pba h GLU 28 CO -0.57 0.10 -0.01 1.25 -1.18 0.00 0.00 179.01 178.61 1pba h LEU 29 N 0.16 -0.01 -2.06 1.64 5.85 -0.21 -0.21 115.31 120.46 1pba h LEU 29 Ca 0.35 -0.66 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1pba h LEU 29 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1pba h LEU 29 CO -0.53 0.80 0.35 0.00 -0.34 0.00 0.00 178.44 178.73 1pba h ALA 30 N -0.29 2.08 0.00 1.25 0.00 0.06 0.42 119.26 122.77 1pba h ALA 30 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pba h ALA 30 Cb 0.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pba h ALA 30 CO 0.00 -0.53 -0.66 0.43 0.00 0.00 0.00 179.25 178.49 1pba n SER 31 N -3.86 1.61 -0.24 0.00 7.64 0.38 -2.69 113.62 116.47 1pba n SER 31 Ca 0.06 0.43 0.13 0.00 1.01 0.00 0.00 58.87 60.49 1pba n SER 31 Cb 0.52 -0.76 0.42 0.00 -1.01 0.00 0.00 64.21 63.37 1pba n SER 31 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1pba h THR 32 N -0.86 0.82 -0.62 0.44 2.02 -0.96 -2.78 112.91 110.97 1pba h THR 32 Ca 0.00 -0.21 -0.44 0.00 0.77 0.00 0.00 66.41 66.53 1pba h THR 32 Cb 0.66 0.16 -0.40 0.00 -1.74 0.00 0.00 68.15 66.83 1pba h THR 32 CO 0.00 0.11 -0.88 -1.14 0.37 0.00 0.00 175.52 173.98 1pba n ARG 33 N -4.53 2.99 0.00 6.66 0.63 0.15 -5.05 116.66 117.50 1pba n ARG 33 Ca 0.16 -3.92 0.00 0.00 -0.92 0.00 0.00 57.85 53.17 1pba n ARG 33 Cb 0.49 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1pba n ARG 33 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1pba n GLN 34 N -0.68 0.00 -4.36 -0.14 0.00 -1.05 -4.77 117.38 106.38 1pba n GLN 34 Ca 0.33 0.00 -0.24 0.00 -0.00 0.00 0.00 57.00 57.09 1pba n GLN 34 Cb 0.92 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 31.07 1pba n GLN 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1pba s ILE 35 N 0.00 3.02 -0.02 1.69 1.01 -1.25 -5.03 121.20 120.62 1pba s ILE 35 Ca 0.00 -2.08 -0.25 0.00 0.00 0.00 0.00 60.65 58.32 1pba s ILE 35 Cb 0.00 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 1pba s ILE 35 CO 0.00 -0.36 0.75 1.51 0.00 0.00 0.00 174.94 176.85 1pba s ASP 36 N -3.63 7.11 0.48 3.58 -4.77 -1.26 -5.02 116.67 113.16 1pba s ASP 36 Ca 0.31 1.34 0.06 0.00 -3.30 0.00 0.00 52.55 50.96 1pba s ASP 36 Cb -0.05 -2.45 0.08 0.00 -1.09 0.00 0.00 42.92 39.41 1pba s ASP 36 CO 0.18 -0.08 0.62 0.49 0.70 0.00 0.00 175.17 177.09 1pba n PHE 37 N 3.41 -2.60 0.00 2.11 3.01 -1.26 -2.96 117.46 119.16 1pba n PHE 37 Ca -0.01 -1.51 0.00 0.00 1.01 0.00 0.00 57.45 56.94 1pba n PHE 37 Cb 0.51 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1pba n PHE 37 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1pba n TRP 38 N -2.05 0.00 -3.43 1.38 7.02 0.90 -4.38 117.44 116.87 1pba n TRP 38 Ca 0.12 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.56 1pba n TRP 38 Cb 0.44 0.20 -0.06 0.00 -2.42 0.00 0.00 31.31 29.47 1pba n TRP 38 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1pba s LYS 39 N -1.99 0.43 0.00 -0.99 2.36 -1.10 -4.67 119.74 113.79 1pba s LYS 39 Ca 0.00 0.94 0.00 0.00 -2.55 0.00 0.00 55.97 54.36 1pba s LYS 39 Cb 0.00 0.22 0.00 0.00 -1.05 0.00 0.00 37.83 37.00 1pba s LYS 39 CO 0.00 -0.46 0.00 -2.30 1.55 0.00 0.00 175.35 174.14 1pba n PRO 40 N 5.40 3.64 -0.12 4.03 -0.02 -1.26 -0.94 135.00 145.73 1pba n PRO 40 Ca -0.06 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.21 1pba n PRO 40 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.88 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 0.00 1.97 -2.43 2.55 5.75 -1.26 -4.84 116.55 118.29 1pba n ASP 41 Ca 0.00 0.09 -0.04 0.00 -0.01 0.00 0.00 54.79 54.83 1pba n ASP 41 Cb 0.00 -0.55 -0.00 0.00 -1.03 0.00 0.00 41.12 39.54 1pba n ASP 41 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1pba n SER 42 N -3.64 1.45 -0.02 -1.12 2.88 -1.26 -4.41 113.62 107.49 1pba n SER 42 Ca -0.45 -1.30 0.07 0.00 -1.33 0.00 0.00 58.87 55.85 1pba n SER 42 Cb 0.89 0.01 -0.15 0.00 -0.75 0.00 0.00 64.21 64.21 1pba n SER 42 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pba n VAL 43 N -0.60 0.19 0.23 2.46 3.14 -1.26 -4.17 118.33 118.32 1pba n VAL 43 Ca -0.01 -0.48 0.09 0.00 -2.96 0.00 0.00 64.34 60.98 1pba n VAL 43 Cb 0.10 -0.03 0.25 0.00 -1.06 0.00 0.00 33.84 33.10 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 0.75 -1.81 1.55 -2.24 -1.26 -3.88 114.28 105.16 1pba n THR 44 Ca -0.07 -0.74 -0.26 0.00 -2.27 0.00 0.00 64.05 60.70 1pba n THR 44 Cb 0.58 0.37 0.04 0.00 -2.10 0.00 0.00 70.33 69.22 1pba n THR 44 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1pba n GLN 45 N 1.12 3.31 -4.20 -0.78 0.00 -1.26 -5.00 117.38 110.57 1pba n GLN 45 Ca 0.19 -3.90 -0.19 0.00 -0.00 0.00 0.00 57.00 53.10 1pba n GLN 45 Cb 0.47 -2.27 -0.12 0.00 0.00 0.00 0.00 30.24 28.32 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 -4.63 1.15 0.20 1.69 1.01 -1.25 -4.84 121.20 114.53 1pba s ILE 46 Ca 0.55 -1.29 0.07 0.00 0.00 0.00 0.00 60.65 59.97 1pba s ILE 46 Cb 0.44 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.77 1pba s ILE 46 CO 0.02 -0.19 -0.13 -1.59 0.00 0.00 0.00 174.94 173.05 1pba s LYS 47 N -1.69 1.28 1.11 2.79 -2.85 -1.26 -5.13 119.74 113.99 1pba s LYS 47 Ca -0.01 -1.57 -0.17 0.00 -1.00 0.00 0.00 55.97 53.22 1pba s LYS 47 Cb -0.10 -1.00 0.15 0.00 -2.06 0.00 0.00 37.83 34.83 1pba s LYS 47 CO 0.02 0.15 0.19 -2.30 0.10 0.00 0.00 175.35 173.51 1pba n PRO 48 N -0.35 -2.16 -4.15 1.78 -0.02 -1.26 -3.71 135.00 125.14 1pba n PRO 48 Ca -0.08 -0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 60.42 1pba n PRO 48 Cb 0.61 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.41 1pba n PRO 48 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pba n HIS 49 N -4.55 -1.20 -3.84 6.00 8.25 0.68 -4.91 115.22 115.66 1pba n HIS 49 Ca 0.04 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1pba n HIS 49 Cb 0.52 -2.58 0.00 0.00 1.12 0.00 0.00 29.99 29.05 1pba n HIS 49 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1pba n SER 50 N -2.38 0.00 -3.94 0.41 7.64 -0.38 -4.93 113.62 110.04 1pba n SER 50 Ca -0.23 -0.93 -0.15 0.00 1.01 0.00 0.00 58.87 58.57 1pba n SER 50 Cb 0.60 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 1pba n SER 50 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1pba s THR 51 N -2.03 0.30 -0.11 0.44 -4.23 -1.26 0.22 115.64 108.98 1pba s THR 51 Ca 0.00 -0.18 -0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1pba s THR 51 Cb 0.00 -0.26 0.02 0.00 1.34 0.00 0.00 72.50 73.60 1pba s THR 51 CO 0.00 0.08 -0.08 0.54 -0.54 0.00 0.00 174.62 174.62 1pba s VAL 52 N -0.11 1.02 0.16 2.29 0.11 0.11 -4.44 120.40 119.55 1pba s VAL 52 Ca 0.01 -0.29 0.06 0.00 -2.93 0.00 0.00 61.98 58.83 1pba s VAL 52 Cb -0.02 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1pba s VAL 52 CO -0.00 0.37 0.06 -1.81 -3.33 0.00 0.00 175.10 170.39 1pba s ASP 53 N 1.68 5.15 0.12 3.54 1.11 -0.12 -0.15 116.67 128.00 1pba s ASP 53 Ca 0.04 -0.25 -0.03 0.00 0.18 0.00 0.00 52.55 52.49 1pba s ASP 53 Cb -0.13 -1.23 -0.03 0.00 1.07 0.00 0.00 42.92 42.60 1pba s ASP 53 CO -0.08 0.09 0.10 0.72 1.18 0.00 0.00 175.17 177.18 1pba s PHE 54 N -1.70 0.65 0.12 4.23 -0.71 -0.65 -0.07 117.98 119.86 1pba s PHE 54 Ca 0.29 -1.06 -0.03 0.00 -1.04 0.00 0.00 56.93 55.10 1pba s PHE 54 Cb -0.10 -0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 41.35 1pba s PHE 54 CO 0.21 -0.54 -0.13 2.89 -1.34 0.00 0.00 175.22 176.31 1pba n ARG 55 N -0.08 0.00 -2.55 1.99 -4.01 -1.16 -3.15 116.66 107.71 1pba n ARG 55 Ca -0.08 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 56.60 1pba n ARG 55 Cb 0.63 -0.12 0.03 0.00 -3.04 0.00 0.00 32.46 29.95 1pba n ARG 55 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 1pba n VAL 56 N -0.35 1.66 -1.62 8.89 0.24 -1.24 -4.14 118.33 121.76 1pba n VAL 56 Ca -0.00 -3.60 0.00 0.00 -2.04 0.00 0.00 64.34 58.69 1pba n VAL 56 Cb 0.08 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 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 -0.44 0.97 0.05 7.34 5.02 -1.26 -4.09 118.16 125.75 1pba n LYS 57 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1pba n LYS 57 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.82 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 -0.37 7.82 0.00 -1.26 -4.72 120.51 121.98 1pba n ALA 58 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1pba n ALA 58 Cb 0.00 0.23 0.64 0.00 0.00 0.00 0.00 19.45 20.31 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 0.17 -0.59 0.00 3.07 -1.99 -0.09 114.58 115.15 1pba h GLU 59 Ca 0.00 -0.01 -0.30 0.00 -0.50 0.00 0.00 59.36 58.55 1pba h GLU 59 Cb 0.27 -0.04 -0.18 0.00 -0.84 0.00 0.00 28.75 27.96 1pba h GLU 59 CO 0.00 0.11 0.19 -0.40 -1.40 0.00 0.00 179.01 177.51 1pba n ASP 60 N -4.45 3.00 -4.94 1.42 5.75 -1.26 -5.01 116.55 111.06 1pba n ASP 60 Ca 0.29 -3.70 -0.23 0.00 -0.01 0.00 0.00 54.79 51.14 1pba n ASP 60 Cb 1.17 -0.71 0.01 0.00 -1.03 0.00 0.00 41.12 40.56 1pba n ASP 60 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pba s ILE 61 N -3.26 1.97 0.00 2.12 -1.09 -0.05 -4.65 121.20 116.25 1pba s ILE 61 Ca 0.49 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1pba s ILE 61 Cb 0.43 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1pba s ILE 61 CO 0.04 0.00 0.00 -0.11 -1.23 0.00 0.00 174.94 173.64 1pba n LEU 62 N -1.89 0.00 -1.23 2.97 0.00 -1.26 -4.63 117.00 110.96 1pba n LEU 62 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 56.04 1pba n LEU 62 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 43.42 44.06 1pba n LEU 62 CO 0.40 0.00 0.69 0.00 0.00 0.00 0.00 177.39 178.48 1pba n ALA 63 N 0.00 3.15 0.00 1.96 0.00 -1.26 -0.81 120.51 123.55 1pba n ALA 63 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1pba n ALA 63 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1pba n ALA 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pba n VAL 64 N 0.61 0.00 -0.00 0.00 0.31 -1.26 -4.58 118.33 113.41 1pba n VAL 64 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.20 1pba n VAL 64 Cb 0.58 -0.39 -0.08 0.00 -0.91 0.00 0.00 33.84 33.03 1pba n VAL 64 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1pba h GLU 65 N 0.00 0.77 0.06 5.55 3.07 -1.84 -0.29 114.58 121.91 1pba h GLU 65 Ca 0.00 -0.69 0.01 0.00 -0.50 0.00 0.00 59.36 58.18 1pba h GLU 65 Cb 0.25 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1pba h GLU 65 CO 0.00 1.29 -0.10 -0.44 -1.40 0.00 0.00 179.01 178.35 1pba h ASP 66 N 0.50 -0.28 0.02 1.42 3.32 -1.28 0.32 116.42 120.43 1pba h ASP 66 Ca -0.08 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.03 1pba h ASP 66 Cb 1.51 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 41.13 1pba h ASP 66 CO 0.18 -0.16 -0.26 0.15 -1.72 0.00 0.00 179.24 177.43 1pba h PHE 67 N -0.21 -0.70 0.00 4.55 3.04 -1.73 0.50 116.94 122.39 1pba h PHE 67 Ca 0.02 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1pba h PHE 67 Cb 0.22 0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1pba h PHE 67 CO -0.14 -0.35 -0.15 -0.07 -2.02 0.00 0.00 178.31 175.59 1pba h LEU 68 N -0.41 0.00 0.00 0.59 3.38 -0.70 -2.99 115.31 115.18 1pba h LEU 68 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1pba h LEU 68 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1pba h LEU 68 CO -0.22 0.15 -0.33 -0.08 0.09 0.00 0.00 178.44 178.05 1pba h GLU 69 N 0.00 0.00 -1.02 1.13 4.81 0.61 0.24 114.58 120.35 1pba h GLU 69 Ca -0.00 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.52 1pba h GLU 69 Cb 0.33 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1pba h GLU 69 CO 0.02 0.22 0.75 1.96 -0.73 0.00 0.00 179.01 181.24 1pba h GLN 70 N -1.00 0.00 -0.36 1.92 1.08 -0.09 0.78 115.11 117.44 1pba h GLN 70 Ca -0.04 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.01 1pba h GLN 70 Cb 0.45 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.78 1pba h GLN 70 CO -0.02 0.00 -0.02 0.27 -0.95 0.00 0.00 178.83 178.11 1pba n ASN 71 N -4.16 2.87 -3.32 1.46 0.23 -1.13 -4.97 115.26 106.25 1pba n ASN 71 Ca 0.21 -3.58 -0.03 0.00 -0.53 0.00 0.00 54.58 50.65 1pba n ASN 71 Cb 1.10 -0.62 -0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1pba n ASN 71 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1pba n GLU 72 N -0.99 -1.00 -0.70 -3.83 1.02 0.27 -4.80 120.64 110.60 1pba n GLU 72 Ca 0.32 -0.29 -0.28 0.00 -0.02 0.00 0.00 57.16 56.88 1pba n GLU 72 Cb 1.04 0.32 0.24 0.00 -0.02 0.00 0.00 31.44 33.01 1pba n GLU 72 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1pba s LEU 73 N -4.46 0.80 -1.49 -4.62 2.96 0.85 -4.82 118.68 107.90 1pba s LEU 73 Ca 0.02 1.33 -0.11 0.00 -0.22 0.00 0.00 54.13 55.15 1pba s LEU 73 Cb -0.01 -3.25 0.02 0.00 0.50 0.00 0.00 46.19 43.44 1pba s LEU 73 CO 0.07 -4.07 2.46 0.00 -1.32 0.00 0.00 176.35 173.49 1pba n GLN 74 N -4.81 3.40 -4.25 1.98 0.00 -1.26 -4.91 117.38 107.53 1pba n GLN 74 Ca 0.04 -2.65 -0.25 0.00 0.00 0.00 0.00 57.00 54.14 1pba n GLN 74 Cb 0.56 -3.02 -0.08 0.00 0.00 0.00 0.00 30.24 27.70 1pba n GLN 74 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1pba s TYR 75 N 2.11 2.77 0.09 2.61 1.13 -1.26 -1.59 117.35 123.21 1pba s TYR 75 Ca 0.55 -0.18 0.09 0.00 -1.41 0.00 0.00 57.07 56.11 1pba s TYR 75 Cb 0.15 -1.30 -0.04 0.00 -1.10 0.00 0.00 41.96 39.68 1pba s TYR 75 CO -0.07 0.56 -0.19 -2.00 -2.51 0.00 0.00 175.55 171.34 1pba s GLU 76 N -3.24 1.84 0.15 -3.49 2.12 -0.14 -4.96 118.70 110.99 1pba s GLU 76 Ca 0.29 -1.13 0.11 0.00 0.36 0.00 0.00 54.97 54.59 1pba s GLU 76 Cb -0.08 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.15 1pba s GLU 76 CO 0.19 0.50 -0.23 0.08 -0.54 0.00 0.00 175.26 175.26 1pba s VAL 77 N -1.07 2.49 0.04 3.70 1.01 -1.26 -3.17 120.40 122.14 1pba s VAL 77 Ca 0.17 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1pba s VAL 77 Cb -0.11 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1pba s VAL 77 CO 0.08 0.00 0.01 0.18 0.00 0.00 0.00 175.10 175.37 1pba n LEU 78 N 0.58 0.00 0.00 3.92 4.77 -1.26 -4.72 117.00 120.30 1pba n LEU 78 Ca -0.15 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1pba n LEU 78 Cb 0.54 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1pba n LEU 78 CO 0.27 -0.04 0.00 -0.38 -1.33 0.00 0.00 177.39 175.91 1pba n ILE 79 N -0.10 0.00 -0.01 -0.08 2.08 -1.26 -4.26 119.36 115.74 1pba n ILE 79 Ca -0.01 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.17 1pba n ILE 79 Cb 0.06 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 38.86 1pba n ILE 79 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 1pba h ASN 80 N 0.00 0.04 0.00 4.38 -0.73 -1.96 -3.55 115.58 113.75 1pba h ASN 80 Ca 0.00 -0.39 0.00 0.00 1.87 0.00 0.00 56.30 57.78 1pba h ASN 80 Cb 0.00 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.58 1pba h ASN 80 CO 0.00 0.42 0.00 -0.46 -0.37 0.00 0.00 177.43 177.02