#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1awp n PRO 2 N 0.00 0.94 -0.00 -0.67 -0.02 -1.26 -4.90 135.00 129.09 1awp n PRO 2 Ca 0.00 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 1awp n PRO 2 Cb 0.00 -2.33 0.50 0.00 -0.02 0.00 0.00 33.50 31.65 1awp n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1awp n ALA 3 N -1.91 2.57 -2.33 3.55 0.00 -1.26 -4.86 120.51 116.27 1awp n ALA 3 Ca 0.15 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.82 1awp n ALA 3 Cb 0.48 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 1awp n ALA 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1awp s VAL 4 N -1.99 2.16 -0.18 0.00 1.01 -1.26 -5.12 120.40 115.01 1awp s VAL 4 Ca 0.37 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 1awp s VAL 4 Cb 0.21 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1awp s VAL 4 CO 0.33 0.53 0.15 -0.89 0.00 0.00 0.00 175.10 175.22 1awp s THR 5 N -0.67 5.41 -0.06 3.92 2.01 -1.26 -5.01 115.64 119.99 1awp s THR 5 Ca 0.11 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.34 1awp s THR 5 Cb -0.10 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1awp s THR 5 CO -0.00 0.46 0.01 -0.31 -0.69 0.00 0.00 174.62 174.09 1awp s TYR 6 N 0.15 3.15 -0.04 4.92 2.02 -1.26 -1.30 117.35 124.99 1awp s TYR 6 Ca 0.10 0.16 0.05 0.00 -0.37 0.00 0.00 57.07 57.02 1awp s TYR 6 Cb -0.11 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.69 1awp s TYR 6 CO -0.00 0.47 -0.20 0.71 -1.57 0.00 0.00 175.55 174.96 1awp s TYR 7 N -0.96 1.89 0.51 2.71 2.02 0.12 -4.82 117.35 118.81 1awp s TYR 7 Ca 0.16 -0.48 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1awp s TYR 7 Cb -0.11 -1.25 -0.07 0.00 -0.40 0.00 0.00 41.96 40.12 1awp s TYR 7 CO 0.05 -0.13 0.96 1.03 -1.57 0.00 0.00 175.55 175.89 1awp s ARG 8 N -0.18 3.91 0.53 -0.62 1.81 -1.26 -0.31 118.95 122.83 1awp s ARG 8 Ca 0.00 0.88 0.31 0.00 -1.72 0.00 0.00 55.73 55.21 1awp s ARG 8 Cb -0.11 -2.17 1.37 0.00 -0.45 0.00 0.00 34.95 33.60 1awp s ARG 8 CO 0.01 -0.25 2.00 -0.07 -0.68 0.00 0.00 175.30 176.31 1awp h LEU 9 N 0.90 0.00 -0.87 2.53 3.38 -1.94 -1.91 115.31 117.40 1awp h LEU 9 Ca -0.47 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1awp h LEU 9 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1awp h LEU 9 CO 0.62 0.08 0.14 -0.08 0.09 0.00 0.00 178.44 179.29 1awp h GLU 10 N 0.00 0.98 -0.33 1.13 4.81 -1.97 0.15 114.58 119.34 1awp h GLU 10 Ca -0.00 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 58.87 1awp h GLU 10 Cb 0.49 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1awp h GLU 10 CO 0.01 0.88 -0.34 0.93 -0.73 0.00 0.00 179.01 179.76 1awp h GLU 11 N 0.94 0.82 -0.50 1.92 4.39 -1.74 -3.19 114.58 117.21 1awp h GLU 11 Ca 0.20 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 1awp h GLU 11 Cb 0.34 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1awp h GLU 11 CO 0.00 1.07 0.18 0.28 -1.16 0.00 0.00 179.01 179.38 1awp h VAL 12 N 0.60 1.22 -0.45 3.13 2.07 -1.18 -2.84 116.25 118.80 1awp h VAL 12 Ca 0.05 -0.71 0.13 0.00 0.82 0.00 0.00 66.70 67.00 1awp h VAL 12 Cb 0.92 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1awp h VAL 12 CO 0.08 0.26 0.45 0.00 0.02 0.00 0.00 177.57 178.39 1awp h ALA 13 N 1.03 2.20 -0.07 1.67 0.00 -0.96 -1.70 119.26 121.42 1awp h ALA 13 Ca 0.17 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1awp h ALA 13 Cb 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1awp h ALA 13 CO -0.01 -0.68 -0.62 0.87 0.00 0.00 0.00 179.25 178.81 1awp h LYS 14 N 0.00 0.27 -3.59 0.00 1.57 -1.54 -3.36 116.57 109.91 1awp h LYS 14 Ca 0.21 -0.19 -0.75 0.00 -1.87 0.00 0.00 60.65 58.06 1awp h LYS 14 Cb 1.11 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.33 1awp h LYS 14 CO -0.00 0.80 2.30 0.54 -0.57 0.00 0.00 179.45 182.52 1awp n ARG 15 N -3.86 3.47 -0.91 3.15 3.00 -0.64 -4.71 116.66 116.15 1awp n ARG 15 Ca -0.03 -3.30 -0.03 0.00 -0.01 0.00 0.00 57.85 54.49 1awp n ARG 15 Cb 0.63 -3.00 0.17 0.00 0.00 0.00 0.00 32.46 30.26 1awp n ARG 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1awp n ASN 16 N 4.32 2.56 -4.22 0.55 2.04 -1.23 -1.99 115.26 117.30 1awp n ASN 16 Ca 0.43 -3.85 -0.12 0.00 -0.44 0.00 0.00 54.58 50.59 1awp n ASN 16 Cb 0.37 -0.53 -0.10 0.00 -2.53 0.00 0.00 39.78 36.98 1awp n ASN 16 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1awp s THR 17 N -3.51 0.44 0.29 5.53 -4.23 -1.24 -4.85 115.64 108.06 1awp s THR 17 Ca 0.42 -1.96 0.31 0.00 -1.18 0.00 0.00 61.69 59.28 1awp s THR 17 Cb 0.39 -2.17 0.31 0.00 1.34 0.00 0.00 72.50 72.36 1awp s THR 17 CO -0.03 -0.39 1.93 0.00 -0.54 0.00 0.00 174.62 175.58 1awp h ALA 18 N 2.71 1.08 -0.20 3.99 0.00 -1.97 -1.52 119.26 123.35 1awp h ALA 18 Ca -0.36 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1awp h ALA 18 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1awp h ALA 18 CO 0.61 -0.08 -0.62 0.93 0.00 0.00 0.00 179.25 180.09 1awp h GLU 19 N 0.00 0.70 -1.61 0.00 4.39 -1.96 -3.42 114.58 112.68 1awp h GLU 19 Ca 0.00 -0.48 -0.16 0.00 0.34 0.00 0.00 59.36 59.06 1awp h GLU 19 Cb 0.18 0.07 -0.27 0.00 -0.10 0.00 0.00 28.75 28.62 1awp h GLU 19 CO 0.00 1.10 -0.52 -2.00 -1.16 0.00 0.00 179.01 176.43 1awp s GLU 20 N -3.94 0.44 -0.32 2.33 2.12 -0.58 -5.02 118.70 113.73 1awp s GLU 20 Ca -0.09 0.15 -0.09 0.00 0.36 0.00 0.00 54.97 55.31 1awp s GLU 20 Cb 0.10 -0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.26 1awp s GLU 20 CO 0.87 -1.05 0.14 0.99 -0.54 0.00 0.00 175.26 175.68 1awp s THR 21 N 2.55 4.42 0.20 -1.70 2.01 -1.13 -3.53 115.64 118.45 1awp s THR 21 Ca 0.10 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.60 1awp s THR 21 Cb -0.12 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 1awp s THR 21 CO -0.29 0.01 -0.00 0.26 -0.69 0.00 0.00 174.62 173.91 1awp s TRP 22 N 1.57 2.80 -0.06 4.92 0.52 -0.84 -1.24 118.94 126.61 1awp s TRP 22 Ca 0.03 -0.16 -0.22 0.00 0.02 0.00 0.00 56.10 55.78 1awp s TRP 22 Cb -0.17 -1.33 0.05 0.00 -1.15 0.00 0.00 33.47 30.86 1awp s TRP 22 CO 0.05 0.54 0.49 1.41 0.02 0.00 0.00 176.95 179.46 1awp s MET 23 N -3.13 0.81 -0.13 4.98 1.75 0.29 -0.25 119.30 123.62 1awp s MET 23 Ca 0.28 0.14 -0.03 0.00 -1.25 0.00 0.00 55.69 54.84 1awp s MET 23 Cb -0.09 0.37 -0.03 0.00 2.84 0.00 0.00 34.83 37.93 1awp s MET 23 CO 0.19 -0.22 -0.03 0.08 -0.65 0.00 0.00 175.02 174.39 1awp s VAL 24 N -1.00 3.99 -0.07 10.11 1.01 0.07 -0.56 120.40 133.95 1awp s VAL 24 Ca -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1awp s VAL 24 Cb -0.03 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1awp s VAL 24 CO 0.06 0.53 0.03 -0.63 0.00 0.00 0.00 175.10 175.10 1awp s ILE 25 N -0.11 0.15 -1.41 2.22 -1.09 -0.47 -1.26 121.20 119.23 1awp s ILE 25 Ca 0.03 0.18 -0.04 0.00 -2.23 0.00 0.00 60.65 58.59 1awp s ILE 25 Cb -0.13 -0.41 0.03 0.00 -1.58 0.00 0.00 42.46 40.37 1awp s ILE 25 CO 0.02 0.16 0.69 1.41 -1.23 0.00 0.00 174.94 175.99 1awp n HIS 26 N 5.21 -1.91 -1.05 3.97 8.25 -1.26 -2.14 115.22 126.29 1awp n HIS 26 Ca -0.06 0.83 -0.02 0.00 -0.26 0.00 0.00 57.72 58.21 1awp n HIS 26 Cb 0.50 -4.04 -0.01 0.00 1.12 0.00 0.00 29.99 27.56 1awp n HIS 26 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1awp n GLY 27 N -1.70 0.49 3.25 -1.41 0.00 -1.26 -5.02 105.19 99.55 1awp n GLY 27 Ca -0.21 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1awp n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1awp s ARG 28 N -1.16 1.12 -0.18 1.61 0.52 -0.91 -1.80 118.95 118.15 1awp s ARG 28 Ca 0.00 -1.06 -0.10 0.00 -0.52 0.00 0.00 55.73 54.05 1awp s ARG 28 Cb 0.00 -1.31 -0.05 0.00 0.52 0.00 0.00 34.95 34.12 1awp s ARG 28 CO 0.00 0.31 0.16 0.08 0.02 0.00 0.00 175.30 175.87 1awp s VAL 29 N -1.08 5.40 -0.03 3.52 1.01 0.17 -1.37 120.40 128.03 1awp s VAL 29 Ca 0.05 0.26 0.05 0.00 0.00 0.00 0.00 61.98 62.34 1awp s VAL 29 Cb -0.10 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1awp s VAL 29 CO 0.03 0.46 -0.19 -0.31 0.00 0.00 0.00 175.10 175.09 1awp s TYR 30 N 0.19 1.75 -0.65 5.22 1.51 0.28 -1.13 117.35 124.52 1awp s TYR 30 Ca 0.10 -0.41 -0.13 0.00 -1.01 0.00 0.00 57.07 55.62 1awp s TYR 30 Cb -0.12 -1.15 0.17 0.00 -0.11 0.00 0.00 41.96 40.75 1awp s TYR 30 CO -0.00 -0.09 0.58 0.34 -1.11 0.00 0.00 175.55 175.27 1awp s ASP 31 N -0.24 6.29 -0.25 2.29 -1.08 -0.12 -0.55 116.67 123.01 1awp s ASP 31 Ca 0.02 -2.24 0.11 0.00 -0.52 0.00 0.00 52.55 49.92 1awp s ASP 31 Cb -0.09 -2.16 0.71 0.00 -1.46 0.00 0.00 42.92 39.92 1awp s ASP 31 CO 0.01 -0.69 1.66 2.30 0.52 0.00 0.00 175.17 178.97 1awp n ILE 32 N 4.57 2.57 -0.06 4.11 -5.35 -0.37 -4.65 119.36 120.19 1awp n ILE 32 Ca -0.01 -1.34 -0.08 0.00 -0.27 0.00 0.00 62.75 61.05 1awp n ILE 32 Cb 0.43 -0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 37.96 1awp n ILE 32 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1awp h THR 33 N 3.08 0.32 0.00 7.28 2.02 -1.89 -1.58 112.91 122.13 1awp h THR 33 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1awp h THR 33 Cb 1.99 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1awp h THR 33 CO 0.55 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.98 1awp n ARG 34 N -5.40 0.22 0.05 6.66 1.74 -1.26 -3.01 116.66 115.66 1awp n ARG 34 Ca -0.01 0.38 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 1awp n ARG 34 Cb 0.31 -1.88 0.24 0.00 -1.02 0.00 0.00 32.46 30.12 1awp n ARG 34 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1awp n PHE 35 N -2.29 0.42 -0.30 -1.55 7.35 -0.62 -4.29 117.46 116.19 1awp n PHE 35 Ca 0.03 0.12 0.12 0.00 -0.76 0.00 0.00 57.45 56.96 1awp n PHE 35 Cb 0.28 -0.58 0.28 0.00 0.35 0.00 0.00 39.48 39.82 1awp n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1awp h LEU 36 N 0.00 0.27 -0.08 -2.13 3.38 -1.40 0.27 115.31 115.61 1awp h LEU 36 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1awp h LEU 36 Cb 0.67 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1awp h LEU 36 CO 0.00 -0.01 -0.06 -1.54 0.09 0.00 0.00 178.44 176.92 1awp n SER 37 N -5.07 0.19 -0.46 -0.43 3.41 -1.26 -3.57 113.62 106.44 1awp n SER 37 Ca 0.21 -0.24 0.06 0.00 -0.26 0.00 0.00 58.87 58.63 1awp n SER 37 Cb 0.62 -0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1awp n SER 37 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1awp n GLU 38 N -1.20 0.91 -2.21 4.33 1.02 0.03 -4.98 120.64 118.55 1awp n GLU 38 Ca 0.13 -1.15 -0.43 0.00 -0.02 0.00 0.00 57.16 55.69 1awp n GLU 38 Cb 0.27 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.44 1awp n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1awp s HIS 39 N -1.10 2.25 0.45 -0.32 2.46 -0.89 -4.88 115.29 113.26 1awp s HIS 39 Ca 0.14 0.65 0.27 0.00 0.47 0.00 0.00 55.06 56.59 1awp s HIS 39 Cb 0.10 -4.01 1.32 0.00 -0.13 0.00 0.00 32.58 29.86 1awp s HIS 39 CO 0.18 -2.53 1.74 -1.35 -2.47 0.00 0.00 174.74 170.30 1awp h PRO 40 N 10.56 0.20 -0.47 2.88 0.11 -1.93 0.25 132.00 143.60 1awp h PRO 40 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1awp h PRO 40 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1awp h PRO 40 CO 1.02 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 1awp n GLY 41 N -1.58 0.88 0.00 -0.55 0.00 -1.26 -5.03 105.19 97.64 1awp n GLY 41 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1awp n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1awp n GLY 42 N 0.70 -1.23 0.01 -0.02 0.00 0.87 -4.69 105.19 100.83 1awp n GLY 42 Ca 0.10 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1awp n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1awp n GLU 43 N -1.50 0.70 -0.28 1.61 0.28 -1.26 -4.38 120.64 115.81 1awp n GLU 43 Ca 0.00 -0.11 -0.05 0.00 -0.16 0.00 0.00 57.16 56.84 1awp n GLU 43 Cb 0.00 -1.42 0.06 0.00 1.43 0.00 0.00 31.44 31.51 1awp n GLU 43 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1awp h GLU 44 N 0.00 1.04 -0.93 3.44 3.07 -1.93 0.27 114.58 119.54 1awp h GLU 44 Ca 0.00 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1awp h GLU 44 Cb 0.72 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.37 1awp h GLU 44 CO 0.00 0.75 0.57 -0.07 -1.40 0.00 0.00 179.01 178.86 1awp h LEU 45 N 1.04 1.10 0.19 1.33 3.38 -1.84 -2.01 115.31 118.51 1awp h LEU 45 Ca 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1awp h LEU 45 Cb -0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1awp h LEU 45 CO -0.05 0.84 -0.09 -0.07 0.09 0.00 0.00 178.44 179.16 1awp h LEU 46 N 1.27 -0.22 -1.61 1.67 3.38 -1.62 -3.25 115.31 114.93 1awp h LEU 46 Ca 0.33 -0.31 0.12 0.00 0.09 0.00 0.00 57.88 58.12 1awp h LEU 46 Cb -0.07 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1awp h LEU 46 CO -0.06 0.25 0.45 -0.07 0.09 0.00 0.00 178.44 179.09 1awp h LEU 47 N -0.76 0.38 -1.98 1.67 3.38 -0.91 0.08 115.31 117.17 1awp h LEU 47 Ca -0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1awp h LEU 47 Cb 0.51 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1awp h LEU 47 CO 0.04 0.22 0.03 -0.08 0.09 0.00 0.00 178.44 178.74 1awp h GLU 48 N 0.41 0.02 -0.19 1.13 4.81 -1.39 -2.59 114.58 116.78 1awp h GLU 48 Ca 0.32 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1awp h GLU 48 Cb 0.67 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1awp h GLU 48 CO -0.09 0.02 -0.05 1.04 -0.73 0.00 0.00 179.01 179.20 1awp n GLN 49 N -4.53 2.17 -2.34 1.92 6.02 -0.03 -5.02 117.38 115.57 1awp n GLN 49 Ca -0.02 -2.87 -0.38 0.00 -0.01 0.00 0.00 57.00 53.72 1awp n GLN 49 Cb 0.12 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 29.62 1awp n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1awp s ALA 50 N -2.96 3.13 -0.00 -1.58 0.00 -0.94 -2.58 121.76 116.83 1awp s ALA 50 Ca 0.40 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1awp s ALA 50 Cb 0.34 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1awp s ALA 50 CO 0.04 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.75 1awp n GLY 51 N 0.58 0.47 3.10 0.00 0.00 0.65 -4.69 105.19 105.31 1awp n GLY 51 Ca 0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1awp n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1awp n ALA 52 N 1.00 0.61 -2.68 4.61 0.00 -1.07 -3.53 120.51 119.45 1awp n ALA 52 Ca -0.00 -1.90 -0.43 0.00 0.00 0.00 0.00 53.44 51.11 1awp n ALA 52 Cb 0.03 1.40 -0.06 0.00 0.00 0.00 0.00 19.45 20.82 1awp n ALA 52 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1awp s ASP 53 N -3.28 6.27 -0.28 0.00 -1.08 -1.26 -0.75 116.67 116.28 1awp s ASP 53 Ca 0.28 -0.66 0.12 0.00 -0.52 0.00 0.00 52.55 51.77 1awp s ASP 53 Cb 0.01 -2.32 0.71 0.00 -1.46 0.00 0.00 42.92 39.86 1awp s ASP 53 CO 0.20 -0.92 1.71 0.00 0.52 0.00 0.00 175.17 176.67 1awp n ALA 54 N 6.42 4.11 -0.16 3.66 0.00 -0.39 -4.65 120.51 129.49 1awp n ALA 54 Ca -0.04 -2.29 -0.04 0.00 0.00 0.00 0.00 53.44 51.07 1awp n ALA 54 Cb 0.46 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.89 1awp n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1awp h THR 55 N 2.74 0.90 -0.30 0.00 2.02 -1.91 -1.49 112.91 114.87 1awp h THR 55 Ca 0.15 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1awp h THR 55 Cb 2.05 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1awp h THR 55 CO 0.56 0.08 0.18 -0.08 0.37 0.00 0.00 175.52 176.63 1awp h GLU 56 N 0.44 0.36 -0.45 6.66 4.81 -1.95 -2.03 114.58 122.42 1awp h GLU 56 Ca 0.23 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1awp h GLU 56 Cb 0.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1awp h GLU 56 CO -0.20 0.24 -0.06 0.77 -0.73 0.00 0.00 179.01 179.03 1awp h SER 57 N 0.37 0.84 -0.71 1.04 0.02 -1.87 -0.02 113.55 113.21 1awp h SER 57 Ca 0.12 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1awp h SER 57 Cb -0.01 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1awp h SER 57 CO -0.05 0.98 0.47 0.15 -1.14 0.00 0.00 176.83 177.24 1awp h PHE 58 N 0.68 0.82 0.14 3.45 3.57 -1.06 -1.73 116.94 122.80 1awp h PHE 58 Ca 0.12 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.38 1awp h PHE 58 Cb 0.59 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 39.06 1awp h PHE 58 CO 0.04 0.47 -1.27 0.93 -2.23 0.00 0.00 178.31 176.25 1awp h GLU 59 N 0.84 0.29 -0.65 1.11 4.39 -1.27 -3.25 114.58 116.04 1awp h GLU 59 Ca 0.29 -0.50 0.10 0.00 0.34 0.00 0.00 59.36 59.59 1awp h GLU 59 Cb 0.09 0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 28.85 1awp h GLU 59 CO -0.08 1.24 0.25 -0.44 -1.16 0.00 0.00 179.01 178.82 1awp h ASP 60 N -0.26 0.26 0.31 1.42 5.19 -0.80 0.28 116.42 122.83 1awp h ASP 60 Ca -0.26 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1awp h ASP 60 Cb 1.78 0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.35 1awp h ASP 60 CO 0.11 0.14 0.00 0.18 -3.12 0.00 0.00 179.24 176.55 1awp n LEU 61 N -4.98 0.00 -2.51 1.55 4.77 -0.67 -4.97 117.00 110.19 1awp n LEU 61 Ca 0.10 0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 56.21 1awp n LEU 61 Cb 0.30 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1awp n LEU 61 CO 0.22 -0.02 -0.63 0.61 -1.33 0.00 0.00 177.39 176.23 1awp n GLY 62 N 0.86 -5.33 3.68 -0.72 0.00 0.10 -5.00 105.19 98.78 1awp n GLY 62 Ca 0.15 1.49 -0.35 0.00 0.00 0.00 0.00 46.02 47.31 1awp n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1awp s HIS 63 N -0.63 3.21 0.84 1.61 3.76 -1.23 -5.03 115.29 117.82 1awp s HIS 63 Ca -0.24 0.17 -0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1awp s HIS 63 Cb 0.02 -1.86 0.10 0.00 1.11 0.00 0.00 32.58 31.94 1awp s HIS 63 CO 0.64 0.41 1.12 -1.54 -0.85 0.00 0.00 174.74 174.52 1awp s SER 64 N -0.60 3.70 0.57 1.40 1.04 -1.26 -4.84 113.70 113.72 1awp s SER 64 Ca 0.10 2.02 0.30 0.00 0.48 0.00 0.00 55.95 58.85 1awp s SER 64 Cb -0.12 -2.55 1.73 0.00 0.10 0.00 0.00 66.02 65.18 1awp s SER 64 CO 0.02 -2.58 2.20 -0.65 0.98 0.00 0.00 173.24 173.21 1awp h PRO 65 N -1.49 0.00 -0.20 4.02 0.11 -1.99 -0.94 132.00 131.51 1awp h PRO 65 Ca -0.43 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 1awp h PRO 65 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1awp h PRO 65 CO 0.46 0.04 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.46 1awp h ASP 66 N 0.00 0.49 -0.27 -2.05 3.32 -2.00 -1.52 116.42 114.39 1awp h ASP 66 Ca -0.00 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 56.68 1awp h ASP 66 Cb 0.11 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1awp h ASP 66 CO 0.01 0.83 -0.42 0.00 -1.72 0.00 0.00 179.24 177.93 1awp h ALA 67 N 1.20 0.63 -0.11 3.45 0.00 -1.53 -2.76 119.26 120.13 1awp h ALA 67 Ca 0.04 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1awp h ALA 67 Cb 0.86 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1awp h ALA 67 CO 0.07 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.67 1awp h ARG 68 N 0.67 0.21 -0.33 0.00 3.08 -1.13 -2.47 114.38 114.40 1awp h ARG 68 Ca 0.05 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1awp h ARG 68 Cb 1.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1awp h ARG 68 CO 0.10 0.52 -0.34 0.93 -1.07 0.00 0.00 179.97 180.10 1awp h GLU 69 N 0.19 0.75 -0.29 0.04 4.39 -1.19 -3.14 114.58 115.33 1awp h GLU 69 Ca 0.02 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.38 1awp h GLU 69 Cb 0.67 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 1awp h GLU 69 CO 0.05 0.98 0.16 1.98 -1.16 0.00 0.00 179.01 181.02 1awp h MET 70 N 0.63 0.31 -0.87 2.33 4.05 -1.17 -2.98 114.93 117.23 1awp h MET 70 Ca 0.06 -0.02 0.23 0.00 -0.28 0.00 0.00 59.70 59.70 1awp h MET 70 Cb 0.88 -0.07 -0.14 0.00 -0.80 0.00 0.00 31.60 31.46 1awp h MET 70 CO 0.08 0.21 0.19 -0.07 0.23 0.00 0.00 176.91 177.55 1awp h LEU 71 N 0.32 -0.08 -1.27 3.39 3.38 -1.40 -1.96 115.31 117.68 1awp h LEU 71 Ca 0.11 0.20 0.42 0.00 0.09 0.00 0.00 57.88 58.71 1awp h LEU 71 Cb 0.01 0.30 -0.14 0.00 0.09 0.00 0.00 40.66 40.92 1awp h LEU 71 CO -0.06 -0.18 0.76 0.11 0.09 0.00 0.00 178.44 179.16 1awp h LYS 72 N 0.17 0.09 0.00 1.13 6.56 -1.61 0.70 116.57 123.61 1awp h LYS 72 Ca 0.54 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.13 1awp h LYS 72 Cb 1.08 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.72 1awp h LYS 72 CO -0.68 0.06 0.00 0.00 -2.06 0.00 0.00 179.45 176.77 1awp n GLN 73 N -4.85 0.10 0.00 3.15 10.64 -0.74 -3.04 117.38 122.63 1awp n GLN 73 Ca 0.37 0.06 0.07 0.00 -1.83 0.00 0.00 57.00 55.68 1awp n GLN 73 Cb 1.37 -1.50 0.05 0.00 -0.86 0.00 0.00 30.24 29.29 1awp n GLN 73 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1awp n TYR 74 N -1.44 0.00 -1.81 2.61 4.01 0.23 -4.99 117.16 115.77 1awp n TYR 74 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 1awp n TYR 74 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 1awp n TYR 74 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1awp s TYR 75 N -1.37 2.65 0.00 -0.72 5.04 -1.17 -0.94 117.35 120.83 1awp s TYR 75 Ca 0.16 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 1awp s TYR 75 Cb 0.12 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.37 1awp s TYR 75 CO 0.23 -4.16 0.00 0.44 -1.34 0.00 0.00 175.55 170.71 1awp n ILE 76 N 4.32 0.00 -1.12 3.14 -5.35 -0.28 -4.91 119.36 115.16 1awp n ILE 76 Ca 0.16 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1awp n ILE 76 Cb 0.38 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 1awp n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1awp n GLY 77 N 1.10 -1.91 3.67 3.28 0.00 -1.17 -4.75 105.19 105.40 1awp n GLY 77 Ca 0.00 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 1awp n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1awp s ASP 78 N -1.25 4.77 0.30 1.61 1.11 -0.42 0.46 116.67 123.24 1awp s ASP 78 Ca 0.00 -0.42 -0.29 0.00 0.18 0.00 0.00 52.55 52.02 1awp s ASP 78 Cb 0.00 -1.01 -0.10 0.00 1.07 0.00 0.00 42.92 42.88 1awp s ASP 78 CO 0.00 0.08 1.23 -0.69 1.18 0.00 0.00 175.17 176.97 1awp s VAL 79 N -1.80 3.05 0.34 -1.27 1.01 -0.74 -0.71 120.40 120.28 1awp s VAL 79 Ca 0.28 1.04 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 1awp s VAL 79 Cb -0.09 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1awp s VAL 79 CO 0.19 0.24 1.55 -2.28 0.00 0.00 0.00 175.10 174.80 1awp s HIS 80 N -1.01 2.64 0.45 5.22 2.46 0.58 -4.70 115.29 120.93 1awp s HIS 80 Ca 0.48 0.96 0.27 0.00 0.47 0.00 0.00 55.06 57.23 1awp s HIS 80 Cb -0.37 -4.07 1.31 0.00 -0.13 0.00 0.00 32.58 29.32 1awp s HIS 80 CO 0.47 -3.37 1.75 -1.35 -2.47 0.00 0.00 174.74 169.77 1awp h PRO 81 N 3.91 0.21 0.00 2.88 0.11 -1.92 0.17 132.00 137.36 1awp h PRO 81 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1awp h PRO 81 Cb 1.23 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1awp h PRO 81 CO 0.72 0.14 -0.15 -0.91 -0.21 0.00 0.00 178.00 177.59 1awp h ASN 82 N 0.21 0.00 -0.62 -2.05 -0.26 -1.98 -2.84 115.58 108.04 1awp h ASN 82 Ca 0.63 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.37 1awp h ASN 82 Cb 1.96 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.22 1awp h ASN 82 CO -0.22 0.15 0.00 0.47 -1.06 0.00 0.00 177.43 176.77 1awp n ASP 83 N -3.75 4.25 -4.84 5.81 8.00 0.61 -4.98 116.55 121.65 1awp n ASP 83 Ca -0.02 -2.28 -0.32 0.00 0.71 0.00 0.00 54.79 52.88 1awp n ASP 83 Cb 0.26 -0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 40.80 1awp n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1awp s LEU 84 N -1.53 3.95 -0.74 0.64 1.43 -1.08 -4.96 118.68 116.41 1awp s LEU 84 Ca 0.47 1.39 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 1awp s LEU 84 Cb 0.28 -4.23 0.19 0.00 0.03 0.00 0.00 46.19 42.47 1awp s LEU 84 CO 0.25 -0.31 0.65 -0.54 0.23 0.00 0.00 176.35 176.63 1awp s LYS 85 N -3.27 3.27 0.00 1.70 1.02 -1.26 -5.09 119.74 116.11 1awp s LYS 85 Ca 0.56 -2.36 0.00 0.00 0.02 0.00 0.00 55.97 54.19 1awp s LYS 85 Cb -0.10 -4.25 0.00 0.00 -0.52 0.00 0.00 37.83 32.97 1awp s LYS 85 CO 0.20 -1.27 0.05 -2.30 -0.92 0.00 0.00 175.35 171.12