#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 0.00 0.00 -0.67 -0.02 -1.26 -3.99 135.00 129.06 1awp n PRO 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1awp n PRO 2 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 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 -2.82 2.42 -2.70 3.55 0.00 -1.26 -4.89 120.51 114.81 1awp n ALA 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1awp n ALA 3 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.03 4.86 -0.14 0.00 1.01 -1.26 -5.04 120.40 119.81 1awp s VAL 4 Ca 0.00 1.97 -0.14 0.00 0.00 0.00 0.00 61.98 63.81 1awp s VAL 4 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1awp s VAL 4 CO 0.00 0.12 0.32 -0.89 0.00 0.00 0.00 175.10 174.65 1awp s THR 5 N 1.34 5.28 -0.00 3.92 2.01 -1.26 -4.88 115.64 122.05 1awp s THR 5 Ca 0.49 0.61 0.05 0.00 0.31 0.00 0.00 61.69 63.15 1awp s THR 5 Cb -0.20 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1awp s THR 5 CO 0.23 0.40 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.09 1awp s TYR 6 N 0.36 2.64 0.08 4.92 2.02 -1.26 -0.15 117.35 125.97 1awp s TYR 6 Ca 0.18 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.74 1awp s TYR 6 Cb -0.13 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1awp s TYR 6 CO 0.05 0.22 -0.16 0.71 -1.57 0.00 0.00 175.55 174.81 1awp s TYR 7 N -0.84 1.36 0.32 2.71 2.02 -0.25 -4.92 117.35 117.76 1awp s TYR 7 Ca 0.13 -0.45 -0.06 0.00 -0.37 0.00 0.00 57.07 56.32 1awp s TYR 7 Cb -0.11 -0.76 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 1awp s TYR 7 CO 0.03 0.09 0.61 1.03 -1.57 0.00 0.00 175.55 175.75 1awp s ARG 8 N -1.80 3.67 0.45 -0.62 1.81 -1.26 -0.62 118.95 120.58 1awp s ARG 8 Ca 0.00 0.13 0.13 0.00 -1.72 0.00 0.00 55.73 54.27 1awp s ARG 8 Cb -0.10 -2.58 1.02 0.00 -0.45 0.00 0.00 34.95 32.85 1awp s ARG 8 CO 0.03 0.14 2.04 -0.07 -0.68 0.00 0.00 175.30 176.76 1awp h LEU 9 N 1.55 0.13 -1.84 2.53 3.38 -1.94 -1.23 115.31 117.90 1awp h LEU 9 Ca -0.48 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1awp h LEU 9 Cb 1.19 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1awp h LEU 9 CO 0.65 0.19 -0.12 -0.08 0.09 0.00 0.00 178.44 179.18 1awp h GLU 10 N 0.14 0.00 0.24 1.13 4.81 -1.96 0.52 114.58 119.46 1awp h GLU 10 Ca 0.03 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.93 1awp h GLU 10 Cb 0.16 0.00 0.04 0.00 0.63 0.00 0.00 28.75 29.57 1awp h GLU 10 CO 0.01 0.12 -1.48 0.93 -0.73 0.00 0.00 179.01 177.85 1awp h GLU 11 N 0.00 0.52 -0.66 1.92 5.08 -1.62 -3.32 114.58 116.50 1awp h GLU 11 Ca -0.00 -0.89 -0.07 0.00 -1.00 0.00 0.00 59.36 57.41 1awp h GLU 11 Cb 0.38 0.33 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1awp h GLU 11 CO 0.02 1.42 0.15 0.28 -1.00 0.00 0.00 179.01 179.87 1awp h VAL 12 N 0.14 1.26 0.00 3.13 2.07 -1.01 -2.79 116.25 119.05 1awp h VAL 12 Ca -0.25 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1awp h VAL 12 Cb 2.16 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1awp h VAL 12 CO 0.27 0.37 0.00 0.00 0.02 0.00 0.00 177.57 178.22 1awp h ALA 13 N 1.06 1.00 0.00 1.67 0.00 -0.94 -1.55 119.26 120.49 1awp h ALA 13 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1awp h ALA 13 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1awp h ALA 13 CO 0.01 0.00 -0.03 0.87 0.00 0.00 0.00 179.25 180.10 1awp h LYS 14 N 0.00 0.00 -3.11 0.00 1.57 -1.59 -3.37 116.57 110.08 1awp h LYS 14 Ca 0.00 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 57.99 1awp h LYS 14 Cb 0.09 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.17 1awp h LYS 14 CO 0.00 0.00 1.26 0.54 -0.57 0.00 0.00 179.45 180.68 1awp n ARG 15 N -3.07 4.20 -0.19 3.15 3.00 -0.58 -4.72 116.66 118.44 1awp n ARG 15 Ca 0.04 -4.17 0.09 0.00 -0.01 0.00 0.00 57.85 53.80 1awp n ARG 15 Cb 0.53 -2.66 0.15 0.00 0.00 0.00 0.00 32.46 30.48 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 2.20 2.19 -4.54 0.55 2.04 -1.25 -2.45 115.26 114.00 1awp n ASN 16 Ca 0.32 -3.25 -0.25 0.00 -0.44 0.00 0.00 54.58 50.96 1awp n ASN 16 Cb 0.34 -0.45 -0.11 0.00 -2.53 0.00 0.00 39.78 37.03 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 -2.92 1.66 -1.23 5.53 -4.23 -1.25 -4.82 115.64 108.38 1awp s THR 17 Ca 0.33 -2.01 0.12 0.00 -1.18 0.00 0.00 61.69 58.95 1awp s THR 17 Cb 0.30 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 71.39 1awp s THR 17 CO 0.01 -0.01 1.32 0.00 -0.54 0.00 0.00 174.62 175.39 1awp n ALA 18 N -0.84 1.62 -0.01 3.99 0.00 -1.26 -2.66 120.51 121.35 1awp n ALA 18 Ca -0.04 -0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1awp n ALA 18 Cb 0.67 -1.19 -0.10 0.00 0.00 0.00 0.00 19.45 18.83 1awp n ALA 18 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1awp h GLU 19 N 0.00 -0.02 -2.51 0.00 4.81 -1.97 -3.43 114.58 111.46 1awp h GLU 19 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1awp h GLU 19 Cb 0.15 0.01 -0.36 0.00 0.63 0.00 0.00 28.75 29.17 1awp h GLU 19 CO 0.00 0.50 -0.64 -2.00 -0.73 0.00 0.00 179.01 176.14 1awp s GLU 20 N -4.04 0.20 -0.25 1.92 2.12 -1.09 -5.02 118.70 112.55 1awp s GLU 20 Ca -0.16 0.10 -0.05 0.00 0.36 0.00 0.00 54.97 55.22 1awp s GLU 20 Cb 0.01 -1.16 -0.00 0.00 0.26 0.00 0.00 34.13 33.23 1awp s GLU 20 CO 0.66 -0.73 0.02 0.99 -0.54 0.00 0.00 175.26 175.66 1awp s THR 21 N 2.31 3.70 0.17 -1.70 2.01 -1.20 -3.80 115.64 117.12 1awp s THR 21 Ca 0.07 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.62 1awp s THR 21 Cb -0.16 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1awp s THR 21 CO -0.16 0.28 -0.14 0.26 -0.69 0.00 0.00 174.62 174.16 1awp s TRP 22 N 1.50 2.55 -0.08 4.92 0.52 -1.03 -1.12 118.94 126.19 1awp s TRP 22 Ca 0.04 -0.26 -0.13 0.00 0.02 0.00 0.00 56.10 55.77 1awp s TRP 22 Cb -0.16 -1.28 0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1awp s TRP 22 CO -0.00 0.48 0.33 1.41 0.02 0.00 0.00 176.95 179.19 1awp s MET 23 N -2.62 0.51 -0.16 4.98 1.75 -0.46 0.18 119.30 123.49 1awp s MET 23 Ca 0.22 0.22 -0.07 0.00 -1.25 0.00 0.00 55.69 54.82 1awp s MET 23 Cb -0.09 0.24 -0.04 0.00 2.84 0.00 0.00 34.83 37.78 1awp s MET 23 CO 0.13 -0.10 0.06 0.08 -0.65 0.00 0.00 175.02 174.54 1awp s VAL 24 N -0.41 4.78 -0.06 10.11 1.01 -0.30 -1.21 120.40 134.32 1awp s VAL 24 Ca -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1awp s VAL 24 Cb -0.03 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.25 1awp s VAL 24 CO 0.02 0.50 0.06 -0.63 0.00 0.00 0.00 175.10 175.05 1awp s ILE 25 N 0.05 -0.09 -1.44 2.22 1.01 -0.67 0.15 121.20 122.42 1awp s ILE 25 Ca 0.05 0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 1awp s ILE 25 Cb -0.12 -0.22 0.05 0.00 0.01 0.00 0.00 42.46 42.17 1awp s ILE 25 CO 0.01 0.12 0.81 1.41 0.00 0.00 0.00 174.94 177.29 1awp n HIS 26 N 5.29 -2.07 -0.96 3.97 8.25 -1.26 -2.01 115.22 126.43 1awp n HIS 26 Ca -0.04 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1awp n HIS 26 Cb 0.50 -4.07 0.00 0.00 1.12 0.00 0.00 29.99 27.54 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 -1.67 0.46 3.42 -1.41 0.00 -1.26 -5.01 105.19 99.72 1awp n GLY 27 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.48 1.64 -0.12 1.61 0.52 -0.85 -1.52 118.95 119.75 1awp s ARG 28 Ca 0.00 -1.23 -0.10 0.00 -0.52 0.00 0.00 55.73 53.88 1awp s ARG 28 Cb 0.00 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 1awp s ARG 28 CO 0.00 0.48 0.21 0.08 0.02 0.00 0.00 175.30 176.09 1awp s VAL 29 N -1.03 5.37 -0.05 3.52 1.01 0.71 -1.68 120.40 128.24 1awp s VAL 29 Ca 0.15 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1awp s VAL 29 Cb -0.10 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1awp s VAL 29 CO 0.07 0.53 -0.12 -0.31 0.00 0.00 0.00 175.10 175.27 1awp s TYR 30 N -0.46 1.34 -0.62 5.22 1.51 -0.35 -1.46 117.35 122.54 1awp s TYR 30 Ca 0.15 -0.43 -0.18 0.00 -1.01 0.00 0.00 57.07 55.60 1awp s TYR 30 Cb -0.13 -0.97 0.12 0.00 -0.11 0.00 0.00 41.96 40.88 1awp s TYR 30 CO 0.04 -0.21 0.68 0.34 -1.11 0.00 0.00 175.55 175.30 1awp s ASP 31 N 0.44 6.26 -0.27 2.29 -1.08 -0.05 -1.35 116.67 122.91 1awp s ASP 31 Ca -0.09 -1.67 0.12 0.00 -0.52 0.00 0.00 52.55 50.39 1awp s ASP 31 Cb -0.13 -2.27 0.80 0.00 -1.46 0.00 0.00 42.92 39.85 1awp s ASP 31 CO 0.02 -1.00 1.77 2.30 0.52 0.00 0.00 175.17 178.79 1awp n ILE 32 N 5.32 2.82 -0.25 4.11 -5.35 -0.28 -4.63 119.36 121.11 1awp n ILE 32 Ca -0.07 -1.47 0.03 0.00 -0.27 0.00 0.00 62.75 60.97 1awp n ILE 32 Cb 0.42 -0.31 0.16 0.00 -1.74 0.00 0.00 39.64 38.17 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 3.55 0.78 0.00 7.28 2.02 -1.88 -1.45 112.91 123.20 1awp h THR 33 Ca 0.09 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1awp h THR 33 Cb 2.11 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1awp h THR 33 CO 0.58 0.10 -0.12 0.54 0.37 0.00 0.00 175.52 176.99 1awp n ARG 34 N -4.90 0.06 0.08 6.66 1.74 -1.26 -3.61 116.66 115.43 1awp n ARG 34 Ca 0.13 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.36 1awp n ARG 34 Cb 0.33 -1.56 0.05 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.66 0.75 -0.33 -1.55 7.35 -0.58 -4.43 117.46 117.02 1awp n PHE 35 Ca 0.06 0.22 0.15 0.00 -0.76 0.00 0.00 57.45 57.12 1awp n PHE 35 Cb 0.36 -0.80 0.31 0.00 0.35 0.00 0.00 39.48 39.69 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 -0.31 -0.25 -2.13 3.38 -1.52 0.17 115.31 114.65 1awp h LEU 36 Ca 0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1awp h LEU 36 Cb 0.89 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1awp h LEU 36 CO 0.00 -0.31 -0.18 -1.54 0.09 0.00 0.00 178.44 176.50 1awp n SER 37 N -5.41 0.56 -0.01 -0.43 3.41 -1.26 -3.84 113.62 106.64 1awp n SER 37 Ca 0.23 -0.52 0.11 0.00 -0.26 0.00 0.00 58.87 58.43 1awp n SER 37 Cb 0.77 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.99 0.50 -1.63 4.33 -0.58 0.55 -4.95 120.64 117.87 1awp n GLU 38 Ca 0.12 -0.15 -0.43 0.00 -0.42 0.00 0.00 57.16 56.28 1awp n GLU 38 Cb 0.30 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 1awp n GLU 38 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1awp n HIS 39 N -2.06 2.23 0.10 -0.32 -0.00 -0.89 -4.86 115.22 109.42 1awp n HIS 39 Ca -0.02 -0.23 0.19 0.00 0.46 0.00 0.00 57.72 58.12 1awp n HIS 39 Cb 0.51 -2.76 0.75 0.00 -0.12 0.00 0.00 29.99 28.37 1awp n HIS 39 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1awp h PRO 40 N 12.66 0.00 -0.14 1.57 0.11 -1.93 -0.00 132.00 144.28 1awp h PRO 40 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1awp h PRO 40 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1awp h PRO 40 CO 0.95 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.15 1awp n GLY 41 N -1.51 0.07 0.00 -0.55 0.00 -1.26 -5.04 105.19 96.91 1awp n GLY 41 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.07 1.32 0.11 -0.02 0.00 -0.02 -4.69 105.19 102.97 1awp n GLY 42 Ca 0.16 -1.86 0.05 0.00 0.00 0.00 0.00 46.02 44.37 1awp n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1awp h GLU 43 N 0.00 0.00 -0.37 1.61 4.11 -1.81 -3.39 114.58 114.74 1awp h GLU 43 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1awp h GLU 43 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1awp h GLU 43 CO 0.00 0.18 0.16 0.93 0.07 0.00 0.00 179.01 180.34 1awp h GLU 44 N 0.00 0.54 -0.73 1.06 3.07 -1.91 -1.47 114.58 115.15 1awp h GLU 44 Ca -0.09 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 58.71 1awp h GLU 44 Cb 1.33 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 29.11 1awp h GLU 44 CO 0.03 0.51 0.48 -0.07 -1.40 0.00 0.00 179.01 178.56 1awp h LEU 45 N 0.45 0.77 -0.16 1.33 3.38 -1.84 -1.16 115.31 118.08 1awp h LEU 45 Ca 0.12 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 1awp h LEU 45 Cb 0.17 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1awp h LEU 45 CO -0.01 0.53 -0.16 -0.07 0.09 0.00 0.00 178.44 178.82 1awp h LEU 46 N 0.90 0.41 -1.30 1.67 3.38 -1.68 -3.15 115.31 115.53 1awp h LEU 46 Ca 0.29 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1awp h LEU 46 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1awp h LEU 46 CO -0.08 0.81 -0.35 -0.07 0.09 0.00 0.00 178.44 178.84 1awp h LEU 47 N 0.02 0.00 -2.03 1.67 3.38 -0.98 -1.56 115.31 115.81 1awp h LEU 47 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1awp h LEU 47 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1awp h LEU 47 CO 0.04 0.35 -0.06 -0.33 0.09 0.00 0.00 178.44 178.52 1awp h GLU 48 N 0.00 0.00 -0.09 1.13 5.08 -1.18 -2.53 114.58 116.99 1awp h GLU 48 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1awp h GLU 48 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1awp h GLU 48 CO 0.05 0.06 0.00 1.04 -1.00 0.00 0.00 179.01 179.16 1awp n GLN 49 N -3.37 2.72 -1.75 2.33 6.02 -0.89 -5.05 117.38 117.40 1awp n GLN 49 Ca -0.01 -1.85 -0.42 0.00 -0.01 0.00 0.00 57.00 54.71 1awp n GLN 49 Cb 0.22 -1.18 -0.01 0.00 1.02 0.00 0.00 30.24 30.30 1awp n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1awp n ALA 50 N -0.41 2.09 -0.95 -1.58 0.00 -0.64 -2.21 120.51 116.80 1awp n ALA 50 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1awp n ALA 50 Cb 0.38 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1awp n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1awp n GLY 51 N 0.91 0.81 3.54 0.00 0.00 0.13 -4.65 105.19 105.94 1awp n GLY 51 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1awp n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1awp s ALA 52 N -3.22 2.99 -0.35 4.61 0.00 -0.94 -3.41 121.76 121.44 1awp s ALA 52 Ca 0.00 -1.31 -0.26 0.00 0.00 0.00 0.00 51.96 50.39 1awp s ALA 52 Cb 0.00 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1awp s ALA 52 CO 0.00 -0.28 0.95 0.34 0.00 0.00 0.00 175.76 176.78 1awp s ASP 53 N -3.62 6.73 -0.24 0.00 -1.08 -1.26 -1.15 116.67 116.04 1awp s ASP 53 Ca 0.24 0.69 0.13 0.00 -0.52 0.00 0.00 52.55 53.10 1awp s ASP 53 Cb 0.04 -2.48 0.62 0.00 -1.46 0.00 0.00 42.92 39.64 1awp s ASP 53 CO 0.13 -0.85 1.57 0.00 0.52 0.00 0.00 175.17 176.54 1awp n ALA 54 N 6.78 3.74 0.04 3.66 0.00 0.12 -4.73 120.51 130.12 1awp n ALA 54 Ca 0.08 -2.42 -0.11 0.00 0.00 0.00 0.00 53.44 50.99 1awp n ALA 54 Cb 0.48 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 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 2.13 0.48 -0.27 0.00 2.02 -1.91 -1.58 112.91 113.78 1awp h THR 55 Ca 0.11 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.35 1awp h THR 55 Cb 1.79 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 1awp h THR 55 CO 0.42 0.00 -0.13 -0.33 0.37 0.00 0.00 175.52 175.85 1awp h GLU 56 N -0.33 -0.09 -0.44 6.66 4.39 -1.95 -0.44 114.58 122.39 1awp h GLU 56 Ca 0.07 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1awp h GLU 56 Cb 0.43 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1awp h GLU 56 CO -0.23 -0.06 0.21 0.77 -1.16 0.00 0.00 179.01 178.55 1awp h SER 57 N -0.09 0.57 -0.13 1.42 0.02 -1.89 0.13 113.55 113.58 1awp h SER 57 Ca 0.14 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1awp h SER 57 Cb 0.31 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1awp h SER 57 CO -0.33 0.53 0.01 0.15 -1.14 0.00 0.00 176.83 176.05 1awp h PHE 58 N 0.57 0.00 -0.05 3.45 3.57 -0.84 -2.66 116.94 120.98 1awp h PHE 58 Ca 0.15 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.52 1awp h PHE 58 Cb 0.11 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1awp h PHE 58 CO -0.01 -0.01 -0.63 0.93 -2.23 0.00 0.00 178.31 176.36 1awp h GLU 59 N 0.05 0.17 -0.09 1.11 4.39 -0.97 -3.24 114.58 116.01 1awp h GLU 59 Ca 0.06 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 1awp h GLU 59 Cb 0.07 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1awp h GLU 59 CO -0.10 0.74 -0.32 -0.44 -1.16 0.00 0.00 179.01 177.73 1awp h ASP 60 N 0.12 0.17 1.22 1.42 5.19 -0.49 -1.99 116.42 122.06 1awp h ASP 60 Ca -0.01 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1awp h ASP 60 Cb 1.13 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1awp h ASP 60 CO 0.09 0.48 0.00 0.18 -3.12 0.00 0.00 179.24 176.88 1awp n LEU 61 N -4.12 0.72 -2.05 1.55 4.77 -1.02 -4.93 117.00 111.92 1awp n LEU 61 Ca -0.01 0.60 -0.02 0.00 -0.03 0.00 0.00 56.01 56.54 1awp n LEU 61 Cb 0.40 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1awp n LEU 61 CO 0.40 -0.29 0.08 0.61 -1.33 0.00 0.00 177.39 176.86 1awp n GLY 62 N 0.91 -0.29 3.78 -0.72 0.00 -0.75 -4.99 105.19 103.14 1awp n GLY 62 Ca 0.05 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.05 2.85 0.79 1.61 3.76 -1.24 -5.02 115.29 114.98 1awp s HIS 63 Ca 0.06 1.56 -0.12 0.00 -0.15 0.00 0.00 55.06 56.41 1awp s HIS 63 Cb -0.01 -3.19 0.07 0.00 1.11 0.00 0.00 32.58 30.56 1awp s HIS 63 CO 0.25 -1.20 1.12 -1.54 -0.85 0.00 0.00 174.74 172.52 1awp s SER 64 N -1.84 4.62 0.55 1.40 1.04 -1.26 -4.88 113.70 113.33 1awp s SER 64 Ca 0.69 1.10 0.23 0.00 0.48 0.00 0.00 55.95 58.46 1awp s SER 64 Cb -0.21 -1.79 1.53 0.00 0.10 0.00 0.00 66.02 65.66 1awp s SER 64 CO 0.24 -1.86 2.18 -0.65 0.98 0.00 0.00 173.24 174.13 1awp h PRO 65 N -1.02 0.00 -0.02 4.02 0.11 -2.00 -0.56 132.00 132.53 1awp h PRO 65 Ca -0.47 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 1awp h PRO 65 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1awp h PRO 65 CO 0.62 0.03 -0.69 -0.44 -0.21 0.00 0.00 178.00 177.30 1awp h ASP 66 N 0.00 0.13 -0.35 -2.05 3.32 -2.00 -2.26 116.42 113.22 1awp h ASP 66 Ca -0.00 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.81 1awp h ASP 66 Cb 0.05 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1awp h ASP 66 CO 0.00 0.78 -0.38 0.00 -1.72 0.00 0.00 179.24 177.93 1awp h ALA 67 N 1.22 0.51 -0.63 3.45 0.00 -1.48 -2.70 119.26 119.63 1awp h ALA 67 Ca -0.01 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1awp h ALA 67 Cb 1.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1awp h ALA 67 CO 0.10 0.61 0.24 0.00 0.00 0.00 0.00 179.25 180.20 1awp h ARG 68 N 0.66 0.93 -0.58 0.00 3.08 -1.22 -2.70 114.38 114.56 1awp h ARG 68 Ca 0.05 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1awp h ARG 68 Cb 0.97 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 1awp h ARG 68 CO 0.09 0.77 0.05 0.93 -1.07 0.00 0.00 179.97 180.74 1awp h GLU 69 N 0.91 0.96 0.00 0.04 4.39 -1.31 -2.69 114.58 116.88 1awp h GLU 69 Ca 0.21 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1awp h GLU 69 Cb 0.19 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1awp h GLU 69 CO -0.02 0.91 -0.01 0.52 -1.16 0.00 0.00 179.01 179.26 1awp h MET 70 N 0.90 0.00 -0.86 2.33 2.86 -1.14 -2.49 114.93 116.52 1awp h MET 70 Ca 0.18 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.89 1awp h MET 70 Cb 0.45 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 1awp h MET 70 CO 0.02 0.01 0.56 -0.07 1.06 0.00 0.00 176.91 178.48 1awp h LEU 71 N 0.00 0.82 -1.90 1.22 3.38 -1.42 -2.78 115.31 114.63 1awp h LEU 71 Ca -0.00 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.27 1awp h LEU 71 Cb 0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1awp h LEU 71 CO 0.00 0.51 0.73 0.11 0.09 0.00 0.00 178.44 179.89 1awp h LYS 72 N 0.92 0.06 -0.00 1.13 1.57 -1.59 0.45 116.57 119.12 1awp h LYS 72 Ca 0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1awp h LYS 72 Cb 0.28 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1awp h LYS 72 CO -0.15 0.04 -0.07 0.00 -0.57 0.00 0.00 179.45 178.71 1awp n GLN 73 N -4.28 0.53 0.00 3.15 10.64 -1.05 -3.58 117.38 122.79 1awp n GLN 73 Ca 0.22 -0.11 0.05 0.00 -1.83 0.00 0.00 57.00 55.34 1awp n GLN 73 Cb 1.06 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.96 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 -1.14 0.00 -1.80 2.61 4.01 0.14 -5.00 117.16 115.97 1awp n TYR 74 Ca 0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.46 1awp n TYR 74 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.22 1.93 0.00 -0.72 5.04 -1.14 -0.87 117.35 120.37 1awp s TYR 75 Ca 0.10 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1awp s TYR 75 Cb 0.08 -4.10 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1awp s TYR 75 CO 0.22 -4.65 0.19 0.44 -1.34 0.00 0.00 175.55 170.40 1awp n ILE 76 N 5.09 0.00 0.00 3.14 -5.35 -0.53 -4.93 119.36 116.79 1awp n ILE 76 Ca 0.18 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1awp n ILE 76 Cb 0.40 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.47 -0.66 3.74 3.28 0.00 -1.23 -4.78 105.19 106.02 1awp n GLY 77 Ca 0.00 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 5.19 0.14 1.61 1.11 0.79 -0.21 116.67 125.31 1awp s ASP 78 Ca 0.00 -0.27 -0.29 0.00 0.18 0.00 0.00 52.55 52.17 1awp s ASP 78 Cb 0.00 -1.25 -0.07 0.00 1.07 0.00 0.00 42.92 42.67 1awp s ASP 78 CO 0.00 0.06 0.92 -0.69 1.18 0.00 0.00 175.17 176.64 1awp s VAL 79 N -1.82 4.41 0.21 -1.27 1.01 -0.57 -1.09 120.40 121.28 1awp s VAL 79 Ca 0.30 2.00 -0.32 0.00 0.00 0.00 0.00 61.98 63.95 1awp s VAL 79 Cb -0.09 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.86 1awp s VAL 79 CO 0.22 0.38 1.42 1.57 0.00 0.00 0.00 175.10 178.69 1awp n HIS 80 N 2.38 2.09 -0.33 5.22 -0.00 0.21 -4.83 115.22 119.96 1awp n HIS 80 Ca 0.00 0.42 0.18 0.00 0.46 0.00 0.00 57.72 58.79 1awp n HIS 80 Cb 0.49 -2.46 0.39 0.00 -0.12 0.00 0.00 29.99 28.29 1awp n HIS 80 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1awp h PRO 81 N 4.54 0.43 0.00 1.57 0.11 -1.93 0.10 132.00 136.82 1awp h PRO 81 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1awp h PRO 81 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1awp h PRO 81 CO 0.78 0.28 0.00 -0.91 -0.21 0.00 0.00 178.00 177.95 1awp h ASN 82 N 0.44 0.00 0.06 -2.05 2.35 -1.99 -2.11 115.58 112.28 1awp h ASN 82 Ca 0.65 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.40 1awp h ASN 82 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 1awp h ASN 82 CO -0.54 0.00 -0.56 0.47 -1.65 0.00 0.00 177.43 175.15 1awp n ASP 83 N -2.41 1.54 -4.69 5.81 8.00 0.35 -4.89 116.55 120.25 1awp n ASP 83 Ca 0.00 -1.22 -0.42 0.00 0.71 0.00 0.00 54.79 53.87 1awp n ASP 83 Cb 0.14 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 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 -2.63 4.25 0.86 0.64 1.02 -0.80 -4.99 118.68 117.03 1awp s LEU 84 Ca 0.17 1.40 -0.12 0.00 0.02 0.00 0.00 54.13 55.60 1awp s LEU 84 Cb 0.18 -3.40 0.10 0.00 0.02 0.00 0.00 46.19 43.09 1awp s LEU 84 CO 0.64 -0.36 1.10 -0.54 0.02 0.00 0.00 176.35 177.20 1awp s LYS 85 N 1.74 1.60 0.00 1.70 -0.14 -1.26 -5.05 119.74 118.32 1awp s LYS 85 Ca 0.45 0.73 0.00 0.00 -1.36 0.00 0.00 55.97 55.79 1awp s LYS 85 Cb -0.18 -1.86 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 1awp s LYS 85 CO 0.18 -1.98 0.26 -2.30 -0.76 0.00 0.00 175.35 170.75