#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrz n ASP 2 N 0.00 -6.20 -1.32 6.12 2.03 -1.26 -4.13 116.55 111.79 1rrz n ASP 2 Ca 0.00 0.53 0.18 0.00 0.52 0.00 0.00 54.79 56.02 1rrz n ASP 2 Cb 0.00 -1.52 -0.05 0.00 -0.72 0.00 0.00 41.12 38.83 1rrz n ASP 2 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1rrz n HIS 3 N -2.56 -3.35 -0.06 -0.67 -0.00 -1.26 -0.56 115.22 106.76 1rrz n HIS 3 Ca 0.00 1.69 -0.04 0.00 0.46 0.00 0.00 57.72 59.84 1rrz n HIS 3 Cb 0.23 -3.04 -0.16 0.00 -0.12 0.00 0.00 29.99 26.90 1rrz n HIS 3 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1rrz n SER 4 N -4.02 0.08 -0.08 0.26 2.88 -1.26 -3.93 113.62 107.54 1rrz n SER 4 Ca -0.00 0.04 -0.21 0.00 -1.33 0.00 0.00 58.87 57.36 1rrz n SER 4 Cb 0.61 1.19 -0.12 0.00 -0.75 0.00 0.00 64.21 65.14 1rrz n SER 4 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1rrz n LEU 5 N -2.63 2.67 0.02 2.46 4.77 -1.26 -3.68 117.00 119.34 1rrz n LEU 5 Ca -0.23 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.70 1rrz n LEU 5 Cb 0.97 -0.98 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 1rrz n LEU 5 CO 0.44 0.82 0.76 -1.13 -1.33 0.00 0.00 177.39 176.95 1rrz h ASN 6 N -0.15 -0.01 -0.35 -1.43 -0.73 -1.80 -2.08 115.58 109.03 1rrz h ASN 6 Ca -0.52 -0.23 -0.01 0.00 1.87 0.00 0.00 56.30 57.41 1rrz h ASN 6 Cb 1.87 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 40.45 1rrz h ASN 6 CO -0.07 0.23 0.18 0.28 -0.37 0.00 0.00 177.43 177.67 1rrz h SER 7 N -0.24 0.45 -0.57 1.15 0.02 -0.95 -2.71 113.55 110.69 1rrz h SER 7 Ca -0.00 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1rrz h SER 7 Cb 0.24 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1rrz h SER 7 CO 0.00 0.43 0.38 0.25 -1.14 0.00 0.00 176.83 176.75 1rrz h LEU 8 N 0.43 0.58 0.22 5.07 5.85 -1.62 0.78 115.31 126.62 1rrz h LEU 8 Ca 0.12 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1rrz h LEU 8 Cb 0.10 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1rrz h LEU 8 CO -0.02 0.40 -0.11 0.78 -0.34 0.00 0.00 178.44 179.16 1rrz h ASN 9 N 0.67 -0.26 1.86 1.25 2.35 -1.04 -2.09 115.58 118.32 1rrz h ASN 9 Ca 0.23 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1rrz h ASN 9 Cb 0.07 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1rrz h ASN 9 CO -0.06 -0.18 -0.03 -0.55 -1.65 0.00 0.00 177.43 174.96 1rrz h ASN 10 N -0.30 0.00 0.78 5.81 -1.07 -1.45 -3.05 115.58 116.30 1rrz h ASN 10 Ca -0.03 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.22 1rrz h ASN 10 Cb 0.23 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.46 1rrz h ASN 10 CO 0.05 0.03 -0.59 -0.26 0.07 0.00 0.00 177.43 176.73 1rrz h PHE 11 N 0.00 0.00 0.00 4.14 0.04 -0.58 -2.03 116.94 118.51 1rrz h PHE 11 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1rrz h PHE 11 Cb 0.96 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 1rrz h PHE 11 CO 0.00 0.59 -0.75 -0.44 -0.60 0.00 0.00 178.31 177.11 1rrz h ASP 12 N 0.00 0.00 -0.43 2.17 5.19 -1.40 -2.82 116.42 119.13 1rrz h ASP 12 Ca -0.01 -0.27 -0.05 0.00 -0.62 0.00 0.00 57.03 56.09 1rrz h ASP 12 Cb 1.13 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 1rrz h ASP 12 CO 0.08 1.05 0.08 0.15 -3.12 0.00 0.00 179.24 177.48 1rrz h PHE 13 N -1.00 0.74 0.00 4.55 3.57 -1.68 -2.87 116.94 120.25 1rrz h PHE 13 Ca -0.14 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.18 1rrz h PHE 13 Cb 0.83 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1rrz h PHE 13 CO -0.04 0.71 -0.35 1.25 -2.23 0.00 0.00 178.31 177.65 1rrz h LEU 14 N 0.56 0.00 -0.35 0.59 7.12 -1.58 -3.20 115.31 118.46 1rrz h LEU 14 Ca 0.13 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.22 1rrz h LEU 14 Cb 0.36 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.40 1rrz h LEU 14 CO 0.01 0.35 -0.21 0.00 -0.13 0.00 0.00 178.44 178.46 1rrz h ALA 15 N 1.65 0.03 0.00 1.25 0.00 -1.26 1.93 119.26 122.87 1rrz h ALA 15 Ca -0.00 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1rrz h ALA 15 Cb 1.12 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1rrz h ALA 15 CO 0.05 -0.59 -0.50 0.07 0.00 0.00 0.00 179.25 178.28 1rrz h ARG 16 N -0.15 0.00 0.00 0.00 0.11 -1.63 -3.05 114.38 109.66 1rrz h ARG 16 Ca 0.18 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.08 1rrz h ARG 16 Cb 0.43 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.48 1rrz h ARG 16 CO -0.45 0.50 -0.91 0.77 0.10 0.00 0.00 179.97 179.98 1rrz h SER 17 N 0.00 0.00 0.18 0.08 0.02 -1.03 -3.03 113.55 109.78 1rrz h SER 17 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1rrz h SER 17 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1rrz h SER 17 CO 0.06 0.77 -0.09 -0.26 -1.14 0.00 0.00 176.83 176.18 1rrz h PHE 18 N 0.00 -0.23 -0.23 3.45 0.04 0.31 0.42 116.94 120.70 1rrz h PHE 18 Ca -0.04 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 1rrz h PHE 18 Cb 1.63 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.84 1rrz h PHE 18 CO 0.00 -0.13 -0.24 0.00 -0.60 0.00 0.00 178.31 177.34 1rrz h ALA 19 N 0.56 1.15 -0.30 2.45 0.00 -1.67 -2.53 119.26 118.91 1rrz h ALA 19 Ca -0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1rrz h ALA 19 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1rrz h ALA 19 CO 0.04 0.54 -0.13 -0.09 0.00 0.00 0.00 179.25 179.61 1rrz h ARG 20 N 0.39 0.62 0.00 0.00 2.43 -1.32 -2.75 114.38 113.75 1rrz h ARG 20 Ca 0.06 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1rrz h ARG 20 Cb 0.64 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1rrz h ARG 20 CO 0.05 0.84 -0.01 0.52 -1.51 0.00 0.00 179.97 179.85 1rrz h MET 21 N 0.38 0.00 -0.52 0.20 2.86 -0.02 -2.79 114.93 115.04 1rrz h MET 21 Ca 0.07 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 1rrz h MET 21 Cb 0.65 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1rrz h MET 21 CO 0.04 0.01 -0.12 1.25 1.06 0.00 0.00 176.91 179.16 1rrz h HIS 22 N 0.00 1.11 -0.08 -0.22 -0.00 -1.14 0.20 115.15 115.02 1rrz h HIS 22 Ca -0.00 -0.23 -0.19 0.00 -0.00 0.00 0.00 60.37 59.95 1rrz h HIS 22 Cb 0.30 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1rrz h HIS 22 CO 0.00 1.04 -0.74 0.00 -0.00 0.00 0.00 177.93 178.23 1rrz h ALA 23 N 0.97 0.57 0.00 5.26 0.00 -1.54 -3.26 119.26 121.26 1rrz h ALA 23 Ca 0.14 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 1rrz h ALA 23 Cb 0.68 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1rrz h ALA 23 CO 0.05 0.76 -1.14 0.93 0.00 0.00 0.00 179.25 179.85 1rrz h GLU 24 N 0.29 0.00 -0.55 0.00 5.08 -1.52 -3.48 114.58 114.39 1rrz h GLU 24 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1rrz h GLU 24 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1rrz h GLU 24 CO 0.13 0.56 0.00 0.41 -1.00 0.00 0.00 179.01 179.10 1rrz n GLY 25 N 1.37 0.95 3.96 -3.84 0.00 0.67 -5.08 105.19 103.22 1rrz n GLY 25 Ca -0.06 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1rrz n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrz s ARG 26 N -3.38 3.46 0.10 1.61 0.52 -0.88 -4.79 118.95 115.59 1rrz s ARG 26 Ca 0.00 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 54.35 1rrz s ARG 26 Cb 0.00 -2.79 -0.07 0.00 0.52 0.00 0.00 34.95 32.61 1rrz s ARG 26 CO 0.00 0.31 1.35 -1.25 0.02 0.00 0.00 175.30 175.73 1rrz s PRO 27 N -4.08 4.34 -0.06 3.54 0.04 -1.26 -4.80 135.00 132.72 1rrz s PRO 27 Ca 0.37 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1rrz s PRO 27 Cb -0.09 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1rrz s PRO 27 CO 0.32 -0.41 -0.04 0.08 0.04 0.00 0.00 177.00 176.99 1rrz s VAL 28 N 1.17 0.58 -0.99 -0.36 1.01 -1.26 -5.06 120.40 115.49 1rrz s VAL 28 Ca 0.63 -0.08 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1rrz s VAL 28 Cb -0.35 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1rrz s VAL 28 CO 0.30 0.26 1.92 -0.62 0.00 0.00 0.00 175.10 176.96 1rrz s ASP 29 N 1.34 5.19 0.35 3.32 -1.08 -1.26 -4.72 116.67 119.81 1rrz s ASP 29 Ca -0.04 -1.02 0.10 0.00 -0.52 0.00 0.00 52.55 51.07 1rrz s ASP 29 Cb -0.13 -2.57 0.64 0.00 -1.46 0.00 0.00 42.92 39.40 1rrz s ASP 29 CO -0.02 -2.77 1.80 0.40 0.52 0.00 0.00 175.17 175.10 1rrz h ILE 30 N 6.91 1.27 -0.95 4.11 1.08 -1.98 -2.54 117.51 125.40 1rrz h ILE 30 Ca 0.14 -1.28 0.18 0.00 -0.39 0.00 0.00 64.86 63.51 1rrz h ILE 30 Cb 0.98 1.60 -0.10 0.00 -3.07 0.00 0.00 36.82 36.23 1rrz h ILE 30 CO 1.23 0.37 0.55 0.25 -0.69 0.00 0.00 178.15 179.86 1rrz h LEU 31 N 0.11 0.68 -1.01 1.44 7.12 -1.98 0.60 115.31 122.28 1rrz h LEU 31 Ca 0.01 0.10 0.14 0.00 0.13 0.00 0.00 57.88 58.26 1rrz h LEU 31 Cb 0.66 -0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 40.68 1rrz h LEU 31 CO 0.05 0.24 0.63 0.00 -0.13 0.00 0.00 178.44 179.23 1rrz h ALA 32 N 1.62 1.57 0.00 1.25 0.00 -1.85 0.51 119.26 122.36 1rrz h ALA 32 Ca 0.54 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.36 1rrz h ALA 32 Cb 0.83 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1rrz h ALA 32 CO -0.39 0.15 -0.62 0.28 0.00 0.00 0.00 179.25 178.67 1rrz h VAL 33 N 0.93 1.11 0.00 0.00 2.07 -0.01 -3.23 116.25 117.12 1rrz h VAL 33 Ca 0.52 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1rrz h VAL 33 Cb 0.61 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1rrz h VAL 33 CO -0.30 0.61 0.00 0.71 0.02 0.00 0.00 177.57 178.61 1rrz h THR 34 N 0.00 0.00 -0.60 2.57 1.35 0.13 -3.28 112.91 113.08 1rrz h THR 34 Ca -0.01 -0.48 0.11 0.00 -0.55 0.00 0.00 66.41 65.48 1rrz h THR 34 Cb 1.41 1.46 -0.08 0.00 -1.73 0.00 0.00 68.15 69.21 1rrz h THR 34 CO 0.08 0.00 0.13 1.23 -0.25 0.00 0.00 175.52 176.71 1rrz h GLY 35 N 4.24 0.77 -7.36 5.82 0.00 -1.27 -3.30 103.07 101.95 1rrz h GLY 35 Ca 0.00 -0.03 -0.73 0.00 0.00 0.00 0.00 47.33 46.57 1rrz h GLY 35 CO 0.00 -0.11 -0.41 0.21 0.00 0.00 0.00 176.54 176.24 1rrz s ASN 36 N -5.30 5.80 0.11 0.19 3.84 -1.24 -4.68 114.94 113.66 1rrz s ASN 36 Ca -0.13 -1.56 -0.32 0.00 0.21 0.00 0.00 52.86 51.06 1rrz s ASN 36 Cb 0.18 -2.05 -0.12 0.00 -0.55 0.00 0.00 41.25 38.71 1rrz s ASN 36 CO 0.74 -0.61 1.78 0.23 -2.79 0.00 0.00 177.10 176.45 1rrz n MET 37 N 5.00 2.60 -4.37 0.43 2.81 -1.25 -4.99 117.12 117.35 1rrz n MET 37 Ca -0.10 0.94 -0.27 0.00 -1.81 0.00 0.00 57.70 56.46 1rrz n MET 37 Cb 0.42 -2.80 -0.12 0.00 -0.71 0.00 0.00 33.22 30.01 1rrz n MET 37 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1rrz s ASP 38 N 2.39 3.13 0.17 7.83 1.01 -1.26 -5.02 116.67 124.91 1rrz s ASP 38 Ca 0.82 -0.78 -0.14 0.00 0.71 0.00 0.00 52.55 53.15 1rrz s ASP 38 Cb -0.55 -0.21 0.06 0.00 1.01 0.00 0.00 42.92 43.24 1rrz s ASP 38 CO 0.39 0.12 1.84 -0.33 0.21 0.00 0.00 175.17 177.39 1rrz h GLU 39 N 3.65 0.68 0.00 8.23 3.07 -2.02 -2.32 114.58 125.87 1rrz h GLU 39 Ca -0.48 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.19 1rrz h GLU 39 Cb 1.19 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1rrz h GLU 39 CO 0.43 0.45 -0.72 1.49 -1.40 0.00 0.00 179.01 179.26 1rrz h GLU 40 N 0.70 0.00 0.00 2.33 4.22 -2.01 -3.16 114.58 116.66 1rrz h GLU 40 Ca 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.60 1rrz h GLU 40 Cb -0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1rrz h GLU 40 CO -0.04 0.72 -0.12 1.25 -2.18 0.00 0.00 179.01 178.64 1rrz h HIS 41 N 0.00 0.00 0.43 0.92 2.76 -1.83 -1.22 115.15 116.22 1rrz h HIS 41 Ca -0.01 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1rrz h HIS 41 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1rrz h HIS 41 CO 0.00 0.12 -0.21 0.00 -1.30 0.00 0.00 177.93 176.54 1rrz h ARG 42 N 0.00 -0.56 0.00 5.26 3.08 -1.45 0.18 114.38 120.89 1rrz h ARG 42 Ca -0.00 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1rrz h ARG 42 Cb 0.23 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1rrz h ARG 42 CO 0.02 -0.38 -0.21 0.00 -1.07 0.00 0.00 179.97 178.33 1rrz h THR 43 N -0.59 1.03 0.14 2.04 1.03 -1.73 -2.66 112.91 112.17 1rrz h THR 43 Ca -0.06 -0.75 -0.01 0.00 -0.01 0.00 0.00 66.41 65.59 1rrz h THR 43 Cb 0.45 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 1rrz h THR 43 CO 0.09 0.21 -0.07 -0.25 -0.01 0.00 0.00 175.52 175.49 1rrz h TRP 44 N 0.00 -0.17 0.00 0.00 2.91 -1.03 -2.62 115.95 115.04 1rrz h TRP 44 Ca -0.00 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1rrz h TRP 44 Cb 0.40 0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.10 1rrz h TRP 44 CO 0.00 0.03 -0.04 0.35 -1.03 0.00 0.00 178.44 177.74 1rrz h PHE 45 N -0.34 0.00 0.59 2.65 3.04 -0.43 -1.27 116.94 121.18 1rrz h PHE 45 Ca -0.02 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1rrz h PHE 45 Cb 0.27 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 1rrz h PHE 45 CO -0.02 0.04 -0.40 0.00 -2.02 0.00 0.00 178.31 175.91 1rrz h ALA 47 N -0.65 0.95 0.00 0.00 0.00 -1.55 -2.97 119.26 115.04 1rrz h ALA 47 Ca -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1rrz h ALA 47 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1rrz h ALA 47 CO 0.05 0.22 -0.61 0.54 0.00 0.00 0.00 179.25 179.45 1rrz n ARG 48 N -3.24 0.13 0.11 0.00 5.12 -0.49 -3.05 116.66 115.24 1rrz n ARG 48 Ca 0.01 0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.84 1rrz n ARG 48 Cb 0.47 -1.57 -0.08 0.00 -1.16 0.00 0.00 32.46 30.13 1rrz n ARG 48 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1rrz h TYR 49 N 0.00 -0.31 -0.37 -1.55 0.05 0.36 -0.74 116.97 114.41 1rrz h TYR 49 Ca 0.00 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1rrz h TYR 49 Cb 0.60 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 1rrz h TYR 49 CO 0.00 0.06 0.09 0.00 -1.05 0.00 0.00 178.16 177.26 1rrz h ALA 50 N -0.31 0.48 0.32 3.88 0.00 -1.71 -0.03 119.26 121.89 1rrz h ALA 50 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rrz h ALA 50 Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1rrz h ALA 50 CO 0.06 0.15 -0.37 2.35 0.00 0.00 0.00 179.25 181.44 1rrz h TRP 51 N 0.44 -1.01 -0.74 0.00 7.01 -1.58 -0.74 115.95 119.33 1rrz h TRP 51 Ca 0.11 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.17 1rrz h TRP 51 Cb 0.30 0.40 -0.04 0.00 -2.10 0.00 0.00 29.16 27.72 1rrz h TRP 51 CO 0.02 -0.51 0.49 -0.92 -2.79 0.00 0.00 178.44 174.72 1rrz h TYR 52 N -0.73 0.86 -0.32 2.65 3.20 -1.07 -0.25 116.97 121.31 1rrz h TYR 52 Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1rrz h TYR 52 Cb 0.68 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1rrz h TYR 52 CO -0.24 0.49 0.20 0.00 -1.64 0.00 0.00 178.16 176.97 1rrz h GLN 54 N 0.41 0.32 -0.20 0.00 -0.00 -0.74 -3.10 115.11 111.80 1rrz h GLN 54 Ca 0.11 -0.54 -0.20 0.00 -0.00 0.00 0.00 58.65 58.02 1rrz h GLN 54 Cb -0.01 0.20 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 1rrz h GLN 54 CO -0.02 1.24 -0.67 -0.56 -0.00 0.00 0.00 178.83 178.82 1rrz h GLN 55 N 0.09 0.78 -0.16 0.06 -0.00 -1.04 -3.12 115.11 111.72 1rrz h GLN 55 Ca -0.17 -0.57 -0.10 0.00 -0.00 0.00 0.00 58.65 57.80 1rrz h GLN 55 Cb 2.02 0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 29.58 1rrz h GLN 55 CO 0.21 1.19 -0.34 1.98 -0.00 0.00 0.00 178.83 181.87 1rrz h MET 56 N 0.57 0.34 -0.40 0.06 4.05 -1.26 0.35 114.93 118.62 1rrz h MET 56 Ca -0.02 -0.14 0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1rrz h MET 56 Cb 1.29 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1rrz h MET 56 CO 0.14 0.64 0.27 0.52 0.23 0.00 0.00 176.91 178.71 1rrz h MET 57 N 0.29 0.44 -0.01 0.39 2.86 -1.48 0.17 114.93 117.59 1rrz h MET 57 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1rrz h MET 57 Cb 0.75 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1rrz h MET 57 CO 0.06 0.29 -0.69 1.04 1.06 0.00 0.00 176.91 178.67 1rrz n GLN 58 N -4.48 0.50 -0.07 1.72 3.00 -0.94 -4.31 117.38 112.79 1rrz n GLN 58 Ca 0.04 -0.39 -0.11 0.00 -0.01 0.00 0.00 57.00 56.53 1rrz n GLN 58 Cb 0.13 -1.49 -0.15 0.00 0.00 0.00 0.00 30.24 28.73 1rrz n GLN 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rrz n ALA 59 N -0.91 1.46 -2.51 -1.58 0.00 0.07 -4.69 120.51 112.35 1rrz n ALA 59 Ca 0.07 -1.12 -0.41 0.00 0.00 0.00 0.00 53.44 51.99 1rrz n ALA 59 Cb 0.38 -0.39 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 1rrz n ALA 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1rrz s ARG 60 N -2.53 3.73 0.18 0.00 3.52 0.48 -4.29 118.95 120.05 1rrz s ARG 60 Ca -0.11 -1.74 0.00 0.00 -0.13 0.00 0.00 55.73 53.75 1rrz s ARG 60 Cb 0.07 -5.47 0.00 0.00 -1.56 0.00 0.00 34.95 27.99 1rrz s ARG 60 CO 0.80 -2.47 0.00 0.39 -0.81 0.00 0.00 175.30 173.22 1rrz n GLU 61 N 8.47 0.00 0.00 5.12 4.71 -1.26 -4.95 120.64 132.73 1rrz n GLU 61 Ca 0.46 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.62 1rrz n GLU 61 Cb 0.47 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.89 1rrz n GLU 61 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 177.13 178.69 1rrz n LEU 62 N -3.05 0.41 -4.38 -4.62 -0.00 -1.26 -5.05 117.00 99.05 1rrz n LEU 62 Ca 0.00 -0.65 -0.20 0.00 -0.00 0.00 0.00 56.01 55.16 1rrz n LEU 62 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1rrz n LEU 62 CO 0.00 0.10 -0.38 -1.83 -0.00 0.00 0.00 177.39 175.28 1rrz s GLU 63 N -0.84 1.44 -0.04 1.47 4.04 -1.26 -5.15 118.70 118.35 1rrz s GLU 63 Ca 0.01 -1.71 0.06 0.00 0.04 0.00 0.00 54.97 53.37 1rrz s GLU 63 Cb 0.01 -1.03 -0.02 0.00 0.02 0.00 0.00 34.13 33.11 1rrz s GLU 63 CO 0.05 0.05 -0.23 -1.17 -1.84 0.00 0.00 175.26 172.13 1rrz s LEU 64 N -3.38 2.23 0.02 1.83 0.20 -1.26 -4.68 118.68 113.64 1rrz s LEU 64 Ca 0.27 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.67 1rrz s LEU 64 Cb 0.03 -1.41 0.00 0.00 -0.43 0.00 0.00 46.19 44.38 1rrz s LEU 64 CO 0.10 0.29 0.00 1.21 -0.29 0.00 0.00 176.35 177.66 1rrz n GLU 65 N 2.65 0.00 0.00 1.98 0.00 -1.26 -5.16 120.64 118.84 1rrz n GLU 65 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.13 1rrz n GLU 65 Cb 0.52 -0.29 0.55 0.00 0.00 0.00 0.00 31.44 32.22 1rrz n GLU 65 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71