#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrz s ASP 2 N 0.00 5.77 0.00 7.83 -4.77 -1.26 -5.03 116.67 119.21 1rrz s ASP 2 Ca 0.00 -0.18 0.09 0.00 -3.30 0.00 0.00 52.55 49.15 1rrz s ASP 2 Cb 0.00 -1.04 0.15 0.00 -1.09 0.00 0.00 42.92 40.94 1rrz s ASP 2 CO 0.00 -0.66 0.98 0.00 0.70 0.00 0.00 175.17 176.19 1rrz n HIS 3 N -1.85 0.17 -0.05 2.11 1.44 -1.26 -3.98 115.22 111.81 1rrz n HIS 3 Ca 0.04 -0.24 -0.21 0.00 -2.01 0.00 0.00 57.72 55.30 1rrz n HIS 3 Cb 0.59 -0.01 -0.13 0.00 0.12 0.00 0.00 29.99 30.55 1rrz n HIS 3 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 1rrz h SER 4 N 1.67 0.20 0.01 4.39 0.02 -1.96 -3.31 113.55 114.57 1rrz h SER 4 Ca 0.00 -0.74 -0.38 0.00 -0.84 0.00 0.00 61.79 59.83 1rrz h SER 4 Cb 0.52 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 1rrz h SER 4 CO 0.00 1.57 -2.44 0.18 -1.14 0.00 0.00 176.83 175.00 1rrz n LEU 5 N -4.10 2.34 -0.00 5.07 7.99 -1.26 -3.93 117.00 123.11 1rrz n LEU 5 Ca -0.28 -0.10 -0.11 0.00 -0.01 0.00 0.00 56.01 55.51 1rrz n LEU 5 Cb 0.81 -0.62 -0.09 0.00 -0.11 0.00 0.00 43.42 43.41 1rrz n LEU 5 CO 0.31 0.84 0.42 -1.13 -1.51 0.00 0.00 177.39 176.33 1rrz h ASN 6 N 0.00 -0.08 -0.25 -1.43 -1.24 -1.81 -2.68 115.58 108.09 1rrz h ASN 6 Ca -0.57 -0.54 -0.02 0.00 0.71 0.00 0.00 56.30 55.88 1rrz h ASN 6 Cb 1.98 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 41.03 1rrz h ASN 6 CO -0.06 0.58 0.10 -1.28 -1.29 0.00 0.00 177.43 175.48 1rrz h SER 7 N -0.83 0.40 0.09 1.15 0.87 -1.69 -1.54 113.55 112.01 1rrz h SER 7 Ca -0.01 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1rrz h SER 7 Cb 0.61 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1rrz h SER 7 CO 0.02 0.39 -0.04 0.25 -0.53 0.00 0.00 176.83 176.92 1rrz h LEU 8 N 0.44 -0.10 -0.70 2.23 6.46 -1.68 0.74 115.31 122.70 1rrz h LEU 8 Ca 0.11 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1rrz h LEU 8 Cb 0.14 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1rrz h LEU 8 CO -0.01 0.26 0.45 0.78 -0.62 0.00 0.00 178.44 179.30 1rrz h ASN 9 N -0.48 0.82 -0.36 1.25 4.21 -1.29 -2.25 115.58 117.48 1rrz h ASN 9 Ca -0.01 -0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.41 1rrz h ASN 9 Cb 0.40 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.39 1rrz h ASN 9 CO 0.02 0.60 0.02 -1.13 -1.29 0.00 0.00 177.43 175.65 1rrz h ASN 10 N 0.95 0.61 -0.60 5.81 -1.24 -1.26 -2.89 115.58 116.96 1rrz h ASN 10 Ca 0.26 -0.30 0.08 0.00 0.71 0.00 0.00 56.30 57.05 1rrz h ASN 10 Cb -0.09 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.76 1rrz h ASN 10 CO -0.05 0.75 0.40 0.15 -1.29 0.00 0.00 177.43 177.39 1rrz h PHE 11 N 0.44 0.52 0.64 0.67 3.04 -0.49 0.15 116.94 121.91 1rrz h PHE 11 Ca 0.10 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1rrz h PHE 11 Cb 0.43 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 38.78 1rrz h PHE 11 CO 0.03 0.27 -0.31 -0.44 -2.02 0.00 0.00 178.31 175.84 1rrz h ASP 12 N 0.51 -0.73 0.38 0.41 3.32 -1.20 0.55 116.42 119.65 1rrz h ASP 12 Ca 0.27 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1rrz h ASP 12 Cb 0.39 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1rrz h ASP 12 CO -0.08 -0.35 -0.39 2.19 -1.72 0.00 0.00 179.24 178.90 1rrz h PHE 13 N -1.18 0.02 0.07 4.55 -5.15 -1.46 -3.05 116.94 110.74 1rrz h PHE 13 Ca -0.09 -0.01 -0.27 0.00 -0.20 0.00 0.00 57.97 57.41 1rrz h PHE 13 Cb 0.68 -0.01 -0.02 0.00 0.22 0.00 0.00 35.95 36.83 1rrz h PHE 13 CO 0.00 0.41 -1.35 1.25 -2.00 0.00 0.00 178.31 176.62 1rrz h LEU 14 N 0.02 0.24 -0.61 2.10 7.12 -0.72 -3.19 115.31 120.26 1rrz h LEU 14 Ca -0.00 -0.30 0.12 0.00 0.13 0.00 0.00 57.88 57.83 1rrz h LEU 14 Cb 0.70 -0.08 -0.12 0.00 -0.53 0.00 0.00 40.66 40.63 1rrz h LEU 14 CO 0.05 1.25 -0.22 0.00 -0.13 0.00 0.00 178.44 179.39 1rrz h ALA 15 N 0.72 0.27 -0.55 1.25 0.00 0.22 2.31 119.26 123.48 1rrz h ALA 15 Ca -0.16 0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1rrz h ALA 15 Cb 1.94 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 20.28 1rrz h ALA 15 CO 0.15 -0.51 -0.07 0.07 0.00 0.00 0.00 179.25 178.90 1rrz h ARG 16 N -0.06 1.00 0.00 0.00 -0.00 -1.68 -3.00 114.38 110.64 1rrz h ARG 16 Ca 0.28 -0.34 -0.13 0.00 -0.00 0.00 0.00 59.98 59.79 1rrz h ARG 16 Cb 0.50 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 30.37 1rrz h ARG 16 CO -0.66 1.02 -0.60 1.03 -0.00 0.00 0.00 179.97 180.76 1rrz h SER 17 N 0.90 0.00 -0.01 0.08 0.87 -0.81 -3.15 113.55 111.43 1rrz h SER 17 Ca 0.15 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1rrz h SER 17 Cb 0.61 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 1rrz h SER 17 CO 0.04 0.60 -0.06 -0.26 -0.53 0.00 0.00 176.83 176.62 1rrz h PHE 18 N 0.00 -0.16 -0.37 2.24 0.04 0.39 0.33 116.94 119.41 1rrz h PHE 18 Ca -0.01 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1rrz h PHE 18 Cb 1.29 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.49 1rrz h PHE 18 CO 0.00 -0.10 -0.14 0.00 -0.60 0.00 0.00 178.31 177.47 1rrz h ALA 19 N 0.90 1.07 -0.41 2.45 0.00 -1.63 -2.69 119.26 118.94 1rrz h ALA 19 Ca 0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1rrz h ALA 19 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1rrz h ALA 19 CO -0.08 0.57 -0.29 -0.09 0.00 0.00 0.00 179.25 179.36 1rrz h ARG 20 N 0.60 0.92 0.00 0.00 2.43 -1.40 -2.76 114.38 114.18 1rrz h ARG 20 Ca 0.10 -0.44 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1rrz h ARG 20 Cb 0.58 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1rrz h ARG 20 CO 0.04 1.10 -0.08 0.52 -1.51 0.00 0.00 179.97 180.04 1rrz h MET 21 N 0.75 0.00 -0.77 0.20 2.86 -0.19 -2.48 114.93 115.30 1rrz h MET 21 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1rrz h MET 21 Cb 0.87 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 1rrz h MET 21 CO 0.08 0.08 0.50 1.25 1.06 0.00 0.00 176.91 179.88 1rrz h HIS 22 N 0.00 0.98 0.00 -0.22 6.17 -1.17 0.18 115.15 121.09 1rrz h HIS 22 Ca -0.00 0.02 -0.24 0.00 0.71 0.00 0.00 60.37 60.86 1rrz h HIS 22 Cb 0.27 -0.33 -0.04 0.00 2.52 0.00 0.00 27.41 29.83 1rrz h HIS 22 CO 0.00 0.63 -1.24 0.00 0.71 0.00 0.00 177.93 178.03 1rrz h ALA 23 N 1.27 0.49 0.00 5.26 0.00 -1.56 -3.31 119.26 121.41 1rrz h ALA 23 Ca 0.28 -1.10 -0.11 0.00 0.00 0.00 0.00 54.91 53.99 1rrz h ALA 23 Cb -0.10 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1rrz h ALA 23 CO -0.06 1.36 -0.52 0.93 0.00 0.00 0.00 179.25 180.97 1rrz h GLU 24 N 0.00 0.00 -0.35 0.00 5.08 -1.17 -3.47 114.58 114.67 1rrz h GLU 24 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1rrz h GLU 24 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1rrz h GLU 24 CO 0.11 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 179.05 1rrz n GLY 25 N 0.43 0.75 3.81 -3.84 0.00 0.03 -5.06 105.19 101.30 1rrz n GLY 25 Ca -0.00 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.86 3.00 0.07 1.61 0.52 -1.11 -4.92 118.95 114.26 1rrz s ARG 26 Ca 0.00 -0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 1rrz s ARG 26 Cb 0.00 -2.76 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 1rrz s ARG 26 CO 0.00 0.54 1.29 -1.25 0.02 0.00 0.00 175.30 175.90 1rrz s PRO 27 N -2.69 4.37 -0.06 3.54 0.04 -1.26 -4.78 135.00 134.16 1rrz s PRO 27 Ca 0.31 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.28 1rrz s PRO 27 Cb -0.12 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1rrz s PRO 27 CO 0.24 -0.36 -0.18 0.08 0.04 0.00 0.00 177.00 176.82 1rrz s VAL 28 N 1.25 1.52 -1.00 -0.36 1.01 -1.26 -5.04 120.40 116.51 1rrz s VAL 28 Ca 0.61 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.63 1rrz s VAL 28 Cb -0.32 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 1rrz s VAL 28 CO 0.29 0.44 1.90 -1.81 0.00 0.00 0.00 175.10 175.91 1rrz s ASP 29 N 0.30 5.27 0.45 3.32 1.01 -1.23 -4.74 116.67 121.06 1rrz s ASP 29 Ca -0.11 -1.05 0.21 0.00 0.71 0.00 0.00 52.55 52.31 1rrz s ASP 29 Cb -0.15 -2.57 1.08 0.00 1.01 0.00 0.00 42.92 42.29 1rrz s ASP 29 CO 0.04 -2.68 1.94 0.40 0.21 0.00 0.00 175.17 175.08 1rrz h ILE 30 N 6.89 0.84 -0.88 0.77 1.08 -1.97 -2.57 117.51 121.66 1rrz h ILE 30 Ca 0.15 -0.90 0.17 0.00 -0.39 0.00 0.00 64.86 63.88 1rrz h ILE 30 Cb 0.98 1.54 -0.10 0.00 -3.07 0.00 0.00 36.82 36.17 1rrz h ILE 30 CO 1.24 0.23 0.45 0.25 -0.69 0.00 0.00 178.15 179.63 1rrz h LEU 31 N 0.00 0.52 -1.15 1.44 7.12 -1.92 0.63 115.31 121.95 1rrz h LEU 31 Ca -0.00 0.11 0.07 0.00 0.13 0.00 0.00 57.88 58.19 1rrz h LEU 31 Cb 0.52 0.03 -0.06 0.00 -0.53 0.00 0.00 40.66 40.62 1rrz h LEU 31 CO 0.03 0.18 0.59 0.00 -0.13 0.00 0.00 178.44 179.11 1rrz h ALA 32 N 1.60 1.54 0.00 1.25 0.00 -1.86 -0.89 119.26 120.90 1rrz h ALA 32 Ca 0.50 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 1rrz h ALA 32 Cb 0.77 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1rrz h ALA 32 CO -0.40 0.31 -0.37 0.28 0.00 0.00 0.00 179.25 179.07 1rrz h VAL 33 N 1.00 0.74 0.00 0.00 2.07 0.06 -3.21 116.25 116.90 1rrz h VAL 33 Ca 0.40 -1.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.09 1rrz h VAL 33 Cb 0.26 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1rrz h VAL 33 CO -0.16 0.37 -0.55 0.71 0.02 0.00 0.00 177.57 177.96 1rrz h THR 34 N 0.00 0.95 0.02 2.57 1.35 0.43 -1.45 112.91 116.78 1rrz h THR 34 Ca -0.00 -2.33 -0.21 0.00 -0.55 0.00 0.00 66.41 63.32 1rrz h THR 34 Cb 1.09 2.46 0.02 0.00 -1.73 0.00 0.00 68.15 69.99 1rrz h THR 34 CO 0.05 0.54 -0.82 1.23 -0.25 0.00 0.00 175.52 176.26 1rrz h GLY 35 N 3.43 0.58 0.00 5.82 0.00 -1.42 -3.38 103.07 108.10 1rrz h GLY 35 Ca -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 47.33 46.22 1rrz h GLY 35 CO 0.07 0.94 -0.30 -0.57 0.00 0.00 0.00 176.54 176.68 1rrz h ASN 36 N 0.08 0.00 -3.16 0.19 -1.24 -1.64 -3.46 115.58 106.34 1rrz h ASN 36 Ca -0.11 -0.52 -0.58 0.00 0.71 0.00 0.00 56.30 55.80 1rrz h ASN 36 Cb 1.52 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.53 1rrz h ASN 36 CO 0.16 0.93 -0.17 -0.32 -1.29 0.00 0.00 177.43 176.74 1rrz s MET 37 N -2.07 3.90 0.15 6.67 1.75 -0.54 -4.96 119.30 124.21 1rrz s MET 37 Ca -0.15 0.38 0.00 0.00 -1.25 0.00 0.00 55.69 54.67 1rrz s MET 37 Cb 0.00 -3.05 0.00 0.00 2.84 0.00 0.00 34.83 34.62 1rrz s MET 37 CO 0.43 0.58 0.00 -0.25 -0.65 0.00 0.00 175.02 175.12 1rrz n ASP 38 N 1.17 -0.46 0.25 1.11 8.00 -1.26 -4.23 116.55 121.12 1rrz n ASP 38 Ca -0.09 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1rrz n ASP 38 Cb 0.52 0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 42.13 1rrz n ASP 38 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1rrz h GLU 39 N 0.00 -0.73 0.00 -1.24 3.07 -1.97 -1.94 114.58 111.76 1rrz h GLU 39 Ca 0.00 0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 1rrz h GLU 39 Cb 0.00 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1rrz h GLU 39 CO 0.00 -0.49 -0.24 1.49 -1.40 0.00 0.00 179.01 178.37 1rrz h GLU 40 N -0.76 0.00 -0.59 2.33 4.22 -2.00 -3.10 114.58 114.67 1rrz h GLU 40 Ca -0.06 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.44 1rrz h GLU 40 Cb 0.63 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1rrz h GLU 40 CO 0.01 0.24 0.39 1.25 -2.18 0.00 0.00 179.01 178.73 1rrz h HIS 41 N 0.00 0.56 -0.59 0.92 2.76 -1.72 -0.50 115.15 116.59 1rrz h HIS 41 Ca -0.00 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1rrz h HIS 41 Cb 0.85 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.57 1rrz h HIS 41 CO 0.00 0.30 0.31 0.00 -1.30 0.00 0.00 177.93 177.24 1rrz h ARG 42 N 0.56 0.56 -0.02 5.26 -0.00 -1.28 0.63 114.38 120.09 1rrz h ARG 42 Ca 0.26 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.62 1rrz h ARG 42 Cb 0.30 -0.13 0.01 0.00 0.00 0.00 0.00 29.97 30.15 1rrz h ARG 42 CO -0.08 0.37 -0.33 1.15 0.00 0.00 0.00 179.97 181.09 1rrz h THR 43 N 0.58 1.49 0.08 2.04 2.02 -1.56 -2.62 112.91 114.93 1rrz h THR 43 Ca 0.27 -1.89 0.01 0.00 0.77 0.00 0.00 66.41 65.56 1rrz h THR 43 Cb 0.18 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1rrz h THR 43 CO -0.18 0.53 -0.09 -0.25 0.37 0.00 0.00 175.52 175.90 1rrz h TRP 44 N -0.33 -0.24 0.00 3.16 2.91 -0.83 -2.06 115.95 118.57 1rrz h TRP 44 Ca -0.04 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 1rrz h TRP 44 Cb 1.04 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.78 1rrz h TRP 44 CO 0.16 -0.14 -0.03 0.35 -1.03 0.00 0.00 178.44 177.74 1rrz h PHE 45 N -0.20 0.00 0.51 2.65 3.04 0.16 -1.61 116.94 121.49 1rrz h PHE 45 Ca 0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1rrz h PHE 45 Cb 0.20 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1rrz h PHE 45 CO -0.12 0.03 -0.42 0.00 -2.02 0.00 0.00 178.31 175.78 1rrz h ALA 47 N -0.62 0.95 -0.00 0.00 0.00 -1.56 -2.91 119.26 115.11 1rrz h ALA 47 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rrz h ALA 47 Cb 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rrz h ALA 47 CO -0.01 0.33 -0.41 0.54 0.00 0.00 0.00 179.25 179.69 1rrz n ARG 48 N -3.34 0.26 0.09 0.00 3.00 -0.62 -3.17 116.66 112.89 1rrz n ARG 48 Ca 0.01 -0.15 -0.09 0.00 -0.01 0.00 0.00 57.85 57.60 1rrz n ARG 48 Cb 0.49 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.40 1rrz n ARG 48 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1rrz h TYR 49 N 0.37 -0.30 -0.59 -1.55 0.05 0.40 -0.37 116.97 114.98 1rrz h TYR 49 Ca 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1rrz h TYR 49 Cb 0.50 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.31 1rrz h TYR 49 CO 0.00 0.02 0.27 0.00 -1.05 0.00 0.00 178.16 177.40 1rrz h ALA 50 N -0.65 0.76 0.60 3.88 0.00 -1.71 0.75 119.26 122.88 1rrz h ALA 50 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1rrz h ALA 50 Cb 0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rrz h ALA 50 CO 0.05 0.34 -0.35 2.35 0.00 0.00 0.00 179.25 181.65 1rrz h TRP 51 N 0.80 -0.91 -0.70 0.00 7.01 -1.61 -0.78 115.95 119.76 1rrz h TRP 51 Ca 0.20 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.29 1rrz h TRP 51 Cb 0.15 0.32 -0.05 0.00 -2.10 0.00 0.00 29.16 27.48 1rrz h TRP 51 CO 0.00 -0.53 0.46 -0.92 -2.79 0.00 0.00 178.44 174.66 1rrz h TYR 52 N -0.89 0.59 -0.26 2.65 3.20 -0.91 -0.04 116.97 121.32 1rrz h TYR 52 Ca -0.08 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1rrz h TYR 52 Cb 0.71 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1rrz h TYR 52 CO -0.08 0.27 0.12 0.00 -1.64 0.00 0.00 178.16 176.83 1rrz h GLN 54 N 0.28 0.36 -0.14 0.00 -0.00 -0.38 -3.04 115.11 112.19 1rrz h GLN 54 Ca 0.09 -0.50 -0.14 0.00 -0.00 0.00 0.00 58.65 58.09 1rrz h GLN 54 Cb 0.12 0.17 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 1rrz h GLN 54 CO -0.01 1.20 -0.53 -0.56 -0.00 0.00 0.00 178.83 178.92 1rrz h GLN 55 N 0.15 0.40 -0.05 0.06 -0.00 -1.02 -3.06 115.11 111.60 1rrz h GLN 55 Ca -0.12 -0.24 -0.16 0.00 -0.00 0.00 0.00 58.65 58.13 1rrz h GLN 55 Cb 1.82 0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 29.31 1rrz h GLN 55 CO 0.19 0.83 -0.67 0.52 -0.00 0.00 0.00 178.83 179.71 1rrz h MET 56 N 0.31 0.21 -0.61 0.06 2.86 -1.31 -1.85 114.93 114.60 1rrz h MET 56 Ca 0.01 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1rrz h MET 56 Cb 1.04 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1rrz h MET 56 CO 0.09 0.80 0.40 0.52 1.06 0.00 0.00 176.91 179.79 1rrz h MET 57 N 0.15 0.81 -0.00 1.72 2.86 -1.43 0.31 114.93 119.35 1rrz h MET 57 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1rrz h MET 57 Cb 1.20 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1rrz h MET 57 CO 0.10 0.54 -0.65 1.04 1.06 0.00 0.00 176.91 179.00 1rrz n GLN 58 N -4.44 0.02 -0.07 1.72 6.02 -1.16 -4.24 117.38 115.23 1rrz n GLN 58 Ca 0.06 -0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.86 1rrz n GLN 58 Cb 0.05 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.67 1rrz n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rrz n ALA 59 N -1.47 1.27 -1.61 -1.58 0.00 -0.70 -4.85 120.51 111.57 1rrz n ALA 59 Ca 0.05 -0.94 -0.39 0.00 0.00 0.00 0.00 53.44 52.17 1rrz n ALA 59 Cb 0.33 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.54 2.55 0.01 0.00 6.06 0.99 -4.69 118.95 121.33 1rrz s ARG 60 Ca -0.26 1.62 0.00 0.00 -2.50 0.00 0.00 55.73 54.60 1rrz s ARG 60 Cb 0.08 -4.49 0.00 0.00 0.06 0.00 0.00 34.95 30.60 1rrz s ARG 60 CO 0.70 -2.77 0.00 0.39 -2.50 0.00 0.00 175.30 171.12 1rrz n GLU 61 N 8.91 0.00 -3.65 5.12 4.71 -1.26 -4.98 120.64 129.48 1rrz n GLU 61 Ca 0.33 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.40 1rrz n GLU 61 Cb 0.51 -0.41 -0.02 0.00 -1.01 0.00 0.00 31.44 30.51 1rrz n GLU 61 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 1rrz s LEU 62 N -5.87 -0.34 0.38 -4.62 2.34 -1.26 -5.15 118.68 104.15 1rrz s LEU 62 Ca 0.00 -0.29 0.00 0.00 0.06 0.00 0.00 54.13 53.90 1rrz s LEU 62 Cb 0.00 2.43 0.00 0.00 -0.56 0.00 0.00 46.19 48.06 1rrz s LEU 62 CO 0.00 -1.01 0.00 -1.84 -1.06 0.00 0.00 176.35 172.44 1rrz n GLU 63 N -0.40 -2.95 -2.54 1.48 0.28 -1.26 -4.72 120.64 110.52 1rrz n GLU 63 Ca -0.09 2.03 -0.40 0.00 -0.16 0.00 0.00 57.16 58.54 1rrz n GLU 63 Cb 0.62 -3.58 -0.05 0.00 1.43 0.00 0.00 31.44 29.86 1rrz n GLU 63 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1rrz s LEU 64 N -7.11 4.56 0.00 -1.84 0.20 -1.26 -4.92 118.68 108.31 1rrz s LEU 64 Ca 0.00 2.18 0.00 0.00 0.69 0.00 0.00 54.13 57.00 1rrz s LEU 64 Cb 0.00 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 1rrz s LEU 64 CO 0.00 -0.08 0.00 1.21 -0.29 0.00 0.00 176.35 177.19 1rrz n GLU 65 N 1.21 0.00 -0.48 1.98 2.13 -1.26 -5.13 120.64 119.09 1rrz n GLU 65 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1rrz n GLU 65 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1rrz n GLU 65 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30