#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 0.94 -3.75 6.12 5.68 -1.26 -5.08 116.55 119.20 1rrz n ASP 2 Ca 0.00 -2.16 -0.13 0.00 -0.50 0.00 0.00 54.79 52.00 1rrz n ASP 2 Cb 0.00 -0.25 -0.13 0.00 -1.14 0.00 0.00 41.12 39.60 1rrz n ASP 2 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1rrz s HIS 3 N -2.94 -0.25 -0.27 2.11 -3.43 -1.26 -5.06 115.29 104.19 1rrz s HIS 3 Ca 0.24 0.64 -0.12 0.00 -0.80 0.00 0.00 55.06 55.02 1rrz s HIS 3 Cb 0.36 0.01 -0.14 0.00 -1.43 0.00 0.00 32.58 31.39 1rrz s HIS 3 CO -0.05 -0.18 -0.26 0.43 -2.00 0.00 0.00 174.74 172.68 1rrz n SER 4 N 3.95 1.96 -0.18 7.38 7.64 -1.26 -3.81 113.62 129.29 1rrz n SER 4 Ca -0.23 0.26 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 1rrz n SER 4 Cb 0.54 -0.76 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1rrz n SER 4 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rrz h LEU 5 N -0.79 0.97 -0.78 -3.43 -0.00 -2.00 -2.00 115.31 107.29 1rrz h LEU 5 Ca -0.64 -0.34 -0.09 0.00 -0.00 0.00 0.00 57.88 56.81 1rrz h LEU 5 Cb 1.65 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 42.03 1rrz h LEU 5 CO -0.33 1.08 -0.07 -1.13 -0.00 0.00 0.00 178.44 177.99 1rrz h ASN 6 N 0.84 0.84 0.05 -0.43 -1.24 -1.98 -2.48 115.58 111.19 1rrz h ASN 6 Ca 0.14 -0.24 -0.13 0.00 0.71 0.00 0.00 56.30 56.78 1rrz h ASN 6 Cb 0.62 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 1rrz h ASN 6 CO 0.04 0.94 -0.43 -1.28 -1.29 0.00 0.00 177.43 175.42 1rrz h SER 7 N 0.78 0.50 0.16 1.15 0.87 -1.63 -1.49 113.55 113.89 1rrz h SER 7 Ca 0.14 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1rrz h SER 7 Cb 0.56 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1rrz h SER 7 CO 0.03 0.86 -0.08 0.25 -0.53 0.00 0.00 176.83 177.37 1rrz h LEU 8 N 0.38 -0.18 -0.71 2.23 6.46 -1.13 -0.72 115.31 121.64 1rrz h LEU 8 Ca 0.03 -0.24 -0.07 0.00 -0.12 0.00 0.00 57.88 57.48 1rrz h LEU 8 Cb 0.91 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.86 1rrz h LEU 8 CO 0.08 0.15 0.16 0.78 -0.62 0.00 0.00 178.44 178.98 1rrz h ASN 9 N -0.53 1.08 -0.72 1.25 2.35 -1.48 -2.86 115.58 114.67 1rrz h ASN 9 Ca -0.02 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1rrz h ASN 9 Cb 0.41 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1rrz h ASN 9 CO 0.04 1.05 0.24 -1.13 -1.65 0.00 0.00 177.43 175.97 1rrz h ASN 10 N 1.08 1.05 -0.66 5.81 -1.24 -1.25 -0.99 115.58 119.38 1rrz h ASN 10 Ca 0.22 -0.20 0.04 0.00 0.71 0.00 0.00 56.30 57.06 1rrz h ASN 10 Cb 0.40 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 39.13 1rrz h ASN 10 CO 0.01 0.97 0.40 0.15 -1.29 0.00 0.00 177.43 177.66 1rrz h PHE 11 N 1.07 0.74 0.00 0.67 3.04 -0.89 0.09 116.94 121.65 1rrz h PHE 11 Ca 0.23 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.21 1rrz h PHE 11 Cb 0.29 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1rrz h PHE 11 CO 0.02 0.40 -0.07 -0.44 -2.02 0.00 0.00 178.31 176.21 1rrz h ASP 12 N 0.77 0.00 -0.21 0.41 5.19 -1.43 -2.89 116.42 118.26 1rrz h ASP 12 Ca 0.27 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.70 1rrz h ASP 12 Cb 0.07 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 1rrz h ASP 12 CO -0.13 0.29 0.10 0.15 -3.12 0.00 0.00 179.24 176.53 1rrz h PHE 13 N -0.51 0.19 0.00 4.55 3.57 -1.29 -2.49 116.94 120.96 1rrz h PHE 13 Ca 0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1rrz h PHE 13 Cb 0.07 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1rrz h PHE 13 CO -0.03 0.11 -0.22 1.25 -2.23 0.00 0.00 178.31 177.19 1rrz h LEU 14 N 0.22 0.00 -0.66 0.59 7.12 -1.08 -3.12 115.31 118.38 1rrz h LEU 14 Ca 0.09 0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.21 1rrz h LEU 14 Cb 0.02 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.07 1rrz h LEU 14 CO -0.06 0.22 0.24 0.00 -0.13 0.00 0.00 178.44 178.71 1rrz h ALA 15 N 1.78 0.88 -0.28 1.25 0.00 -1.21 1.76 119.26 123.43 1rrz h ALA 15 Ca -0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1rrz h ALA 15 Cb 0.75 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1rrz h ALA 15 CO 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 179.25 179.06 1rrz h ARG 16 N 0.40 0.50 0.00 0.00 3.08 -1.60 -2.98 114.38 113.79 1rrz h ARG 16 Ca 0.35 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1rrz h ARG 16 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1rrz h ARG 16 CO -0.36 0.66 -0.42 1.03 -1.07 0.00 0.00 179.97 179.81 1rrz h SER 17 N 0.29 0.00 -0.05 7.04 0.87 -1.26 -3.08 113.55 117.36 1rrz h SER 17 Ca 0.08 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1rrz h SER 17 Cb 0.43 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 1rrz h SER 17 CO 0.02 0.42 -0.19 -0.26 -0.53 0.00 0.00 176.83 176.29 1rrz h PHE 18 N 0.00 -0.50 -0.24 2.24 -1.00 0.28 0.80 116.94 118.52 1rrz h PHE 18 Ca -0.00 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 1rrz h PHE 18 Cb 0.96 0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 1rrz h PHE 18 CO 0.00 -0.27 -0.25 0.00 -1.61 0.00 0.00 178.31 176.18 1rrz h ALA 19 N 0.67 1.12 -0.23 2.45 0.00 -1.59 -3.03 119.26 118.66 1rrz h ALA 19 Ca 0.07 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 1rrz h ALA 19 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rrz h ALA 19 CO -0.22 0.55 -0.64 -0.09 0.00 0.00 0.00 179.25 178.85 1rrz h ARG 20 N 0.41 0.81 0.00 0.00 2.43 -1.25 -3.10 114.38 113.68 1rrz h ARG 20 Ca 0.06 -0.57 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 1rrz h ARG 20 Cb 0.65 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1rrz h ARG 20 CO 0.05 1.19 -0.07 0.52 -1.51 0.00 0.00 179.97 180.14 1rrz h MET 21 N 0.59 0.00 -0.64 0.20 2.86 0.71 -2.78 114.93 115.87 1rrz h MET 21 Ca -0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1rrz h MET 21 Cb 1.25 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.85 1rrz h MET 21 CO 0.13 0.07 0.33 1.25 1.06 0.00 0.00 176.91 179.76 1rrz h HIS 22 N 0.00 0.60 0.00 -0.22 -0.00 -1.45 0.26 115.15 114.34 1rrz h HIS 22 Ca -0.00 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 60.22 1rrz h HIS 22 Cb 0.18 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.39 1rrz h HIS 22 CO 0.00 0.26 -0.87 0.00 -0.00 0.00 0.00 177.93 177.32 1rrz h ALA 23 N 1.36 0.46 0.00 5.26 0.00 -1.66 -3.30 119.26 121.39 1rrz h ALA 23 Ca 0.30 -0.79 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1rrz h ALA 23 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1rrz h ALA 23 CO -0.21 1.06 -0.73 0.93 0.00 0.00 0.00 179.25 180.30 1rrz h GLU 24 N 0.00 0.00 -2.27 0.00 5.08 -1.29 -3.48 114.58 112.63 1rrz h GLU 24 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1rrz h GLU 24 Cb 1.66 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.93 1rrz h GLU 24 CO 0.11 0.73 -0.13 0.41 -1.00 0.00 0.00 179.01 179.13 1rrz n GLY 25 N 1.27 0.49 3.64 -3.84 0.00 0.86 -5.06 105.19 102.55 1rrz n GLY 25 Ca 0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.71 2.22 0.11 1.61 0.52 -1.21 -4.87 118.95 112.63 1rrz s ARG 26 Ca 0.05 -1.52 -0.31 0.00 -0.52 0.00 0.00 55.73 53.43 1rrz s ARG 26 Cb -0.02 -2.09 -0.08 0.00 0.52 0.00 0.00 34.95 33.27 1rrz s ARG 26 CO 0.13 0.28 1.44 -1.25 0.02 0.00 0.00 175.30 175.92 1rrz s PRO 27 N -3.70 4.29 -0.08 3.54 0.04 -1.26 -4.77 135.00 133.06 1rrz s PRO 27 Ca 0.33 2.13 -0.01 0.00 0.04 0.00 0.00 61.00 63.49 1rrz s PRO 27 Cb -0.05 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.22 1rrz s PRO 27 CO 0.20 -0.51 -0.01 0.08 0.04 0.00 0.00 177.00 176.80 1rrz s VAL 28 N 1.39 0.47 -1.01 -0.36 1.01 -1.26 -4.79 120.40 115.85 1rrz s VAL 28 Ca 0.66 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.45 1rrz s VAL 28 Cb -0.38 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 1rrz s VAL 28 CO 0.30 0.27 1.97 -0.62 0.00 0.00 0.00 175.10 177.01 1rrz s ASP 29 N 1.93 5.00 0.24 3.32 -1.08 -1.24 -4.70 116.67 120.13 1rrz s ASP 29 Ca 0.05 -1.01 0.02 0.00 -0.52 0.00 0.00 52.55 51.08 1rrz s ASP 29 Cb -0.12 -2.57 0.27 0.00 -1.46 0.00 0.00 42.92 39.04 1rrz s ASP 29 CO -0.06 -2.98 1.60 0.40 0.52 0.00 0.00 175.17 174.66 1rrz h ILE 30 N 6.87 1.32 -0.92 4.11 1.08 -1.91 -2.82 117.51 125.25 1rrz h ILE 30 Ca 0.13 -1.68 0.14 0.00 -0.39 0.00 0.00 64.86 63.07 1rrz h ILE 30 Cb 0.98 1.72 -0.09 0.00 -3.07 0.00 0.00 36.82 36.36 1rrz h ILE 30 CO 1.20 0.51 0.53 0.25 -0.69 0.00 0.00 178.15 179.96 1rrz h LEU 31 N 0.33 0.72 -1.14 1.44 7.12 -1.88 0.34 115.31 122.23 1rrz h LEU 31 Ca 0.02 0.07 0.21 0.00 0.13 0.00 0.00 57.88 58.31 1rrz h LEU 31 Cb 0.95 -0.06 -0.10 0.00 -0.53 0.00 0.00 40.66 40.93 1rrz h LEU 31 CO 0.08 0.33 0.62 0.00 -0.13 0.00 0.00 178.44 179.34 1rrz h ALA 32 N 1.55 1.85 0.00 1.25 0.00 -1.72 0.44 119.26 122.64 1rrz h ALA 32 Ca 0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1rrz h ALA 32 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rrz h ALA 32 CO -0.32 -0.22 -0.23 0.28 0.00 0.00 0.00 179.25 178.76 1rrz n VAL 33 N -4.71 0.19 -0.88 0.00 0.31 0.11 -3.80 118.33 109.55 1rrz n VAL 33 Ca 0.23 -0.11 -0.13 0.00 -0.01 0.00 0.00 64.34 64.32 1rrz n VAL 33 Cb 0.65 -0.28 0.22 0.00 -0.91 0.00 0.00 33.84 33.52 1rrz n VAL 33 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1rrz n THR 34 N -1.77 2.80 0.00 2.52 -2.24 0.16 -4.73 114.28 111.02 1rrz n THR 34 Ca 0.06 -1.56 0.00 0.00 -2.27 0.00 0.00 64.05 60.28 1rrz n THR 34 Cb 0.38 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1rrz n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rrz n GLY 35 N -0.52 -2.60 2.70 3.38 0.00 -1.20 -4.86 105.19 102.10 1rrz n GLY 35 Ca 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.40 1rrz n GLY 35 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rrz n ASN 36 N -0.30 -1.91 -2.69 1.61 5.15 -1.26 -5.01 115.26 110.85 1rrz n ASN 36 Ca 0.00 -2.76 -0.06 0.00 -0.60 0.00 0.00 54.58 51.15 1rrz n ASN 36 Cb 0.00 1.38 0.10 0.00 -0.53 0.00 0.00 39.78 40.73 1rrz n ASN 36 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 1rrz n MET 37 N -0.11 1.07 -3.21 1.20 0.00 -1.26 -5.10 117.12 109.72 1rrz n MET 37 Ca -0.03 -1.67 -0.00 0.00 0.00 0.00 0.00 57.70 56.00 1rrz n MET 37 Cb 0.76 -0.03 -0.03 0.00 0.00 0.00 0.00 33.22 33.92 1rrz n MET 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1rrz s ASP 38 N -1.07 -0.93 -0.15 3.17 -1.08 -1.26 -5.03 116.67 110.32 1rrz s ASP 38 Ca 0.19 0.41 -0.19 0.00 -0.52 0.00 0.00 52.55 52.44 1rrz s ASP 38 Cb 0.36 1.81 -0.24 0.00 -1.46 0.00 0.00 42.92 43.39 1rrz s ASP 38 CO -0.08 -0.29 0.45 -0.33 0.52 0.00 0.00 175.17 175.44 1rrz h GLU 39 N 8.05 0.12 0.00 4.34 3.07 -1.99 -3.34 114.58 124.83 1rrz h GLU 39 Ca -0.15 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.51 1rrz h GLU 39 Cb 1.16 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1rrz h GLU 39 CO 0.23 1.10 -0.04 1.49 -1.40 0.00 0.00 179.01 180.39 1rrz h GLU 40 N -0.65 0.00 -0.03 2.33 4.22 -2.04 -2.94 114.58 115.47 1rrz h GLU 40 Ca -0.28 0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.17 1rrz h GLU 40 Cb 1.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 1rrz h GLU 40 CO -0.05 0.04 0.13 1.25 -2.18 0.00 0.00 179.01 178.20 1rrz h HIS 41 N 0.00 0.00 0.34 0.92 2.76 -1.97 -2.94 115.15 114.26 1rrz h HIS 41 Ca -0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1rrz h HIS 41 Cb 0.50 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 1rrz h HIS 41 CO 0.00 0.00 -0.51 0.00 -1.30 0.00 0.00 177.93 176.12 1rrz h ARG 42 N 0.00 -0.87 -0.13 5.26 -0.00 -1.73 0.33 114.38 117.25 1rrz h ARG 42 Ca 0.02 0.06 -0.13 0.00 -0.50 0.00 0.00 59.98 59.43 1rrz h ARG 42 Cb 0.28 0.20 -0.01 0.00 0.00 0.00 0.00 29.97 30.44 1rrz h ARG 42 CO -0.00 -0.58 -0.47 0.00 0.00 0.00 0.00 179.97 178.92 1rrz h THR 43 N -0.90 1.33 -0.40 2.04 1.03 -1.79 -2.81 112.91 111.41 1rrz h THR 43 Ca -0.04 -1.67 0.02 0.00 -0.01 0.00 0.00 66.41 64.71 1rrz h THR 43 Cb 0.83 1.75 -0.03 0.00 -1.07 0.00 0.00 68.15 69.63 1rrz h THR 43 CO -0.16 0.50 0.23 -0.25 -0.01 0.00 0.00 175.52 175.83 1rrz h TRP 44 N 0.26 0.43 0.00 0.00 2.91 -1.30 -1.67 115.95 116.58 1rrz h TRP 44 Ca 0.02 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1rrz h TRP 44 Cb 0.93 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.44 1rrz h TRP 44 CO 0.02 0.25 -0.06 0.35 -1.03 0.00 0.00 178.44 177.97 1rrz h PHE 45 N 0.47 0.00 0.28 2.65 3.04 -0.24 -2.22 116.94 120.91 1rrz h PHE 45 Ca 0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1rrz h PHE 45 Cb 0.02 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 1rrz h PHE 45 CO -0.08 0.06 -0.34 0.00 -2.02 0.00 0.00 178.31 175.93 1rrz h ALA 47 N -0.14 0.91 0.00 0.00 0.00 -1.57 -3.03 119.26 115.42 1rrz h ALA 47 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1rrz h ALA 47 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1rrz h ALA 47 CO -0.10 0.40 -0.55 0.54 0.00 0.00 0.00 179.25 179.53 1rrz n ARG 48 N -3.34 0.17 0.13 0.00 5.12 -0.83 -3.01 116.66 114.91 1rrz n ARG 48 Ca 0.01 0.05 -0.12 0.00 -1.93 0.00 0.00 57.85 55.86 1rrz n ARG 48 Cb 0.54 -1.61 -0.07 0.00 -1.16 0.00 0.00 32.46 30.16 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 -0.35 -0.44 -1.55 0.05 0.37 0.00 116.97 115.04 1rrz h TYR 49 Ca 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1rrz h TYR 49 Cb 0.64 0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 1rrz h TYR 49 CO 0.00 0.00 0.16 0.00 -1.05 0.00 0.00 178.16 177.27 1rrz h ALA 50 N -0.41 0.58 0.50 3.88 0.00 -1.70 0.13 119.26 122.23 1rrz h ALA 50 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1rrz h ALA 50 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1rrz h ALA 50 CO 0.06 0.21 -0.45 2.35 0.00 0.00 0.00 179.25 181.42 1rrz h TRP 51 N 0.58 -1.22 -0.54 0.00 7.01 -1.56 -1.15 115.95 119.06 1rrz h TRP 51 Ca 0.15 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.19 1rrz h TRP 51 Cb 0.23 0.47 -0.03 0.00 -2.10 0.00 0.00 29.16 27.73 1rrz h TRP 51 CO 0.01 -0.62 0.36 -0.92 -2.79 0.00 0.00 178.44 174.48 1rrz h TYR 52 N -0.94 0.57 -0.14 2.65 3.20 -0.90 -1.03 116.97 120.38 1rrz h TYR 52 Ca -0.05 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1rrz h TYR 52 Cb 0.81 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1rrz h TYR 52 CO -0.21 0.33 0.08 0.00 -1.64 0.00 0.00 178.16 176.72 1rrz h GLN 54 N 0.15 0.49 -0.27 0.00 -0.00 -0.86 -2.90 115.11 111.73 1rrz h GLN 54 Ca 0.05 -0.76 -0.17 0.00 -0.00 0.00 0.00 58.65 57.77 1rrz h GLN 54 Cb 0.04 0.27 -0.00 0.00 -0.00 0.00 0.00 27.48 27.79 1rrz h GLN 54 CO -0.01 1.35 -0.52 -0.56 -0.00 0.00 0.00 178.83 179.10 1rrz h GLN 55 N 0.17 0.76 -0.09 0.06 -0.00 -1.22 -3.08 115.11 111.71 1rrz h GLN 55 Ca -0.20 -0.47 -0.15 0.00 -0.00 0.00 0.00 58.65 57.84 1rrz h GLN 55 Cb 2.02 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 29.54 1rrz h GLN 55 CO 0.24 1.09 -0.59 1.98 -0.00 0.00 0.00 178.83 181.56 1rrz h MET 56 N 0.59 0.31 -0.43 0.06 4.05 -1.23 -1.69 114.93 116.59 1rrz h MET 56 Ca 0.02 -0.21 0.07 0.00 -0.28 0.00 0.00 59.70 59.30 1rrz h MET 56 Cb 1.10 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.90 1rrz h MET 56 CO 0.11 0.81 0.29 0.52 0.23 0.00 0.00 176.91 178.87 1rrz h MET 57 N 0.23 0.29 0.00 0.39 2.86 -1.44 0.22 114.93 117.49 1rrz h MET 57 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1rrz h MET 57 Cb 1.10 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1rrz h MET 57 CO 0.10 0.19 -0.88 1.04 1.06 0.00 0.00 176.91 178.42 1rrz n GLN 58 N -4.47 0.42 -0.07 1.72 3.00 -1.03 -4.43 117.38 112.52 1rrz n GLN 58 Ca 0.06 0.08 -0.05 0.00 -0.01 0.00 0.00 57.00 57.08 1rrz n GLN 58 Cb 0.28 -1.72 -0.02 0.00 0.00 0.00 0.00 30.24 28.78 1rrz n GLN 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rrz h ALA 59 N 2.31 0.01 -3.76 -1.58 0.00 -0.05 -3.51 119.26 112.67 1rrz h ALA 59 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1rrz h ALA 59 Cb 0.84 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1rrz h ALA 59 CO 0.00 0.45 -0.92 -2.13 0.00 0.00 0.00 179.25 176.65 1rrz n ARG 60 N -4.63 -4.11 -3.93 0.00 0.63 0.59 -4.75 116.66 100.45 1rrz n ARG 60 Ca -0.07 3.16 -0.29 0.00 -0.92 0.00 0.00 57.85 59.72 1rrz n ARG 60 Cb 0.25 -3.87 0.01 0.00 0.45 0.00 0.00 32.46 29.30 1rrz n ARG 60 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1rrz n GLU 61 N -2.15 -4.63 -3.51 -0.14 4.71 -1.26 -4.95 120.64 108.72 1rrz n GLU 61 Ca 0.00 0.53 -0.00 0.00 -0.01 0.00 0.00 57.16 57.68 1rrz n GLU 61 Cb 0.34 -5.20 -0.05 0.00 -1.01 0.00 0.00 31.44 25.52 1rrz n GLU 61 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1rrz s LEU 62 N -7.10 -0.61 -1.13 -4.62 0.20 -1.26 -5.00 118.68 99.16 1rrz s LEU 62 Ca 0.43 0.88 -0.20 0.00 0.69 0.00 0.00 54.13 55.93 1rrz s LEU 62 Cb -0.22 1.76 -0.01 0.00 -0.43 0.00 0.00 46.19 47.28 1rrz s LEU 62 CO 0.85 -0.13 0.81 -0.62 -0.29 0.00 0.00 176.35 176.97 1rrz n GLU 63 N 4.59 -1.31 -0.09 1.98 -0.58 -1.26 -4.72 120.64 119.25 1rrz n GLU 63 Ca -0.13 0.49 -0.18 0.00 -0.42 0.00 0.00 57.16 56.92 1rrz n GLU 63 Cb 0.54 -4.26 -0.06 0.00 -0.57 0.00 0.00 31.44 27.09 1rrz n GLU 63 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1rrz n LEU 64 N -4.11 1.45 -0.02 -4.62 0.00 -1.26 -3.72 117.00 104.71 1rrz n LEU 64 Ca -0.09 0.25 -0.04 0.00 0.00 0.00 0.00 56.01 56.13 1rrz n LEU 64 Cb 0.59 -0.59 -0.02 0.00 0.00 0.00 0.00 43.42 43.41 1rrz n LEU 64 CO 0.66 0.23 -0.63 1.21 0.00 0.00 0.00 177.39 178.86 1rrz n GLU 65 N -3.94 0.09 0.00 1.96 0.00 -1.26 -4.84 120.64 112.65 1rrz n GLU 65 Ca -0.32 0.03 0.15 0.00 0.00 0.00 0.00 57.16 57.01 1rrz n GLU 65 Cb 0.69 -0.85 0.68 0.00 0.00 0.00 0.00 31.44 31.96 1rrz n GLU 65 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85