#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 -4.54 -4.32 6.12 9.92 -1.26 -4.85 116.55 117.62 1rrz n ASP 2 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 1rrz n ASP 2 Cb 0.00 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.37 1rrz n ASP 2 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1rrz s HIS 3 N 0.00 1.76 -0.06 1.24 3.76 -1.26 -4.98 115.29 115.74 1rrz s HIS 3 Ca 0.00 -0.49 -0.26 0.00 -0.15 0.00 0.00 55.06 54.17 1rrz s HIS 3 Cb 0.00 -0.88 -0.23 0.00 1.11 0.00 0.00 32.58 32.58 1rrz s HIS 3 CO 0.00 0.30 1.02 0.77 -0.85 0.00 0.00 174.74 175.98 1rrz h SER 4 N 3.27 0.14 0.00 1.40 0.02 -1.99 -3.25 113.55 113.14 1rrz h SER 4 Ca -0.42 -0.77 -0.39 0.00 -0.84 0.00 0.00 61.79 59.38 1rrz h SER 4 Cb 1.20 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 1rrz h SER 4 CO 0.51 0.88 -2.45 0.18 -1.14 0.00 0.00 176.83 174.81 1rrz n LEU 5 N -4.59 2.91 -0.00 5.07 7.99 -1.26 -3.94 117.00 123.18 1rrz n LEU 5 Ca -0.09 -0.11 -0.11 0.00 -0.01 0.00 0.00 56.01 55.68 1rrz n LEU 5 Cb 0.45 -0.89 -0.06 0.00 -0.11 0.00 0.00 43.42 42.81 1rrz n LEU 5 CO 0.37 0.91 0.87 -1.13 -1.51 0.00 0.00 177.39 176.90 1rrz h ASN 6 N -0.06 0.10 -0.27 -1.43 -0.73 -1.99 -1.71 115.58 109.49 1rrz h ASN 6 Ca -0.58 -0.06 -0.06 0.00 1.87 0.00 0.00 56.30 57.47 1rrz h ASN 6 Cb 1.86 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.42 1rrz h ASN 6 CO -0.11 0.14 -0.06 -1.28 -0.37 0.00 0.00 177.43 175.75 1rrz h SER 7 N 0.06 0.52 -0.13 1.15 0.87 -1.80 -2.76 113.55 111.45 1rrz h SER 7 Ca 0.03 -0.36 0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1rrz h SER 7 Cb 0.06 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1rrz h SER 7 CO -0.01 0.76 0.11 0.25 -0.53 0.00 0.00 176.83 177.41 1rrz h LEU 8 N 0.27 0.00 0.19 2.23 6.46 -1.66 0.33 115.31 123.12 1rrz h LEU 8 Ca 0.07 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1rrz h LEU 8 Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1rrz h LEU 8 CO 0.03 0.00 -0.09 -1.13 -0.62 0.00 0.00 178.44 176.62 1rrz h ASN 9 N 0.00 -0.22 1.35 1.25 -0.73 -1.01 -1.88 115.58 114.34 1rrz h ASN 9 Ca 0.06 -0.27 -0.04 0.00 1.87 0.00 0.00 56.30 57.92 1rrz h ASN 9 Cb 0.27 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.91 1rrz h ASN 9 CO -0.00 0.19 -0.19 -0.55 -0.37 0.00 0.00 177.43 176.51 1rrz h ASN 10 N -0.66 0.00 0.03 1.15 -1.07 -1.40 -2.99 115.58 110.64 1rrz h ASN 10 Ca -0.03 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.16 1rrz h ASN 10 Cb 0.47 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.74 1rrz h ASN 10 CO 0.04 0.19 -0.72 0.15 0.07 0.00 0.00 177.43 177.16 1rrz h PHE 11 N 0.00 0.68 0.08 4.14 3.04 -0.94 -2.68 116.94 121.26 1rrz h PHE 11 Ca -0.00 -0.39 -0.00 0.00 3.98 0.00 0.00 57.97 61.56 1rrz h PHE 11 Cb 0.92 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.36 1rrz h PHE 11 CO 0.00 1.22 -0.04 -0.44 -2.02 0.00 0.00 178.31 177.03 1rrz h ASP 12 N -0.06 -0.09 -0.84 0.41 5.19 -1.39 0.86 116.42 120.51 1rrz h ASP 12 Ca -0.10 -0.42 -0.02 0.00 -0.62 0.00 0.00 57.03 55.87 1rrz h ASP 12 Cb 1.44 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.93 1rrz h ASP 12 CO 0.14 0.39 0.44 2.19 -3.12 0.00 0.00 179.24 179.28 1rrz h PHE 13 N -0.59 1.17 0.00 4.55 -5.15 -1.68 -2.42 116.94 112.82 1rrz h PHE 13 Ca -0.01 -0.04 -0.09 0.00 -0.20 0.00 0.00 57.97 57.63 1rrz h PHE 13 Cb 0.50 -0.37 -0.01 0.00 0.22 0.00 0.00 35.95 36.28 1rrz h PHE 13 CO 0.08 0.83 -0.41 1.25 -2.00 0.00 0.00 178.31 178.06 1rrz h LEU 14 N 1.18 0.00 -0.33 2.10 7.12 -1.52 -3.20 115.31 120.65 1rrz h LEU 14 Ca 0.29 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.38 1rrz h LEU 14 Cb 0.06 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.11 1rrz h LEU 14 CO -0.04 0.41 -0.28 0.00 -0.13 0.00 0.00 178.44 178.40 1rrz h ALA 15 N 1.59 -0.13 -0.01 1.25 0.00 -0.29 1.92 119.26 123.59 1rrz h ALA 15 Ca -0.00 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1rrz h ALA 15 Cb 1.23 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1rrz h ALA 15 CO 0.05 -0.68 -0.54 0.07 0.00 0.00 0.00 179.25 178.15 1rrz h ARG 16 N -0.24 0.02 0.00 0.00 0.11 -1.65 -2.99 114.38 109.62 1rrz h ARG 16 Ca 0.16 -0.01 -0.15 0.00 0.10 0.00 0.00 59.98 60.08 1rrz h ARG 16 Cb 0.50 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 1rrz h ARG 16 CO -0.47 0.56 -0.70 1.03 0.10 0.00 0.00 179.97 180.50 1rrz h SER 17 N 0.02 0.00 -0.21 0.08 0.87 -1.08 -2.91 113.55 110.33 1rrz h SER 17 Ca -0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1rrz h SER 17 Cb 0.97 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 1rrz h SER 17 CO 0.07 0.70 0.12 -0.26 -0.53 0.00 0.00 176.83 176.93 1rrz h PHE 18 N 0.00 0.22 -0.12 2.24 0.04 0.31 0.55 116.94 120.17 1rrz h PHE 18 Ca -0.01 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1rrz h PHE 18 Cb 1.51 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.58 1rrz h PHE 18 CO 0.00 0.13 -0.59 0.00 -0.60 0.00 0.00 178.31 177.26 1rrz h ALA 19 N 1.09 0.77 -0.18 2.45 0.00 -1.63 -2.77 119.26 118.99 1rrz h ALA 19 Ca 0.08 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1rrz h ALA 19 Cb -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1rrz h ALA 19 CO -0.04 0.71 -0.28 -0.09 0.00 0.00 0.00 179.25 179.55 1rrz h ARG 20 N 0.29 0.50 0.00 0.00 2.43 -1.24 -2.97 114.38 113.39 1rrz h ARG 20 Ca -0.00 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.86 1rrz h ARG 20 Cb 1.11 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1rrz h ARG 20 CO 0.10 0.90 -0.02 0.52 -1.51 0.00 0.00 179.97 179.96 1rrz h MET 21 N 0.15 0.00 -0.86 0.20 2.86 0.07 -2.68 114.93 114.67 1rrz h MET 21 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1rrz h MET 21 Cb 0.86 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 1rrz h MET 21 CO 0.06 0.02 0.54 1.25 1.06 0.00 0.00 176.91 179.85 1rrz h HIS 22 N 0.00 1.11 0.00 -0.22 -0.00 -1.32 0.20 115.15 114.93 1rrz h HIS 22 Ca -0.00 0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 60.13 1rrz h HIS 22 Cb 0.28 -0.37 -0.04 0.00 -0.00 0.00 0.00 27.41 27.28 1rrz h HIS 22 CO 0.00 0.72 -1.35 0.00 -0.00 0.00 0.00 177.93 177.30 1rrz h ALA 23 N 1.30 0.55 0.00 5.26 0.00 -1.59 -3.32 119.26 121.46 1rrz h ALA 23 Ca 0.31 -1.18 -0.09 0.00 0.00 0.00 0.00 54.91 53.94 1rrz h ALA 23 Cb -0.09 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rrz h ALA 23 CO -0.06 1.41 -0.44 0.93 0.00 0.00 0.00 179.25 181.09 1rrz h GLU 24 N 0.00 0.00 -0.57 0.00 5.08 -1.23 -3.47 114.58 114.39 1rrz h GLU 24 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1rrz h GLU 24 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1rrz h GLU 24 CO 0.11 0.44 0.00 0.41 -1.00 0.00 0.00 179.01 178.97 1rrz n GLY 25 N 0.35 0.80 3.78 -3.84 0.00 0.04 -5.07 105.19 101.25 1rrz n GLY 25 Ca -0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.26 2.85 -0.04 1.61 0.52 -1.11 -4.89 118.95 113.62 1rrz s ARG 26 Ca 0.00 -0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 54.02 1rrz s ARG 26 Cb 0.00 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1rrz s ARG 26 CO 0.00 0.48 1.38 -1.25 0.02 0.00 0.00 175.30 175.94 1rrz s PRO 27 N -3.06 4.27 -0.11 3.54 0.04 -1.26 -4.79 135.00 133.63 1rrz s PRO 27 Ca 0.30 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.27 1rrz s PRO 27 Cb -0.10 -3.66 0.01 0.00 0.04 0.00 0.00 34.50 30.79 1rrz s PRO 27 CO 0.23 -0.62 -0.17 0.08 0.04 0.00 0.00 177.00 176.56 1rrz s VAL 28 N 2.79 1.61 -0.99 -0.36 1.01 -1.26 -5.06 120.40 118.14 1rrz s VAL 28 Ca 0.62 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 1rrz s VAL 28 Cb -0.29 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1rrz s VAL 28 CO 0.24 0.46 1.90 -0.62 0.00 0.00 0.00 175.10 177.08 1rrz s ASP 29 N 0.91 5.28 0.31 3.32 -1.08 -1.26 -4.75 116.67 119.39 1rrz s ASP 29 Ca -0.08 -1.04 0.01 0.00 -0.52 0.00 0.00 52.55 50.93 1rrz s ASP 29 Cb -0.15 -2.57 0.50 0.00 -1.46 0.00 0.00 42.92 39.24 1rrz s ASP 29 CO -0.01 -2.68 1.86 0.40 0.52 0.00 0.00 175.17 175.27 1rrz h ILE 30 N 6.90 1.21 -0.90 4.11 1.08 -1.97 -2.41 117.51 125.53 1rrz h ILE 30 Ca 0.15 -0.76 0.19 0.00 -0.39 0.00 0.00 64.86 64.05 1rrz h ILE 30 Cb 0.98 0.74 -0.11 0.00 -3.07 0.00 0.00 36.82 35.37 1rrz h ILE 30 CO 1.24 0.28 0.47 0.25 -0.69 0.00 0.00 178.15 179.69 1rrz h LEU 31 N 0.69 0.52 -1.12 1.44 7.12 -1.95 0.53 115.31 122.54 1rrz h LEU 31 Ca 0.15 0.12 0.20 0.00 0.13 0.00 0.00 57.88 58.48 1rrz h LEU 31 Cb 0.27 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 40.35 1rrz h LEU 31 CO -0.00 0.15 0.61 0.00 -0.13 0.00 0.00 178.44 179.07 1rrz h ALA 32 N 1.64 1.80 0.00 1.25 0.00 -1.83 0.32 119.26 122.44 1rrz h ALA 32 Ca 0.53 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 1rrz h ALA 32 Cb 0.88 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1rrz h ALA 32 CO -0.43 -0.16 -0.21 0.28 0.00 0.00 0.00 179.25 178.73 1rrz h VAL 33 N 0.69 0.13 -0.55 0.00 2.07 -0.10 -3.29 116.25 115.20 1rrz h VAL 33 Ca 0.56 -1.19 -0.23 0.00 0.82 0.00 0.00 66.70 66.66 1rrz h VAL 33 Cb 0.98 2.00 -0.14 0.00 -1.52 0.00 0.00 31.29 32.61 1rrz h VAL 33 CO -0.34 0.07 0.29 0.35 0.02 0.00 0.00 177.57 177.97 1rrz n THR 34 N -3.06 2.19 0.00 2.57 -2.24 0.11 -4.41 114.28 109.43 1rrz n THR 34 Ca 0.03 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1rrz n THR 34 Cb 0.57 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.27 0.74 1.91 3.38 0.00 -1.13 -4.82 105.19 105.00 1rrz n GLY 35 Ca 0.32 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 1rrz n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rrz n ASN 36 N 0.00 4.72 -2.76 1.61 3.02 -1.26 -4.79 115.26 115.79 1rrz n ASN 36 Ca 0.00 -3.76 -0.09 0.00 -0.03 0.00 0.00 54.58 50.70 1rrz n ASN 36 Cb 0.00 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 38.85 1rrz n ASN 36 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1rrz n MET 37 N -0.75 0.81 -3.12 3.52 0.00 -1.26 -5.02 117.12 111.30 1rrz n MET 37 Ca 0.42 -1.81 -0.20 0.00 0.00 0.00 0.00 57.70 56.11 1rrz n MET 37 Cb 0.94 -1.41 -0.05 0.00 0.00 0.00 0.00 33.22 32.70 1rrz n MET 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1rrz n ASP 38 N 1.48 -0.88 -0.06 3.17 5.68 -1.26 -4.86 116.55 119.82 1rrz n ASP 38 Ca 0.09 -2.75 -0.14 0.00 -0.50 0.00 0.00 54.79 51.49 1rrz n ASP 38 Cb 0.63 0.05 -0.13 0.00 -1.14 0.00 0.00 41.12 40.54 1rrz n ASP 38 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1rrz h GLU 39 N 4.48 0.01 -0.00 0.11 4.39 -1.97 -3.29 114.58 118.31 1rrz h GLU 39 Ca 0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1rrz h GLU 39 Cb 0.94 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1rrz h GLU 39 CO 0.37 0.96 -0.07 -1.91 -1.16 0.00 0.00 179.01 177.20 1rrz n GLU 40 N -4.62 0.05 0.30 2.33 0.00 -1.26 -3.75 120.64 113.68 1rrz n GLU 40 Ca -0.10 -0.01 0.19 0.00 0.00 0.00 0.00 57.16 57.24 1rrz n GLU 40 Cb 0.47 -1.50 0.99 0.00 0.00 0.00 0.00 31.44 31.40 1rrz n GLU 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1rrz h HIS 41 N 0.02 0.00 0.21 4.31 2.76 -1.93 -2.92 115.15 117.59 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 0.48 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 1rrz h HIS 41 CO 0.00 0.00 -0.29 0.00 -1.30 0.00 0.00 177.93 176.34 1rrz h ARG 42 N 0.00 -0.50 -0.04 5.26 -0.00 -1.77 0.46 114.38 117.78 1rrz h ARG 42 Ca 0.00 0.03 -0.15 0.00 -0.50 0.00 0.00 59.98 59.37 1rrz h ARG 42 Cb 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.22 1rrz h ARG 42 CO 0.00 -0.34 -0.65 0.00 0.00 0.00 0.00 179.97 178.99 1rrz h THR 43 N -0.52 1.42 0.08 2.04 1.03 -1.87 -2.97 112.91 112.12 1rrz h THR 43 Ca -0.02 -2.12 -0.00 0.00 -0.01 0.00 0.00 66.41 64.25 1rrz h THR 43 Cb 0.47 2.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.67 1rrz h THR 43 CO -0.08 0.62 -0.04 -0.25 -0.01 0.00 0.00 175.52 175.76 1rrz h TRP 44 N 0.12 -0.10 0.00 0.00 2.91 -1.32 -2.39 115.95 115.17 1rrz h TRP 44 Ca -0.01 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1rrz h TRP 44 Cb 1.16 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.84 1rrz h TRP 44 CO 0.02 -0.02 -0.10 0.35 -1.03 0.00 0.00 178.44 177.65 1rrz h PHE 45 N -0.15 0.00 0.30 2.65 3.04 -0.10 -1.22 116.94 121.46 1rrz h PHE 45 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1rrz h PHE 45 Cb 0.12 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 1rrz h PHE 45 CO -0.06 0.10 -0.37 0.00 -2.02 0.00 0.00 178.31 175.96 1rrz h ALA 47 N -0.25 0.90 -0.00 0.00 0.00 -1.55 -3.00 119.26 115.36 1rrz h ALA 47 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rrz h ALA 47 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rrz h ALA 47 CO -0.11 0.43 -0.39 0.54 0.00 0.00 0.00 179.25 179.72 1rrz n ARG 48 N -3.35 0.19 0.09 0.00 3.00 -0.47 -3.05 116.66 113.05 1rrz n ARG 48 Ca 0.01 -0.10 -0.08 0.00 -0.01 0.00 0.00 57.85 57.67 1rrz n ARG 48 Cb 0.55 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.46 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 0.24 -0.29 -0.72 -1.55 0.05 0.41 -0.40 116.97 114.72 1rrz h TYR 49 Ca 0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1rrz h TYR 49 Cb 0.49 0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 1rrz h TYR 49 CO 0.00 0.01 0.38 0.00 -1.05 0.00 0.00 178.16 177.49 1rrz h ALA 50 N -0.74 0.93 0.31 3.88 0.00 -1.71 0.11 119.26 122.04 1rrz h ALA 50 Ca -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1rrz h ALA 50 Cb 0.42 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1rrz h ALA 50 CO 0.05 0.46 -0.21 2.35 0.00 0.00 0.00 179.25 181.91 1rrz h TRP 51 N 1.00 -0.54 -0.68 0.00 7.01 -1.61 -0.77 115.95 120.36 1rrz h TRP 51 Ca 0.25 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.31 1rrz h TRP 51 Cb 0.07 0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 1rrz h TRP 51 CO 0.00 -0.32 0.45 -0.92 -2.79 0.00 0.00 178.44 174.86 1rrz h TYR 52 N -0.51 0.71 -0.33 2.65 3.20 -0.76 0.52 116.97 122.46 1rrz h TYR 52 Ca -0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1rrz h TYR 52 Cb 0.43 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1rrz h TYR 52 CO -0.10 0.38 0.20 0.00 -1.64 0.00 0.00 178.16 177.00 1rrz h GLN 54 N 0.42 0.04 0.00 0.00 -0.00 -0.51 -2.91 115.11 112.15 1rrz h GLN 54 Ca 0.12 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.65 58.55 1rrz h GLN 54 Cb 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 27.49 1rrz h GLN 54 CO -0.02 1.00 -0.73 -0.56 -0.00 0.00 0.00 178.83 178.52 1rrz h GLN 55 N 0.01 0.00 0.13 0.06 -0.00 -0.84 -3.12 115.11 111.35 1rrz h GLN 55 Ca -0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.28 1rrz h GLN 55 Cb 1.81 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.29 1rrz h GLN 55 CO 0.14 0.73 -1.66 1.98 -0.00 0.00 0.00 178.83 180.01 1rrz h MET 56 N 0.00 0.27 -0.08 0.06 4.05 -1.21 -2.91 114.93 115.11 1rrz h MET 56 Ca -0.01 -0.46 -0.05 0.00 -0.28 0.00 0.00 59.70 58.91 1rrz h MET 56 Cb 1.47 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 32.43 1rrz h MET 56 CO 0.10 1.13 -0.16 0.00 0.23 0.00 0.00 176.91 178.21 1rrz h MET 57 N 0.07 0.13 -0.01 0.39 -0.00 -1.61 0.36 114.93 114.27 1rrz h MET 57 Ca -0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 1rrz h MET 57 Cb 2.04 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 33.62 1rrz h MET 57 CO 0.15 0.29 -0.33 0.00 -0.00 0.00 0.00 176.91 177.02 1rrz n GLN 58 N -4.29 0.59 -0.08 -0.10 10.64 -1.18 -4.38 117.38 118.58 1rrz n GLN 58 Ca -0.01 -0.35 -0.10 0.00 -1.83 0.00 0.00 57.00 54.71 1rrz n GLN 58 Cb 0.26 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 28.12 1rrz n GLN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1rrz n ALA 59 N -0.90 1.19 -2.55 2.61 0.00 -0.54 -5.09 120.51 115.22 1rrz n ALA 59 Ca 0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 1rrz n ALA 59 Cb 0.34 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.84 1rrz n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rrz n ARG 60 N -4.30 -4.01 -4.43 0.00 0.63 0.12 -5.05 116.66 99.61 1rrz n ARG 60 Ca -0.17 3.01 -0.28 0.00 -0.92 0.00 0.00 57.85 59.48 1rrz n ARG 60 Cb 0.50 -4.06 -0.08 0.00 0.45 0.00 0.00 32.46 29.28 1rrz n ARG 60 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1rrz s GLU 61 N -0.51 2.15 -0.69 -0.14 8.01 -1.26 -5.07 118.70 121.19 1rrz s GLU 61 Ca -0.15 -2.11 -0.27 0.00 0.01 0.00 0.00 54.97 52.45 1rrz s GLU 61 Cb 0.01 -1.76 0.03 0.00 -4.31 0.00 0.00 34.13 28.10 1rrz s GLU 61 CO 0.40 -0.24 1.22 -1.17 0.01 0.00 0.00 175.26 175.48 1rrz s LEU 62 N -3.89 3.37 -1.11 1.80 0.20 -1.26 -4.17 118.68 113.62 1rrz s LEU 62 Ca 0.28 -0.39 -0.15 0.00 0.69 0.00 0.00 54.13 54.55 1rrz s LEU 62 Cb 0.04 -2.67 -0.03 0.00 -0.43 0.00 0.00 46.19 43.10 1rrz s LEU 62 CO 0.15 -1.71 0.84 -0.62 -0.29 0.00 0.00 176.35 174.72 1rrz n GLU 63 N 8.97 -1.70 0.06 1.98 4.71 -1.26 -4.95 120.64 128.44 1rrz n GLU 63 Ca 0.03 0.61 -0.04 0.00 -0.01 0.00 0.00 57.16 57.76 1rrz n GLU 63 Cb 0.49 -4.77 -0.02 0.00 -1.01 0.00 0.00 31.44 26.13 1rrz n GLU 63 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1rrz h LEU 64 N -1.61 -0.20 -2.94 -4.62 6.46 -2.00 -3.39 115.31 107.02 1rrz h LEU 64 Ca -0.64 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 1rrz h LEU 64 Cb 1.34 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.32 1rrz h LEU 64 CO 0.47 0.21 0.00 1.21 -0.62 0.00 0.00 178.44 179.70 1rrz n GLU 65 N -4.55 2.93 0.00 1.25 2.13 -1.26 -5.03 120.64 116.11 1rrz n GLU 65 Ca -0.03 -1.81 0.00 0.00 0.66 0.00 0.00 57.16 55.98 1rrz n GLU 65 Cb 0.09 -1.15 0.00 0.00 0.27 0.00 0.00 31.44 30.65 1rrz n GLU 65 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33