#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pmz s ASP 12 N 0.00 6.23 0.00 1.08 1.11 -1.26 -4.52 116.67 119.31 2pmz s ASP 12 Ca 0.00 -0.63 0.00 0.00 0.18 0.00 0.00 52.55 52.10 2pmz s ASP 12 Cb 0.00 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.53 2pmz s ASP 12 CO 0.00 -1.47 0.00 0.18 1.18 0.00 0.00 175.17 175.06 2pmz n LEU 13 N 8.05 -1.00 0.00 1.23 4.77 -1.26 -5.09 117.00 123.70 2pmz n LEU 13 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pmz n LEU 13 Cb 0.47 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2pmz n LEU 13 CO 0.66 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 178.13 2pmz n HIS 14 N -0.35 0.00 0.00 -1.77 8.25 -1.26 -4.19 115.22 115.89 2pmz n HIS 14 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2pmz n HIS 14 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 2pmz n HIS 14 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2pmz n PHE 15 N -0.55 0.00 0.00 4.41 1.16 -1.26 -1.32 117.46 119.90 2pmz n PHE 15 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2pmz n PHE 15 Cb 0.00 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 37.84 2pmz n PHE 15 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2pmz n ASN 16 N -1.82 0.00 -0.21 5.98 4.13 -1.26 0.18 115.26 122.26 2pmz n ASN 16 Ca 0.00 0.64 -0.05 0.00 1.68 0.00 0.00 54.58 56.85 2pmz n ASN 16 Cb 0.00 -0.14 0.01 0.00 -1.54 0.00 0.00 39.78 38.12 2pmz n ASN 16 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2pmz h GLU 17 N 0.00 -0.14 -0.56 3.52 5.08 -1.37 1.30 114.58 122.41 2pmz h GLU 17 Ca 0.00 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2pmz h GLU 17 Cb 0.00 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2pmz h GLU 17 CO 0.00 -0.09 0.38 0.28 -1.00 0.00 0.00 179.01 178.57 2pmz h VAL 18 N -0.14 0.93 0.00 3.13 2.07 -1.03 -1.92 116.25 119.29 2pmz h VAL 18 Ca 0.25 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2pmz h VAL 18 Cb 0.55 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2pmz h VAL 18 CO -0.70 0.08 0.00 0.33 0.02 0.00 0.00 177.57 177.30 2pmz n PHE 19 N -4.47 0.00 -0.15 1.57 7.35 0.48 -1.21 117.46 121.03 2pmz n PHE 19 Ca 0.09 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.74 2pmz n PHE 19 Cb 0.32 -0.23 -0.04 0.00 0.35 0.00 0.00 39.48 39.88 2pmz n PHE 19 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 2pmz n ILE 20 N -1.19 -0.25 -0.12 -2.13 5.41 0.32 0.79 119.36 122.19 2pmz n ILE 20 Ca 0.00 1.28 -0.04 0.00 1.00 0.00 0.00 62.75 64.98 2pmz n ILE 20 Cb 0.00 -1.62 0.03 0.00 -0.71 0.00 0.00 39.64 37.34 2pmz n ILE 20 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2pmz h SER 21 N 0.00 -0.13 0.00 4.38 4.64 -1.50 0.20 113.55 121.14 2pmz h SER 21 Ca 0.06 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2pmz h SER 21 Cb 0.15 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2pmz h SER 21 CO -0.34 -0.03 0.00 0.18 -0.87 0.00 0.00 176.83 175.77 2pmz n LEU 22 N -5.18 0.00 -1.24 5.97 4.77 0.24 -2.15 117.00 119.41 2pmz n LEU 22 Ca 0.03 0.09 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 2pmz n LEU 22 Cb 0.21 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 2pmz n LEU 22 CO 0.20 -0.09 0.38 0.79 -1.33 0.00 0.00 177.39 177.35 2pmz n TRP 23 N -1.07 1.22 0.81 -1.77 5.03 0.70 -4.51 117.44 117.85 2pmz n TRP 23 Ca 0.00 -1.82 0.13 0.00 3.03 0.00 0.00 57.50 58.84 2pmz n TRP 23 Cb 0.00 -0.36 0.33 0.00 -1.03 0.00 0.00 31.31 30.25 2pmz n TRP 23 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 2pmz n GLN 24 N -0.97 0.13 -1.57 -0.99 6.02 -0.92 -4.24 117.38 114.84 2pmz n GLN 24 Ca 0.31 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.94 2pmz n GLN 24 Cb 0.84 -1.60 -0.01 0.00 1.02 0.00 0.00 30.24 30.48 2pmz n GLN 24 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2pmz n ASN 25 N -1.80 3.74 0.00 1.08 3.02 -1.26 -4.91 115.26 115.13 2pmz n ASN 25 Ca 0.05 -2.79 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 2pmz n ASN 25 Cb 0.38 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 2pmz n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2pmz n ARG 26 N 6.20 0.00 -1.42 3.52 1.74 -1.26 -4.91 116.66 120.53 2pmz n ARG 26 Ca 0.52 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2pmz n ARG 26 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 2pmz n ARG 26 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pmz n LEU 27 N 0.00 -1.48 -4.34 0.55 4.32 -1.26 -5.05 117.00 109.73 2pmz n LEU 27 Ca 0.00 1.60 -0.29 0.00 -0.02 0.00 0.00 56.01 57.31 2pmz n LEU 27 Cb 0.00 -2.31 -0.14 0.00 -1.62 0.00 0.00 43.42 39.35 2pmz n LEU 27 CO 0.00 0.09 -0.56 0.42 -1.22 0.00 0.00 177.39 176.12 2pmz s THR 28 N -2.81 2.09 0.07 -5.08 -4.23 -1.26 -4.91 115.64 99.50 2pmz s THR 28 Ca 0.00 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2pmz s THR 28 Cb 0.00 -1.81 0.08 0.00 1.34 0.00 0.00 72.50 72.11 2pmz s THR 28 CO 0.00 0.23 0.32 0.54 -0.54 0.00 0.00 174.62 175.17 2pmz n ARG 29 N 1.47 -0.02 -0.03 3.99 1.74 -1.26 0.20 116.66 122.76 2pmz n ARG 29 Ca -0.17 0.30 -0.16 0.00 -0.77 0.00 0.00 57.85 57.05 2pmz n ARG 29 Cb 0.53 -0.49 -0.08 0.00 -1.02 0.00 0.00 32.46 31.39 2pmz n ARG 29 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2pmz h TYR 30 N 0.00 0.80 -0.59 -1.55 -1.99 -1.97 0.16 116.97 111.82 2pmz h TYR 30 Ca 0.13 -0.35 -0.05 0.00 2.00 0.00 0.00 58.73 60.46 2pmz h TYR 30 Cb 0.29 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 2pmz h TYR 30 CO -0.09 1.14 0.18 0.93 -0.00 0.00 0.00 178.16 180.32 2pmz h GLU 31 N 0.23 0.92 -0.23 4.88 5.08 0.19 0.47 114.58 126.13 2pmz h GLU 31 Ca -0.04 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2pmz h GLU 31 Cb 1.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2pmz h GLU 31 CO 0.12 0.83 0.10 0.82 -1.00 0.00 0.00 179.01 179.88 2pmz h ILE 32 N 0.84 1.15 0.00 3.13 2.04 -1.07 -2.83 117.51 120.77 2pmz h ILE 32 Ca 0.19 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2pmz h ILE 32 Cb 0.30 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2pmz h ILE 32 CO -0.00 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2pmz n ALA 33 N -2.23 -0.26 -0.27 1.87 0.00 0.55 -2.48 120.51 117.69 2pmz n ALA 33 Ca -0.03 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.65 2pmz n ALA 33 Cb 0.11 0.22 0.43 0.00 0.00 0.00 0.00 19.45 20.20 2pmz n ALA 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2pmz n ARG 34 N -2.36 -0.03 -0.03 0.00 3.00 0.16 -0.91 116.66 116.48 2pmz n ARG 34 Ca 0.00 0.89 -0.13 0.00 -0.00 0.00 0.00 57.85 58.61 2pmz n ARG 34 Cb 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 32.46 30.68 2pmz n ARG 34 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2pmz h VAL 35 N 0.00 1.51 -0.01 5.15 -1.51 -1.24 -1.68 116.25 118.48 2pmz h VAL 35 Ca 0.59 -1.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 2pmz h VAL 35 Cb 1.73 2.62 -0.00 0.00 -2.13 0.00 0.00 31.29 33.51 2pmz h VAL 35 CO -0.41 0.42 0.01 0.40 -1.23 0.00 0.00 177.57 176.76 2pmz h ILE 36 N -0.75 0.28 -0.07 7.19 2.04 -0.89 1.07 117.51 126.38 2pmz h ILE 36 Ca -0.00 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 2pmz h ILE 36 Cb 0.71 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2pmz h ILE 36 CO 0.00 0.00 -0.46 0.28 0.00 0.00 0.00 178.15 177.98 2pmz h SER 37 N 0.00 0.17 0.00 1.72 0.02 -0.69 -0.56 113.55 114.21 2pmz h SER 37 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2pmz h SER 37 Cb 0.02 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2pmz h SER 37 CO -0.00 0.60 -0.08 0.00 -1.14 0.00 0.00 176.83 176.21 2pmz h ALA 38 N 1.40 0.00 -1.10 3.77 0.00 0.20 -3.35 119.26 120.17 2pmz h ALA 38 Ca 0.01 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.04 2pmz h ALA 38 Cb 0.86 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2pmz h ALA 38 CO 0.07 0.08 1.00 -0.09 0.00 0.00 0.00 179.25 180.30 2pmz h ARG 39 N -0.26 0.00 0.52 0.00 9.65 -0.73 0.61 114.38 124.16 2pmz h ARG 39 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2pmz h ARG 39 Cb 0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2pmz h ARG 39 CO 0.00 0.00 -0.25 0.00 2.80 0.00 0.00 179.97 182.52 2pmz h ALA 40 N 1.05 -0.70 0.39 2.80 0.00 -1.25 -1.96 119.26 119.58 2pmz h ALA 40 Ca 0.52 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2pmz h ALA 40 Cb 2.51 0.28 0.00 0.00 0.00 0.00 0.00 17.79 20.58 2pmz h ALA 40 CO -0.01 -0.90 -0.19 1.25 0.00 0.00 0.00 179.25 179.41 2pmz h LEU 41 N -0.70 -0.44 -0.85 0.00 5.85 0.01 -2.90 115.31 116.27 2pmz h LEU 41 Ca -0.07 -0.13 0.24 0.00 0.84 0.00 0.00 57.88 58.76 2pmz h LEU 41 Cb 0.54 0.11 -0.16 0.00 0.37 0.00 0.00 40.66 41.53 2pmz h LEU 41 CO 0.11 -0.04 0.03 0.00 -0.34 0.00 0.00 178.44 178.20 2pmz n GLN 42 N -5.17 -0.07 -0.01 1.25 3.00 -0.34 0.27 117.38 116.31 2pmz n GLN 42 Ca -0.09 1.28 -0.13 0.00 -0.01 0.00 0.00 57.00 58.04 2pmz n GLN 42 Cb 0.28 -2.04 -0.10 0.00 0.00 0.00 0.00 30.24 28.39 2pmz n GLN 42 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2pmz h LEU 43 N 0.00 0.01 0.00 1.08 3.38 -1.35 -2.29 115.31 116.14 2pmz h LEU 43 Ca 0.52 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pmz h LEU 43 Cb 1.10 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2pmz h LEU 43 CO -0.80 0.49 0.00 0.00 0.09 0.00 0.00 178.44 178.22 2pmz n ALA 44 N -2.34 2.03 -0.18 1.53 0.00 0.65 -1.29 120.51 120.91 2pmz n ALA 44 Ca -0.08 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2pmz n ALA 44 Cb 0.25 -1.16 0.15 0.00 0.00 0.00 0.00 19.45 18.69 2pmz n ALA 44 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2pmz n MET 45 N -0.82 2.88 0.00 0.00 2.81 0.14 -5.05 117.12 117.07 2pmz n MET 45 Ca 0.07 -2.04 0.00 0.00 -1.81 0.00 0.00 57.70 53.92 2pmz n MET 45 Cb 0.03 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2pmz n MET 45 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pmz n GLY 46 N 0.47 1.03 1.05 3.03 0.00 -0.41 -4.98 105.19 105.39 2pmz n GLY 46 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2pmz n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pmz n ALA 47 N 1.15 -1.00 -1.75 4.61 0.00 -1.25 -4.49 120.51 117.79 2pmz n ALA 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2pmz n ALA 47 Cb 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 19.45 19.14 2pmz n ALA 47 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pmz s PRO 48 N -0.01 3.05 -1.21 0.00 0.04 -1.26 -4.71 135.00 130.89 2pmz s PRO 48 Ca 0.00 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.93 2pmz s PRO 48 Cb 0.00 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2pmz s PRO 48 CO 0.00 -1.21 2.13 0.00 0.04 0.00 0.00 177.00 177.96 2pmz n ALA 49 N -1.27 4.78 0.00 8.56 0.00 -1.26 -4.96 120.51 126.36 2pmz n ALA 49 Ca 0.12 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.89 2pmz n ALA 49 Cb 0.47 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.35 2pmz n ALA 49 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pmz n LEU 50 N 6.55 0.00 -0.08 0.00 4.32 -1.26 -2.50 117.00 124.03 2pmz n LEU 50 Ca 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.50 2pmz n LEU 50 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2pmz n LEU 50 CO 0.95 0.00 0.00 -0.38 -1.22 0.00 0.00 177.39 176.74 2pmz n ILE 51 N 0.00 0.00 -2.99 -0.08 5.41 -1.26 -4.75 119.36 115.69 2pmz n ILE 51 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 2pmz n ILE 51 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 2pmz n ILE 51 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2pmz n ASP 52 N 0.02 -2.24 -4.57 4.38 2.03 -1.04 -4.94 116.55 110.19 2pmz n ASP 52 Ca 0.00 -2.77 -0.31 0.00 0.52 0.00 0.00 54.79 52.23 2pmz n ASP 52 Cb 0.00 0.88 0.17 0.00 -0.72 0.00 0.00 41.12 41.45 2pmz n ASP 52 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2pmz n ILE 53 N 2.69 0.00 -3.15 5.18 -0.00 -1.26 -4.96 119.36 117.85 2pmz n ILE 53 Ca 0.21 -0.12 0.06 0.00 -0.00 0.00 0.00 62.75 62.90 2pmz n ILE 53 Cb 0.54 -0.91 -0.00 0.00 -0.00 0.00 0.00 39.64 39.27 2pmz n ILE 53 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 2pmz s ASN 54 N -2.45 -0.22 -0.41 4.38 3.84 -1.26 -4.77 114.94 114.05 2pmz s ASN 54 Ca 0.65 0.05 0.05 0.00 0.21 0.00 0.00 52.86 53.81 2pmz s ASN 54 Cb -0.23 1.15 0.18 0.00 -0.55 0.00 0.00 41.25 41.81 2pmz s ASN 54 CO 0.61 -0.04 0.39 0.59 -2.79 0.00 0.00 177.10 175.87 2pmz n ASN 55 N 5.15 -0.62 0.00 -4.21 3.02 -1.26 -4.75 115.26 112.60 2pmz n ASN 55 Ca 0.06 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 2pmz n ASN 55 Cb 0.57 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2pmz n ASN 55 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2pmz n LEU 56 N 2.64 -0.75 0.00 3.41 7.94 -1.26 -5.02 117.00 123.95 2pmz n LEU 56 Ca 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2pmz n LEU 56 Cb 0.49 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2pmz n LEU 56 CO 0.09 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.13 2pmz n SER 57 N 1.54 0.00 0.00 1.96 2.88 -1.26 -5.07 113.62 113.67 2pmz n SER 57 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2pmz n SER 57 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2pmz n SER 57 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2pmz n SER 58 N 0.00 0.00 -3.15 -3.46 7.64 -1.26 -5.05 113.62 108.34 2pmz n SER 58 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 2pmz n SER 58 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2pmz n SER 58 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2pmz s THR 59 N 0.00 -0.62 0.00 0.44 2.01 -1.26 -5.10 115.64 111.11 2pmz s THR 59 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2pmz s THR 59 Cb 0.00 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.84 2pmz s THR 59 CO 0.00 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.40 2pmz n ASP 60 N 5.29 0.00 0.00 3.53 10.43 -1.26 -4.28 116.55 130.26 2pmz n ASP 60 Ca 0.06 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.42 2pmz n ASP 60 Cb 0.55 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.51 2pmz n ASP 60 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 2pmz n VAL 61 N 0.00 0.00 0.00 2.53 0.31 -1.26 -4.40 118.33 115.51 2pmz n VAL 61 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2pmz n VAL 61 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2pmz n VAL 61 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2pmz n ILE 62 N 0.00 0.00 0.11 2.52 5.41 -1.26 -4.19 119.36 121.95 2pmz n ILE 62 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 2pmz n ILE 62 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 2pmz n ILE 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2pmz n SER 63 N 1.07 2.26 -0.53 4.38 3.41 -1.26 -4.30 113.62 118.65 2pmz n SER 63 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 2pmz n SER 63 Cb 0.00 1.19 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 2pmz n SER 63 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2pmz n ILE 64 N -1.51 0.05 -0.02 -1.33 -5.35 -1.26 0.14 119.36 110.08 2pmz n ILE 64 Ca -0.00 0.00 0.05 0.00 -0.27 0.00 0.00 62.75 62.53 2pmz n ILE 64 Cb 0.14 -0.48 -0.13 0.00 -1.74 0.00 0.00 39.64 37.44 2pmz n ILE 64 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2pmz n ALA 65 N 0.08 2.43 -0.02 -1.28 0.00 -1.26 -3.97 120.51 116.48 2pmz n ALA 65 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 2pmz n ALA 65 Cb 0.24 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 2pmz n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pmz n GLU 66 N -2.17 0.71 -0.02 0.00 1.02 0.38 -2.01 120.64 118.54 2pmz n GLU 66 Ca -0.07 0.25 -0.05 0.00 -0.02 0.00 0.00 57.16 57.27 2pmz n GLU 66 Cb 0.54 -1.71 0.17 0.00 -0.02 0.00 0.00 31.44 30.43 2pmz n GLU 66 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2pmz h GLU 67 N 0.04 0.59 -0.00 3.49 4.22 -1.56 -1.54 114.58 119.82 2pmz h GLU 67 Ca -0.40 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 58.82 2pmz h GLU 67 Cb 2.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2pmz h GLU 67 CO 0.07 0.77 -0.23 -0.85 -2.18 0.00 0.00 179.01 176.58 2pmz n GLU 68 N -4.13 0.23 0.07 1.92 0.28 -1.25 -3.12 120.64 114.63 2pmz n GLU 68 Ca 0.00 -0.09 -0.21 0.00 -0.16 0.00 0.00 57.16 56.70 2pmz n GLU 68 Cb 0.40 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.65 2pmz n GLU 68 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2pmz h PHE 69 N 0.22 0.96 0.38 -1.84 3.57 -0.73 -2.98 116.94 116.52 2pmz h PHE 69 Ca 0.00 -0.58 -0.02 0.00 3.53 0.00 0.00 57.97 60.90 2pmz h PHE 69 Cb 0.46 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2pmz h PHE 69 CO 0.00 1.42 -0.26 0.00 -2.23 0.00 0.00 178.31 177.25 2pmz h ARG 70 N 0.23 -0.58 0.00 1.11 3.08 -1.25 -1.21 114.38 115.76 2pmz h ARG 70 Ca -0.16 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2pmz h ARG 70 Cb 1.79 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.97 2pmz h ARG 70 CO 0.21 -0.39 0.00 -2.13 -1.07 0.00 0.00 179.97 176.60 2pmz n ARG 71 N -3.91 0.00 -4.02 0.04 3.00 -1.19 -4.74 116.66 105.85 2pmz n ARG 71 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.48 2pmz n ARG 71 Cb 0.26 -1.14 -0.06 0.00 0.00 0.00 0.00 32.46 31.52 2pmz n ARG 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pmz n GLY 72 N -0.58 -0.25 0.12 5.14 0.00 -0.46 -4.83 105.19 104.32 2pmz n GLY 72 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 2pmz n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pmz n VAL 73 N -4.09 1.54 -1.91 1.61 0.24 -1.13 -4.92 118.33 109.67 2pmz n VAL 73 Ca -0.23 -0.67 -0.42 0.00 -2.04 0.00 0.00 64.34 60.99 2pmz n VAL 73 Cb 0.55 -1.25 -0.03 0.00 -1.47 0.00 0.00 33.84 31.64 2pmz n VAL 73 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2pmz s LEU 74 N -6.37 4.37 0.00 1.34 0.05 -1.25 -4.88 118.68 111.93 2pmz s LEU 74 Ca -0.24 2.68 0.00 0.00 0.05 0.00 0.00 54.13 56.61 2pmz s LEU 74 Cb 0.08 -3.60 0.00 0.00 -2.05 0.00 0.00 46.19 40.62 2pmz s LEU 74 CO 0.70 -0.84 0.46 -2.65 -0.55 0.00 0.00 176.35 173.48 2pmz n PRO 75 N 3.65 0.92 -1.78 1.48 -0.02 -1.26 -4.85 135.00 133.14 2pmz n PRO 75 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 2pmz n PRO 75 Cb 0.38 -1.45 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 2pmz n PRO 75 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pmz s ILE 76 N -0.99 3.21 -0.12 4.25 1.01 -1.26 -4.96 121.20 122.34 2pmz s ILE 76 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 2pmz s ILE 76 Cb 0.00 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 2pmz s ILE 76 CO 0.00 -0.04 -0.03 -0.89 0.00 0.00 0.00 174.94 173.97 2pmz s THR 77 N 4.99 3.99 -0.08 2.92 2.01 -1.23 -4.34 115.64 123.89 2pmz s THR 77 Ca 0.85 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 2pmz s THR 77 Cb -0.37 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 2pmz s THR 77 CO 0.37 0.54 0.29 -0.63 -0.69 0.00 0.00 174.62 174.50 2pmz s ILE 78 N -0.22 5.26 -0.22 1.82 1.09 -0.74 -4.96 121.20 123.23 2pmz s ILE 78 Ca 0.04 0.55 -0.01 0.00 -1.10 0.00 0.00 60.65 60.14 2pmz s ILE 78 Cb -0.13 -3.59 0.02 0.00 -1.06 0.00 0.00 42.46 37.71 2pmz s ILE 78 CO 0.02 0.54 -0.10 -0.13 -0.10 0.00 0.00 174.94 175.17 2pmz s ARG 79 N -0.63 2.92 -0.72 2.79 0.52 -1.26 -1.54 118.95 121.02 2pmz s ARG 79 Ca 0.19 -0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 54.43 2pmz s ARG 79 Cb -0.14 -2.86 0.19 0.00 0.52 0.00 0.00 34.95 32.65 2pmz s ARG 79 CO 0.08 -0.33 0.58 1.03 0.02 0.00 0.00 175.30 176.68 2pmz s ARG 80 N 1.32 2.96 -0.60 3.54 0.52 0.86 -4.92 118.95 122.64 2pmz s ARG 80 Ca 0.02 -2.60 -0.27 0.00 -0.52 0.00 0.00 55.73 52.36 2pmz s ARG 80 Cb -0.15 -3.97 0.03 0.00 0.52 0.00 0.00 34.95 31.38 2pmz s ARG 80 CO -0.07 -1.22 1.15 -0.98 0.02 0.00 0.00 175.30 174.20 2pmz s ARG 81 N -0.15 3.41 0.81 3.54 1.70 -1.26 -1.95 118.95 125.06 2pmz s ARG 81 Ca 0.18 0.03 -0.07 0.00 -0.47 0.00 0.00 55.73 55.41 2pmz s ARG 81 Cb -0.16 -4.05 0.15 0.00 -0.57 0.00 0.00 34.95 30.32 2pmz s ARG 81 CO -0.06 -1.72 1.12 -0.48 -1.08 0.00 0.00 175.30 173.08 2pmz s LEU 82 N 4.84 2.87 0.41 -1.89 2.34 -1.09 -4.95 118.68 121.21 2pmz s LEU 82 Ca 0.38 -0.10 0.29 0.00 0.06 0.00 0.00 54.13 54.77 2pmz s LEU 82 Cb -0.09 -2.14 1.23 0.00 -0.56 0.00 0.00 46.19 44.63 2pmz s LEU 82 CO 0.22 -2.18 1.86 1.55 -1.06 0.00 0.00 176.35 176.74 2pmz h PRO 83 N -0.95 0.00 -0.08 1.48 0.13 -1.94 -2.66 132.00 127.97 2pmz h PRO 83 Ca -0.40 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.76 2pmz h PRO 83 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2pmz h PRO 83 CO 0.40 0.00 0.11 -0.91 -0.23 0.00 0.00 178.00 177.38 2pmz h ASN 84 N 0.00 0.00 0.00 1.44 2.35 -1.99 -3.45 115.58 113.94 2pmz h ASN 84 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pmz h ASN 84 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2pmz h ASN 84 CO 0.00 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.39 2pmz n GLY 85 N -1.31 3.41 3.72 2.83 0.00 -1.00 -5.04 105.19 107.79 2pmz n GLY 85 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2pmz n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pmz s LYS 86 N -0.84 4.47 -0.93 1.61 3.01 -1.26 -4.87 119.74 120.92 2pmz s LYS 86 Ca 0.00 1.71 -0.11 0.00 -1.01 0.00 0.00 55.97 56.56 2pmz s LYS 86 Cb 0.00 -3.36 0.24 0.00 -1.01 0.00 0.00 37.83 33.70 2pmz s LYS 86 CO 0.00 -0.19 0.88 0.42 0.51 0.00 0.00 175.35 176.96 2pmz s ILE 87 N 0.92 5.59 0.04 2.17 1.09 -1.26 -2.65 121.20 127.09 2pmz s ILE 87 Ca 0.57 -2.93 -0.31 0.00 -1.10 0.00 0.00 60.65 56.89 2pmz s ILE 87 Cb -0.28 -4.42 -0.07 0.00 -1.06 0.00 0.00 42.46 36.63 2pmz s ILE 87 CO 0.30 -1.08 1.45 -0.63 -0.10 0.00 0.00 174.94 174.88 2pmz s ILE 88 N -0.46 3.46 -0.12 2.92 -1.09 -0.82 -4.68 121.20 120.40 2pmz s ILE 88 Ca 0.23 0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 59.56 2pmz s ILE 88 Cb -0.10 -3.59 0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2pmz s ILE 88 CO -0.08 0.02 -0.03 -1.48 -1.23 0.00 0.00 174.94 172.14 2pmz s LEU 89 N 2.11 1.09 -0.05 2.97 2.34 -1.25 0.30 118.68 126.18 2pmz s LEU 89 Ca 0.66 -0.40 -0.12 0.00 0.06 0.00 0.00 54.13 54.33 2pmz s LEU 89 Cb -0.35 -0.68 -0.05 0.00 -0.56 0.00 0.00 46.19 44.55 2pmz s LEU 89 CO 0.29 -0.19 0.32 -1.48 -1.06 0.00 0.00 176.35 174.22 2pmz s LEU 90 N 1.80 4.44 -0.01 1.48 2.34 -0.59 -4.93 118.68 123.21 2pmz s LEU 90 Ca 0.03 0.78 -0.05 0.00 0.06 0.00 0.00 54.13 54.95 2pmz s LEU 90 Cb -0.14 -2.41 -0.03 0.00 -0.56 0.00 0.00 46.19 43.05 2pmz s LEU 90 CO -0.07 0.34 0.53 0.77 -1.06 0.00 0.00 176.35 176.86 2pmz h SER 91 N 4.90 -0.16 0.00 1.48 4.64 -1.87 -1.97 113.55 120.56 2pmz h SER 91 Ca -0.52 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2pmz h SER 91 Cb 1.22 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2pmz h SER 91 CO 0.61 -0.03 0.00 -0.11 -0.87 0.00 0.00 176.83 176.43