#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nrg s ALA 2 N 0.00 2.76 0.42 -5.12 0.00 0.43 -4.95 121.76 115.31 2nrg s ALA 2 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.11 2nrg s ALA 2 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 2nrg s ALA 2 CO 0.00 0.10 0.44 -0.51 0.00 0.00 0.00 175.76 175.79 2nrg s ASP 3 N 0.59 5.20 1.08 0.00 1.01 -1.26 -3.51 116.67 119.77 2nrg s ASP 3 Ca -0.06 -0.67 -0.17 0.00 0.71 0.00 0.00 52.55 52.36 2nrg s ASP 3 Cb -0.15 -0.55 0.14 0.00 1.01 0.00 0.00 42.92 43.37 2nrg s ASP 3 CO 0.03 -0.71 0.15 1.17 0.21 0.00 0.00 175.17 176.02 2nrg n LYS 4 N -1.65 -2.08 0.00 8.23 3.00 -1.26 -0.10 118.16 124.30 2nrg n LYS 4 Ca 0.05 -0.61 0.00 0.00 -0.00 0.00 0.00 58.31 57.75 2nrg n LYS 4 Cb 0.61 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 34.08 2nrg n LYS 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2nrg n THR 5 N -4.46 0.00 1.47 3.15 -1.04 -1.26 -3.51 114.28 108.63 2nrg n THR 5 Ca 0.04 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.18 2nrg n THR 5 Cb 0.48 0.00 0.51 0.00 -1.82 0.00 0.00 70.33 69.51 2nrg n THR 5 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2nrg n ILE 6 N 0.00 0.03 0.27 12.58 -5.35 -1.21 -4.02 119.36 121.66 2nrg n ILE 6 Ca 0.00 -0.26 0.16 0.00 -0.27 0.00 0.00 62.75 62.38 2nrg n ILE 6 Cb 0.00 0.48 0.81 0.00 -1.74 0.00 0.00 39.64 39.19 2nrg n ILE 6 CO 0.00 0.00 0.00 2.19 -1.76 0.00 0.00 176.55 176.98 2nrg h PHE 7 N 2.32 0.00 -0.73 4.28 -0.00 -0.55 -2.81 116.94 119.45 2nrg h PHE 7 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.97 58.18 2nrg h PHE 7 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 36.42 2nrg h PHE 7 CO 0.01 0.00 0.73 -2.95 -0.00 0.00 0.00 178.31 176.10 2nrg h ASN 8 N 0.00 0.00 -1.95 -0.68 -1.07 -1.85 -3.43 115.58 106.60 2nrg h ASN 8 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 55.73 2nrg h ASN 8 Cb 0.11 0.00 0.10 0.00 -2.07 0.00 0.00 38.32 36.46 2nrg h ASN 8 CO 0.00 0.00 0.05 0.47 0.07 0.00 0.00 177.43 178.02 2nrg n ASP 9 N -3.68 0.79 -0.17 6.14 9.92 -1.06 -4.81 116.55 123.68 2nrg n ASP 9 Ca 0.15 1.16 0.24 0.00 -0.53 0.00 0.00 54.79 55.81 2nrg n ASP 9 Cb 0.98 -1.19 0.65 0.00 -0.64 0.00 0.00 41.12 40.93 2nrg n ASP 9 CO 0.00 0.00 0.00 1.12 0.13 0.00 0.00 177.20 178.45 2nrg h HIS 10 N 2.32 0.18 -2.69 1.24 2.07 -1.94 -3.40 115.15 112.93 2nrg h HIS 10 Ca -0.39 0.01 -0.53 0.00 -2.85 0.00 0.00 60.37 56.60 2nrg h HIS 10 Cb 1.36 -0.05 0.02 0.00 2.57 0.00 0.00 27.41 31.31 2nrg h HIS 10 CO 0.49 0.05 0.99 -0.48 -3.07 0.00 0.00 177.93 175.91 2nrg s LEU 11 N -8.86 4.37 0.00 6.12 0.05 -1.26 -4.98 118.68 114.12 2nrg s LEU 11 Ca -0.06 2.51 0.00 0.00 0.05 0.00 0.00 54.13 56.62 2nrg s LEU 11 Cb 0.22 -3.57 0.00 0.00 -2.05 0.00 0.00 46.19 40.79 2nrg s LEU 11 CO 0.77 -0.89 0.00 -3.20 -0.55 0.00 0.00 176.35 172.48 2nrg n ASN 12 N 5.49 0.00 -3.87 1.48 5.15 -1.26 -4.77 115.26 117.47 2nrg n ASN 12 Ca 0.16 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.87 2nrg n ASN 12 Cb 0.40 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.63 2nrg n ASN 12 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2nrg n THR 13 N 0.00 -1.26 0.12 -0.44 5.66 -1.26 -4.68 114.28 112.42 2nrg n THR 13 Ca 0.00 -0.37 0.06 0.00 -3.05 0.00 0.00 64.05 60.68 2nrg n THR 13 Cb 0.00 -1.12 0.02 0.00 -1.55 0.00 0.00 70.33 67.68 2nrg n THR 13 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 2nrg h ASN 14 N -0.86 0.00 -0.04 1.09 -1.24 -1.86 0.13 115.58 112.79 2nrg h ASN 14 Ca -0.47 0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.55 2nrg h ASN 14 Cb 0.96 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.00 2nrg h ASN 14 CO 0.41 0.31 0.59 -0.65 -1.29 0.00 0.00 177.43 176.80 2nrg h PRO 15 N 0.00 0.00 -1.01 6.67 0.11 -1.88 -1.68 132.00 134.20 2nrg h PRO 15 Ca -0.05 0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.30 2nrg h PRO 15 Cb 1.28 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 2nrg h PRO 15 CO 0.03 0.00 0.64 -0.22 -0.21 0.00 0.00 178.00 178.24 2nrg h LYS 16 N 0.00 0.49 0.00 1.05 3.11 -1.70 0.16 116.57 119.68 2nrg h LYS 16 Ca 0.02 -0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.68 2nrg h LYS 16 Cb 1.19 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 32.29 2nrg h LYS 16 CO -0.00 0.32 -1.14 2.41 -2.81 0.00 0.00 179.45 178.23 2nrg n THR 17 N -4.70 1.49 -0.10 1.00 -1.04 -0.63 -3.28 114.28 107.02 2nrg n THR 17 Ca 0.25 0.03 -0.06 0.00 -2.04 0.00 0.00 64.05 62.23 2nrg n THR 17 Cb 0.78 -2.19 0.01 0.00 -1.82 0.00 0.00 70.33 67.10 2nrg n THR 17 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2nrg h ASN 18 N -1.00 -0.22 -0.01 8.00 2.35 -1.60 0.94 115.58 124.04 2nrg h ASN 18 Ca -0.22 0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.48 2nrg h ASN 18 Cb 1.01 0.17 0.01 0.00 0.05 0.00 0.00 38.32 39.57 2nrg h ASN 18 CO -0.14 -0.07 -0.53 0.25 -1.65 0.00 0.00 177.43 175.29 2nrg h LEU 19 N 0.05 0.49 -1.43 1.61 5.85 -0.92 -2.45 115.31 118.51 2nrg h LEU 19 Ca 0.17 -0.75 0.09 0.00 0.84 0.00 0.00 57.88 58.23 2nrg h LEU 19 Cb 0.24 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2nrg h LEU 19 CO -0.31 1.17 0.48 -0.09 -0.34 0.00 0.00 178.44 179.35 2nrg h ARG 20 N -0.15 0.63 0.13 1.25 9.65 -1.45 0.60 114.38 125.04 2nrg h ARG 20 Ca -0.06 -0.04 -0.29 0.00 -1.10 0.00 0.00 59.98 58.49 2nrg h ARG 20 Cb 1.25 -0.14 0.02 0.00 -1.39 0.00 0.00 29.97 29.70 2nrg h ARG 20 CO 0.11 0.41 -1.24 1.37 2.80 0.00 0.00 179.97 183.42 2nrg h LEU 21 N 0.64 0.66 -0.63 3.80 8.10 -0.86 -1.34 115.31 125.69 2nrg h LEU 21 Ca 0.33 -0.64 -0.04 0.00 0.11 0.00 0.00 57.88 57.64 2nrg h LEU 21 Cb 0.44 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.42 2nrg h LEU 21 CO -0.12 1.48 0.24 -0.25 -4.11 0.00 0.00 178.44 175.68 2nrg h TRP 22 N 0.17 0.97 0.00 0.17 7.01 -0.76 0.59 115.95 124.10 2nrg h TRP 22 Ca -0.16 -0.08 -0.04 0.00 2.11 0.00 0.00 58.89 60.71 2nrg h TRP 22 Cb 1.93 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 28.69 2nrg h TRP 22 CO 0.09 0.77 -0.20 0.28 -2.79 0.00 0.00 178.44 176.59 2nrg h VAL 23 N 0.89 1.03 0.02 2.65 2.07 0.16 -1.98 116.25 121.09 2nrg h VAL 23 Ca 0.21 -0.73 -0.21 0.00 0.82 0.00 0.00 66.70 66.79 2nrg h VAL 23 Cb 0.22 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2nrg h VAL 23 CO -0.01 0.20 -0.98 0.00 0.02 0.00 0.00 177.57 176.79 2nrg h ALA 24 N 1.80 0.39 0.00 1.67 0.00 0.16 -2.79 119.26 120.49 2nrg h ALA 24 Ca -0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 54.91 53.99 2nrg h ALA 24 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2nrg h ALA 24 CO 0.03 1.11 -0.36 0.35 0.00 0.00 0.00 179.25 180.38 2nrg h PHE 25 N 0.03 0.00 0.04 0.00 3.04 0.85 0.51 116.94 121.41 2nrg h PHE 25 Ca -0.04 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.58 2nrg h PHE 25 Cb 1.70 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.16 2nrg h PHE 25 CO 0.02 0.36 -1.99 0.00 -2.02 0.00 0.00 178.31 174.67 2nrg n GLN 26 N -3.66 0.68 0.10 1.11 10.64 -1.06 0.49 117.38 125.69 2nrg n GLN 26 Ca -0.01 0.22 -0.23 0.00 -1.83 0.00 0.00 57.00 55.16 2nrg n GLN 26 Cb 0.46 -1.70 -0.15 0.00 -0.86 0.00 0.00 30.24 27.99 2nrg n GLN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2nrg h MET 27 N 0.02 0.44 0.06 2.61 -0.00 -1.50 -0.39 114.93 116.16 2nrg h MET 27 Ca -0.40 -0.75 -0.37 0.00 -0.00 0.00 0.00 59.70 58.18 2nrg h MET 27 Cb 2.04 0.28 -0.04 0.00 -0.00 0.00 0.00 31.60 33.88 2nrg h MET 27 CO 0.06 1.36 -2.17 -0.12 -0.00 0.00 0.00 176.91 176.04 2nrg n MET 28 N -3.84 0.70 -0.07 -0.10 0.00 0.16 -3.29 117.12 110.68 2nrg n MET 28 Ca -0.18 0.21 -0.09 0.00 0.00 0.00 0.00 57.70 57.64 2nrg n MET 28 Cb 1.01 -1.64 -0.15 0.00 0.00 0.00 0.00 33.22 32.44 2nrg n MET 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2nrg n LYS 29 N -3.30 0.67 0.00 2.12 4.81 -0.93 -4.07 118.16 117.46 2nrg n LYS 29 Ca -0.35 0.08 0.13 0.00 -0.87 0.00 0.00 58.31 57.30 2nrg n LYS 29 Cb 1.04 -1.61 0.45 0.00 0.02 0.00 0.00 35.03 34.93 2nrg n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nrg n GLY 30 N 1.68 -0.56 0.14 3.14 0.00 0.18 -2.77 105.19 107.00 2nrg n GLY 30 Ca -0.28 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 2nrg n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nrg h ALA 31 N 3.80 0.40 0.16 4.61 0.00 -1.23 0.86 119.26 127.85 2nrg h ALA 31 Ca 0.00 -1.36 -0.33 0.00 0.00 0.00 0.00 54.91 53.22 2nrg h ALA 31 Cb 0.48 0.70 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2nrg h ALA 31 CO 0.00 1.22 -1.62 0.78 0.00 0.00 0.00 179.25 179.63 2nrg h GLY 32 N 0.81 0.39 0.00 0.00 0.00 -1.71 -3.06 103.07 99.50 2nrg h GLY 32 Ca -0.41 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 45.92 2nrg h GLY 32 CO 0.06 0.88 0.00 1.87 0.00 0.00 0.00 176.54 179.34 2nrg n TRP 33 N -3.54 0.00 0.25 5.60 -0.00 -1.11 -4.10 117.44 114.55 2nrg n TRP 33 Ca -0.20 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.37 2nrg n TRP 33 Cb 1.06 -0.22 0.61 0.00 -0.00 0.00 0.00 31.31 32.77 2nrg n TRP 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2nrg h ALA 34 N -2.00 1.92 -0.09 5.87 0.00 -1.61 0.14 119.26 123.48 2nrg h ALA 34 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2nrg h ALA 34 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2nrg h ALA 34 CO 0.00 0.05 -0.25 0.78 0.00 0.00 0.00 179.25 179.83 2nrg h GLY 35 N 0.13 -0.31 1.21 0.00 0.00 0.86 1.53 103.07 106.49 2nrg h GLY 35 Ca -0.00 0.31 -0.31 0.00 0.00 0.00 0.00 47.33 47.33 2nrg h GLY 35 CO 0.01 -0.20 -1.55 -1.33 0.00 0.00 0.00 176.54 173.46 2nrg h GLY 36 N -0.34 0.27 0.19 4.60 0.00 -1.63 -2.61 103.07 103.55 2nrg h GLY 36 Ca 0.09 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2nrg h GLY 36 CO -0.29 0.60 -0.02 -2.08 0.00 0.00 0.00 176.54 174.75 2nrg h VAL 37 N 0.06 1.24 0.44 4.60 2.07 -0.65 -1.86 116.25 122.16 2nrg h VAL 37 Ca -0.25 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 2nrg h VAL 37 Cb 2.01 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 2nrg h VAL 37 CO 0.15 0.37 -0.21 0.15 0.02 0.00 0.00 177.57 178.06 2nrg h PHE 38 N -0.87 -0.55 -0.97 1.57 3.57 0.20 -2.62 116.94 117.26 2nrg h PHE 38 Ca -0.01 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.49 2nrg h PHE 38 Cb 0.66 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 2nrg h PHE 38 CO 0.16 -0.27 0.63 0.35 -2.23 0.00 0.00 178.31 176.95 2nrg h PHE 39 N -1.09 1.24 -0.19 0.41 3.57 -0.85 0.29 116.94 120.33 2nrg h PHE 39 Ca -0.06 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.51 2nrg h PHE 39 Cb 0.52 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2nrg h PHE 39 CO 0.01 0.79 0.14 0.78 -2.23 0.00 0.00 178.31 177.81 2nrg h GLY 40 N 1.32 0.00 0.49 2.40 0.00 -1.39 0.35 103.07 106.23 2nrg h GLY 40 Ca 0.35 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.43 2nrg h GLY 40 CO -0.07 0.00 -1.32 -0.84 0.00 0.00 0.00 176.54 174.31 2nrg h THR 41 N 0.00 1.07 -0.59 4.70 2.02 -0.71 -2.85 112.91 116.55 2nrg h THR 41 Ca 0.09 -2.38 -0.02 0.00 0.77 0.00 0.00 66.41 64.87 2nrg h THR 41 Cb 0.37 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 2nrg h THR 41 CO -0.00 0.67 0.28 -0.07 0.37 0.00 0.00 175.52 176.77 2nrg h LEU 42 N -0.39 0.75 -0.63 2.58 3.38 0.10 0.52 115.31 121.61 2nrg h LEU 42 Ca -0.29 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 2nrg h LEU 42 Cb 1.68 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2nrg h LEU 42 CO 0.04 0.64 -0.67 0.17 0.09 0.00 0.00 178.44 178.71 2nrg h LEU 43 N 0.83 0.08 -0.08 1.67 -0.00 -0.46 1.27 115.31 118.61 2nrg h LEU 43 Ca 0.21 -0.05 -0.23 0.00 -0.00 0.00 0.00 57.88 57.81 2nrg h LEU 43 Cb 0.09 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 40.75 2nrg h LEU 43 CO -0.03 0.72 -0.85 0.25 -0.00 0.00 0.00 178.44 178.53 2nrg h LEU 44 N 0.04 0.89 0.05 0.17 7.12 -0.89 -2.61 115.31 120.08 2nrg h LEU 44 Ca -0.01 -0.68 -0.30 0.00 0.13 0.00 0.00 57.88 57.02 2nrg h LEU 44 Cb 1.19 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 41.02 2nrg h LEU 44 CO 0.09 1.44 -1.65 -0.38 -0.13 0.00 0.00 178.44 177.81 2nrg n ILE 45 N -3.94 1.63 0.20 4.05 5.41 0.17 -2.38 119.36 124.49 2nrg n ILE 45 Ca -0.09 -0.31 0.04 0.00 1.00 0.00 0.00 62.75 63.39 2nrg n ILE 45 Cb 0.79 -1.90 0.41 0.00 -0.71 0.00 0.00 39.64 38.22 2nrg n ILE 45 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2nrg h GLY 46 N -0.11 0.00 1.32 7.39 0.00 0.15 0.56 103.07 112.38 2nrg h GLY 46 Ca -0.40 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.65 2nrg h GLY 46 CO -0.10 0.00 -1.47 -2.75 0.00 0.00 0.00 176.54 172.21 2nrg h PHE 47 N 0.00 0.19 -0.03 5.60 3.57 -1.46 -2.86 116.94 121.95 2nrg h PHE 47 Ca -0.00 -0.14 -0.21 0.00 3.53 0.00 0.00 57.97 61.14 2nrg h PHE 47 Cb 0.57 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2nrg h PHE 47 CO 0.00 1.18 -0.87 0.35 -2.23 0.00 0.00 178.31 176.74 2nrg h PHE 48 N 0.03 0.64 -0.05 0.41 3.04 -1.09 -1.36 116.94 118.56 2nrg h PHE 48 Ca -0.20 -0.32 -0.16 0.00 3.98 0.00 0.00 57.97 61.26 2nrg h PHE 48 Cb 1.95 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 40.37 2nrg h PHE 48 CO 0.03 1.13 -0.69 0.07 -2.02 0.00 0.00 178.31 176.83 2nrg h ARG 49 N 0.27 0.22 0.00 1.11 -0.00 0.01 -3.14 114.38 112.85 2nrg h ARG 49 Ca -0.07 -0.17 -0.20 0.00 -0.00 0.00 0.00 59.98 59.54 2nrg h ARG 49 Cb 1.49 0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 31.47 2nrg h ARG 49 CO 0.15 0.82 -0.97 -0.24 -0.00 0.00 0.00 179.97 179.73 2nrg h VAL 50 N 0.15 1.60 0.00 0.08 3.04 -1.50 -2.48 116.25 117.15 2nrg h VAL 50 Ca -0.02 -3.28 0.00 0.00 -1.01 0.00 0.00 66.70 62.39 2nrg h VAL 50 Cb 1.23 2.79 0.00 0.00 -2.01 0.00 0.00 31.29 33.30 2nrg h VAL 50 CO 0.11 0.91 0.00 0.52 -1.01 0.00 0.00 177.57 178.10 2nrg n VAL 51 N -3.33 1.18 0.13 1.51 0.31 -0.52 -1.78 118.33 115.82 2nrg n VAL 51 Ca -0.00 0.29 0.03 0.00 -0.01 0.00 0.00 64.34 64.65 2nrg n VAL 51 Cb 0.92 -1.11 -0.04 0.00 -0.91 0.00 0.00 33.84 32.70 2nrg n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nrg n GLY 52 N -0.41 0.06 0.87 2.92 0.00 -1.16 -4.13 105.19 103.35 2nrg n GLY 52 Ca 0.03 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.97 2nrg n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nrg n ARG 53 N -1.44 3.03 -2.31 1.61 1.74 -0.88 -4.56 116.66 113.85 2nrg n ARG 53 Ca -0.00 -2.51 -0.03 0.00 -0.77 0.00 0.00 57.85 54.54 2nrg n ARG 53 Cb 0.13 -1.61 0.04 0.00 -1.02 0.00 0.00 32.46 29.99 2nrg n ARG 53 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2nrg n MET 54 N 0.12 0.50 0.21 5.56 2.81 -0.74 -5.00 117.12 120.59 2nrg n MET 54 Ca 0.18 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.33 2nrg n MET 54 Cb 0.70 0.08 0.00 0.00 -0.71 0.00 0.00 33.22 33.29 2nrg n MET 54 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2nrg n LEU 55 N -0.58 -3.05 0.24 4.03 4.32 -1.26 -4.64 117.00 116.06 2nrg n LEU 55 Ca -0.14 0.80 0.11 0.00 -0.02 0.00 0.00 56.01 56.76 2nrg n LEU 55 Cb 0.68 2.90 0.57 0.00 -1.62 0.00 0.00 43.42 45.95 2nrg n LEU 55 CO -0.08 -0.02 0.94 -0.65 -1.22 0.00 0.00 177.39 176.35 2nrg h PRO 56 N 0.00 0.00 0.00 3.23 0.11 -1.80 3.69 132.00 137.23 2nrg h PRO 56 Ca 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.82 2nrg h PRO 56 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2nrg h PRO 56 CO 0.00 0.00 -1.60 1.51 -0.21 0.00 0.00 178.00 177.70 2nrg n ILE 57 N -2.42 1.53 -0.02 4.15 0.00 -1.26 -4.31 119.36 117.03 2nrg n ILE 57 Ca -0.01 -0.12 -0.14 0.00 0.00 0.00 0.00 62.75 62.47 2nrg n ILE 57 Cb 0.32 -2.00 -0.14 0.00 0.00 0.00 0.00 39.64 37.83 2nrg n ILE 57 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2nrg n GLN 58 N -4.38 0.69 0.27 9.51 7.27 -0.24 -4.00 117.38 126.50 2nrg n GLN 58 Ca -0.38 0.25 0.18 0.00 0.07 0.00 0.00 57.00 57.12 2nrg n GLN 58 Cb 0.74 -1.72 0.96 0.00 2.41 0.00 0.00 30.24 32.62 2nrg n GLN 58 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2nrg h GLU 59 N 0.03 0.00 -0.64 3.69 4.22 0.67 -2.11 114.58 120.43 2nrg h GLU 59 Ca -0.38 0.00 0.19 0.00 0.08 0.00 0.00 59.36 59.25 2nrg h GLU 59 Cb 2.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 2nrg h GLU 59 CO 0.07 0.00 0.70 -0.91 -2.18 0.00 0.00 179.01 176.69 2nrg h ASN 60 N 0.00 0.00 -4.33 1.04 4.21 -1.69 -3.46 115.58 111.35 2nrg h ASN 60 Ca 0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 2nrg h ASN 60 Cb 0.06 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.29 2nrg h ASN 60 CO 0.00 0.00 -0.14 1.67 -1.29 0.00 0.00 177.43 177.67 2nrg n GLN 61 N -3.58 -0.88 -3.69 0.81 0.00 -0.79 -5.08 117.38 104.16 2nrg n GLN 61 Ca 0.13 0.89 -0.10 0.00 -0.00 0.00 0.00 57.00 57.92 2nrg n GLN 61 Cb 0.93 -3.89 -0.10 0.00 0.00 0.00 0.00 30.24 27.18 2nrg n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2nrg s ALA 62 N -3.06 -1.20 0.00 1.69 0.00 -1.26 -5.10 121.76 112.82 2nrg s ALA 62 Ca 0.07 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2nrg s ALA 62 Cb -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2nrg s ALA 62 CO 0.42 -0.28 0.72 -2.30 0.00 0.00 0.00 175.76 174.32 2nrg n PRO 63 N 4.01 0.00 -2.68 0.00 -0.02 -1.26 -4.72 135.00 130.33 2nrg n PRO 63 Ca -0.21 0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.54 2nrg n PRO 63 Cb 0.56 -1.28 0.07 0.00 -0.02 0.00 0.00 33.50 32.84 2nrg n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nrg n ALA 64 N -1.55 2.39 -0.04 3.55 0.00 -1.26 -4.26 120.51 119.35 2nrg n ALA 64 Ca 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 53.44 51.15 2nrg n ALA 64 Cb 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 2nrg n ALA 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2nrg n PRO 65 N -0.32 0.21 0.05 0.00 -0.04 -1.26 -4.68 135.00 128.96 2nrg n PRO 65 Ca 0.03 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.52 2nrg n PRO 65 Cb 0.83 -0.99 -0.07 0.00 -0.04 0.00 0.00 33.50 33.23 2nrg n PRO 65 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2nrg h ASN 66 N -0.43 0.73 0.00 3.54 2.35 -1.94 -3.48 115.58 116.36 2nrg h ASN 66 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 2nrg h ASN 66 Cb 0.35 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2nrg h ASN 66 CO 0.00 1.38 0.00 -0.38 -1.65 0.00 0.00 177.43 176.78 2nrg n ILE 67 N -3.81 0.00 -2.00 2.81 5.41 -1.26 -5.09 119.36 115.42 2nrg n ILE 67 Ca -0.09 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.60 2nrg n ILE 67 Cb 0.85 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.72 2nrg n ILE 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 2nrg n THR 68 N 0.00 0.00 0.00 1.39 -1.04 -1.26 -4.47 114.28 108.90 2nrg n THR 68 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2nrg n THR 68 Cb 0.00 0.44 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 2nrg n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2nrg n GLY 69 N 0.00 2.10 3.08 3.41 0.00 -1.26 -4.73 105.19 107.80 2nrg n GLY 69 Ca -0.25 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2nrg n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nrg s ALA 70 N -0.28 2.26 0.00 4.61 0.00 -1.26 -4.70 121.76 122.39 2nrg s ALA 70 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2nrg s ALA 70 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.89 2nrg s ALA 70 CO 0.00 -0.53 0.00 1.28 0.00 0.00 0.00 175.76 176.51 2nrg n LEU 71 N 4.62 0.00 0.00 0.00 4.77 -1.26 -4.71 117.00 120.42 2nrg n LEU 71 Ca -0.19 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.82 2nrg n LEU 71 Cb 0.48 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 2nrg n LEU 71 CO 0.24 0.00 0.58 -0.62 -1.33 0.00 0.00 177.39 176.26 2nrg n GLU 72 N 0.00 0.01 -0.73 3.23 1.02 -1.26 -4.77 120.64 118.14 2nrg n GLU 72 Ca 0.00 -0.26 -0.29 0.00 -0.02 0.00 0.00 57.16 56.59 2nrg n GLU 72 Cb 0.00 0.50 0.22 0.00 -0.02 0.00 0.00 31.44 32.14 2nrg n GLU 72 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2nrg s THR 73 N -2.01 2.11 -0.96 2.62 -1.32 -1.26 -4.77 115.64 110.04 2nrg s THR 73 Ca 0.16 0.03 -0.26 0.00 -1.21 0.00 0.00 61.69 60.41 2nrg s THR 73 Cb -0.00 -2.20 -0.18 0.00 -1.51 0.00 0.00 72.50 68.61 2nrg s THR 73 CO -0.01 -0.05 2.22 -0.83 -2.21 0.00 0.00 174.62 173.74 2nrg s GLY 74 N -2.78 -0.93 -0.14 6.08 0.00 -1.26 -4.88 107.32 103.42 2nrg s GLY 74 Ca 0.67 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 44.17 2nrg s GLY 74 CO 0.62 4.22 -0.16 -0.26 0.00 0.00 0.00 173.10 177.52 2nrg s ILE 75 N 15.73 2.69 -0.48 0.90 -5.25 -1.26 -5.00 121.20 128.53 2nrg s ILE 75 Ca 0.85 -0.78 0.02 0.00 -0.99 0.00 0.00 60.65 59.75 2nrg s ILE 75 Cb -0.08 -2.11 0.56 0.00 2.95 0.00 0.00 42.46 43.77 2nrg s ILE 75 CO 0.13 0.53 1.91 -0.62 -1.79 0.00 0.00 174.94 175.10 2nrg n GLU 76 N 3.76 2.28 0.26 0.37 -0.58 -1.26 -4.55 120.64 120.93 2nrg n GLU 76 Ca -0.19 -2.87 0.14 0.00 -0.42 0.00 0.00 57.16 53.83 2nrg n GLU 76 Cb 0.52 -2.12 0.84 0.00 -0.57 0.00 0.00 31.44 30.11 2nrg n GLU 76 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2nrg h LEU 77 N 1.32 0.00 0.00 -4.62 5.85 -1.98 0.85 115.31 116.73 2nrg h LEU 77 Ca 0.58 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.30 2nrg h LEU 77 Cb 2.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.19 2nrg h LEU 77 CO 1.16 0.00 0.00 2.30 -0.34 0.00 0.00 178.44 181.56 2nrg n ILE 78 N -3.99 0.47 -2.96 4.05 -5.35 -1.26 -4.88 119.36 105.44 2nrg n ILE 78 Ca -0.02 0.12 -0.14 0.00 -0.27 0.00 0.00 62.75 62.44 2nrg n ILE 78 Cb 0.15 -0.78 0.04 0.00 -1.74 0.00 0.00 39.64 37.31 2nrg n ILE 78 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2nrg n LYS 79 N -1.37 -3.94 -0.93 6.28 4.76 0.29 -4.93 118.16 118.31 2nrg n LYS 79 Ca 0.08 0.51 -0.08 0.00 -2.87 0.00 0.00 58.31 55.95 2nrg n LYS 79 Cb 0.19 -4.56 0.18 0.00 -1.84 0.00 0.00 35.03 29.01 2nrg n LYS 79 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2nrg n HIS 80 N -3.99 1.38 -2.58 2.13 -0.00 -1.26 -5.00 115.22 105.90 2nrg n HIS 80 Ca -0.03 -1.72 -0.43 0.00 0.46 0.00 0.00 57.72 56.00 2nrg n HIS 80 Cb 0.55 -0.55 -0.02 0.00 -0.12 0.00 0.00 29.99 29.85 2nrg n HIS 80 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2nrg s LEU 81 N -3.30 4.13 0.00 0.27 2.96 -1.26 -5.10 118.68 116.38 2nrg s LEU 81 Ca 0.47 1.49 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 2nrg s LEU 81 Cb 0.42 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.57 2nrg s LEU 81 CO 0.00 -0.69 0.00 1.33 -1.32 0.00 0.00 176.35 175.67