#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orc s GLU 2 N 0.00 0.60 -0.62 0.03 2.02 -1.26 -4.83 118.70 114.64 2orc s GLU 2 Ca 0.00 -0.27 0.05 0.00 0.02 0.00 0.00 54.97 54.77 2orc s GLU 2 Cb 0.00 0.26 0.19 0.00 0.10 0.00 0.00 34.13 34.68 2orc s GLU 2 CO 0.00 -0.16 0.52 1.04 0.02 0.00 0.00 175.26 176.69 2orc n GLN 3 N 1.34 1.60 -2.54 1.61 1.13 -1.26 -5.02 117.38 114.24 2orc n GLN 3 Ca -0.22 -4.19 -0.42 0.00 -1.94 0.00 0.00 57.00 50.23 2orc n GLN 3 Cb 0.56 -2.09 -0.01 0.00 0.11 0.00 0.00 30.24 28.81 2orc n GLN 3 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2orc s ARG 4 N -1.39 3.87 0.60 -1.09 3.52 -1.25 -2.10 118.95 121.10 2orc s ARG 4 Ca 0.30 -1.93 -0.06 0.00 -0.13 0.00 0.00 55.73 53.92 2orc s ARG 4 Cb 0.03 -5.51 0.01 0.00 -1.56 0.00 0.00 34.95 27.92 2orc s ARG 4 CO -0.14 -2.40 0.91 0.42 -0.81 0.00 0.00 175.30 173.28 2orc s ILE 5 N 4.79 3.62 1.07 4.11 1.01 -0.60 -4.77 121.20 130.43 2orc s ILE 5 Ca 0.55 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 61.04 2orc s ILE 5 Cb 0.04 -3.45 0.26 0.00 0.01 0.00 0.00 42.46 39.32 2orc s ILE 5 CO 0.08 -0.46 0.97 0.41 0.00 0.00 0.00 174.94 175.94 2orc n THR 6 N -2.60 0.00 -0.03 2.92 -1.04 -1.26 -1.20 114.28 111.06 2orc n THR 6 Ca 0.05 -0.44 -0.21 0.00 -2.04 0.00 0.00 64.05 61.40 2orc n THR 6 Cb 0.58 -1.23 -0.13 0.00 -1.82 0.00 0.00 70.33 67.72 2orc n THR 6 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2orc n LEU 7 N 0.00 2.69 -0.03 -4.42 7.94 -1.26 -3.59 117.00 118.34 2orc n LEU 7 Ca 0.13 0.14 -0.02 0.00 -1.11 0.00 0.00 56.01 55.15 2orc n LEU 7 Cb 0.52 -1.07 -0.01 0.00 0.53 0.00 0.00 43.42 43.39 2orc n LEU 7 CO 0.36 0.86 -0.13 0.50 -1.11 0.00 0.00 177.39 177.86 2orc h LYS 8 N 0.02 0.00 -0.85 1.96 3.11 -1.92 -3.10 116.57 115.78 2orc h LYS 8 Ca -0.46 0.00 0.19 0.00 -2.81 0.00 0.00 60.65 57.57 2orc h LYS 8 Cb 1.98 0.00 -0.16 0.00 -1.00 0.00 0.00 32.23 33.05 2orc h LYS 8 CO 0.04 0.00 -0.09 -0.44 -2.81 0.00 0.00 179.45 176.14 2orc h ASP 9 N -0.41 -0.59 0.23 4.20 5.19 -1.98 0.25 116.42 123.31 2orc h ASP 9 Ca 0.00 0.24 0.01 0.00 -0.62 0.00 0.00 57.03 56.66 2orc h ASP 9 Cb 0.19 0.46 -0.04 0.00 0.18 0.00 0.00 39.33 40.13 2orc h ASP 9 CO 0.00 -0.27 -0.40 0.22 -3.12 0.00 0.00 179.24 175.67 2orc h TYR 10 N 0.03 -1.11 -0.77 4.55 3.20 -1.74 0.61 116.97 121.75 2orc h TYR 10 Ca 0.45 0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.56 2orc h TYR 10 Cb 0.79 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 39.48 2orc h TYR 10 CO -0.56 -0.52 0.69 0.00 -1.64 0.00 0.00 178.16 176.13 2orc h ALA 11 N -0.25 2.60 -0.33 1.82 0.00 -0.49 0.28 119.26 122.89 2orc h ALA 11 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2orc h ALA 11 Cb 0.69 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2orc h ALA 11 CO -0.17 -1.08 -0.20 1.98 0.00 0.00 0.00 179.25 179.78 2orc h MET 12 N 0.00 0.71 0.00 0.00 1.85 0.64 -0.21 114.93 117.93 2orc h MET 12 Ca 0.36 -0.33 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 2orc h MET 12 Cb 1.74 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.76 2orc h MET 12 CO -0.00 0.94 0.00 -0.09 -0.40 0.00 0.00 176.91 177.35 2orc h ARG 13 N 0.48 0.00 0.00 0.39 9.65 -0.19 -3.42 114.38 121.30 2orc h ARG 13 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2orc h ARG 13 Cb 0.74 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 2orc h ARG 13 CO 0.06 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.02 2orc n PHE 14 N -2.31 0.00 -4.02 2.20 3.01 -0.48 -5.12 117.46 110.74 2orc n PHE 14 Ca 0.05 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.56 2orc n PHE 14 Cb 0.42 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.90 2orc n PHE 14 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2orc s GLY 15 N -0.98 -0.22 -0.01 1.37 0.00 -0.11 -4.98 107.32 102.39 2orc s GLY 15 Ca 0.00 0.18 0.14 0.00 0.00 0.00 0.00 44.72 45.04 2orc s GLY 15 CO 0.00 6.59 0.71 -0.18 0.00 0.00 0.00 173.10 180.22 2orc n GLN 16 N -0.96 0.63 0.07 2.90 -0.06 -1.26 -3.52 117.38 115.18 2orc n GLN 16 Ca 0.06 0.27 0.02 0.00 -2.00 0.00 0.00 57.00 55.35 2orc n GLN 16 Cb 0.58 -1.80 -0.04 0.00 -4.06 0.00 0.00 30.24 24.92 2orc n GLN 16 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2orc h THR 17 N 0.00 0.55 0.29 1.69 1.03 -1.95 -2.63 112.91 111.89 2orc h THR 17 Ca -0.25 -1.95 -0.01 0.00 -0.01 0.00 0.00 66.41 64.19 2orc h THR 17 Cb 1.88 2.09 0.00 0.00 -1.07 0.00 0.00 68.15 71.06 2orc h THR 17 CO 0.07 0.31 -0.14 0.11 -0.01 0.00 0.00 175.52 175.86 2orc h LYS 18 N 0.00 -0.38 -0.23 0.00 1.57 -1.95 0.65 116.57 116.24 2orc h LYS 18 Ca -0.10 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2orc h LYS 18 Cb 1.46 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 2orc h LYS 18 CO 0.05 -0.19 0.15 1.15 -0.57 0.00 0.00 179.45 180.04 2orc h THR 19 N -1.08 1.06 0.00 -0.16 2.02 -1.73 0.20 112.91 113.22 2orc h THR 19 Ca -0.04 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2orc h THR 19 Cb 0.36 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2orc h THR 19 CO 0.07 0.06 -0.05 0.00 0.37 0.00 0.00 175.52 175.96 2orc h ALA 20 N 1.86 0.98 -0.15 6.16 0.00 -1.46 -2.66 119.26 123.99 2orc h ALA 20 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2orc h ALA 20 Cb -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2orc h ALA 20 CO -0.02 0.07 -0.07 0.87 0.00 0.00 0.00 179.25 180.09 2orc h LYS 21 N 0.00 0.31 -0.01 0.00 1.79 0.13 0.73 116.57 119.52 2orc h LYS 21 Ca -0.00 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2orc h LYS 21 Cb 0.86 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2orc h LYS 21 CO 0.01 0.64 -0.36 -3.47 -1.08 0.00 0.00 179.45 175.19 2orc n ASP 22 N -4.65 0.95 -1.94 0.86 -0.08 -1.18 -4.47 116.55 106.04 2orc n ASP 22 Ca -0.06 -0.77 -0.03 0.00 -1.51 0.00 0.00 54.79 52.42 2orc n ASP 22 Cb 0.30 0.21 0.05 0.00 2.34 0.00 0.00 41.12 44.02 2orc n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2orc n LEU 23 N -0.85 -1.12 -2.74 -2.67 -0.00 -1.00 -4.74 117.00 103.87 2orc n LEU 23 Ca 0.10 -2.49 -0.08 0.00 -0.00 0.00 0.00 56.01 53.54 2orc n LEU 23 Cb 0.35 0.14 0.06 0.00 -0.00 0.00 0.00 43.42 43.97 2orc n LEU 23 CO 0.29 1.53 0.26 0.61 -0.00 0.00 0.00 177.39 180.08 2orc n GLY 24 N -0.86 0.09 0.00 1.47 0.00 0.25 -4.75 105.19 101.39 2orc n GLY 24 Ca -0.19 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2orc n GLY 24 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2orc n VAL 25 N 1.29 0.11 -3.55 1.61 0.31 -1.12 -3.86 118.33 113.12 2orc n VAL 25 Ca 0.08 0.03 -0.28 0.00 -0.01 0.00 0.00 64.34 64.16 2orc n VAL 25 Cb 0.65 -0.65 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2orc n VAL 25 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2orc s TYR 26 N -2.23 1.69 0.47 3.52 1.51 -1.26 -4.97 117.35 116.08 2orc s TYR 26 Ca 0.30 -2.48 0.32 0.00 -1.01 0.00 0.00 57.07 54.21 2orc s TYR 26 Cb 0.16 -1.43 1.11 0.00 -0.11 0.00 0.00 41.96 41.70 2orc s TYR 26 CO 0.31 -0.76 1.17 0.94 -1.11 0.00 0.00 175.55 176.09 2orc n GLN 27 N 2.89 0.01 0.00 -0.62 7.27 -1.25 0.66 117.38 126.33 2orc n GLN 27 Ca 0.23 0.86 -0.08 0.00 0.07 0.00 0.00 57.00 58.07 2orc n GLN 27 Cb 0.42 -2.04 -0.06 0.00 2.41 0.00 0.00 30.24 30.96 2orc n GLN 27 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2orc h SER 28 N 0.00 -0.11 0.00 1.69 4.64 -1.93 -2.75 113.55 115.10 2orc h SER 28 Ca 0.60 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2orc h SER 28 Cb 2.77 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 64.89 2orc h SER 28 CO -0.01 0.53 0.11 0.00 -0.87 0.00 0.00 176.83 176.60 2orc h ALA 29 N -0.50 1.10 0.25 5.18 0.00 -0.19 -2.06 119.26 123.04 2orc h ALA 29 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2orc h ALA 29 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2orc h ALA 29 CO 0.02 -0.10 -0.12 0.82 0.00 0.00 0.00 179.25 179.87 2orc h ILE 30 N 0.00 0.00 0.00 0.00 1.08 -1.05 -1.25 117.51 116.29 2orc h ILE 30 Ca 0.00 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 2orc h ILE 30 Cb 0.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 2orc h ILE 30 CO 0.00 0.00 0.00 0.59 -0.69 0.00 0.00 178.15 178.05 2orc n ASN 31 N -4.59 0.00 -0.04 1.72 4.13 -0.93 0.00 115.26 115.55 2orc n ASN 31 Ca -0.04 0.48 -0.18 0.00 1.68 0.00 0.00 54.58 56.51 2orc n ASN 31 Cb 0.13 -0.48 -0.14 0.00 -1.54 0.00 0.00 39.78 37.75 2orc n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2orc n LYS 32 N -1.48 0.71 0.00 3.52 4.81 -0.82 -0.86 118.16 124.05 2orc n LYS 32 Ca 0.01 0.22 0.14 0.00 -0.87 0.00 0.00 58.31 57.81 2orc n LYS 32 Cb 0.04 -1.66 0.58 0.00 0.02 0.00 0.00 35.03 34.01 2orc n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2orc n ALA 33 N -2.99 2.64 -0.08 3.14 0.00 -0.48 -2.12 120.51 120.62 2orc n ALA 33 Ca -0.34 -0.18 -0.16 0.00 0.00 0.00 0.00 53.44 52.77 2orc n ALA 33 Cb 1.04 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 2orc n ALA 33 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2orc n ILE 34 N -1.36 0.85 0.17 0.00 5.41 0.10 -3.62 119.36 120.90 2orc n ILE 34 Ca 0.09 -0.23 0.02 0.00 1.00 0.00 0.00 62.75 63.63 2orc n ILE 34 Cb 0.31 -1.60 0.28 0.00 -0.71 0.00 0.00 39.64 37.93 2orc n ILE 34 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2orc h HIS 35 N -0.46 0.00 -0.23 1.39 2.76 -1.13 -2.92 115.15 114.56 2orc h HIS 35 Ca -0.38 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 57.72 2orc h HIS 35 Cb 1.37 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 2orc h HIS 35 CO -0.04 0.47 -0.15 0.00 -1.30 0.00 0.00 177.93 176.91 2orc h ALA 36 N 1.53 1.32 0.00 5.26 0.00 -1.55 -3.47 119.26 122.34 2orc h ALA 36 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2orc h ALA 36 Cb 0.91 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2orc h ALA 36 CO 0.06 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2orc n GLY 37 N -0.68 0.88 2.40 0.00 0.00 -1.10 -5.10 105.19 101.60 2orc n GLY 37 Ca -0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 2orc n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2orc n ARG 38 N 0.00 -0.08 -3.41 1.61 5.12 -1.24 -5.04 116.66 113.63 2orc n ARG 38 Ca 0.00 -1.58 -0.29 0.00 -1.93 0.00 0.00 57.85 54.04 2orc n ARG 38 Cb 0.00 -0.52 -0.07 0.00 -1.16 0.00 0.00 32.46 30.71 2orc n ARG 38 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2orc n LYS 39 N -2.29 2.73 -4.32 5.56 4.81 -1.26 -5.06 118.16 118.32 2orc n LYS 39 Ca 0.10 -4.64 -0.25 0.00 -0.87 0.00 0.00 58.31 52.65 2orc n LYS 39 Cb 0.36 -2.30 -0.09 0.00 0.02 0.00 0.00 35.03 33.03 2orc n LYS 39 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2orc s ILE 40 N -2.41 2.50 0.28 3.15 1.01 -1.26 -2.74 121.20 121.73 2orc s ILE 40 Ca 0.37 -1.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.03 2orc s ILE 40 Cb 0.11 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 2orc s ILE 40 CO -0.01 -0.14 0.45 -0.36 0.00 0.00 0.00 174.94 174.88 2orc s PHE 41 N -2.55 0.69 -0.00 3.97 0.08 -1.12 -4.02 117.98 115.02 2orc s PHE 41 Ca 0.36 -1.00 -0.05 0.00 0.12 0.00 0.00 56.93 56.36 2orc s PHE 41 Cb 0.02 0.03 -0.00 0.00 -0.57 0.00 0.00 43.02 42.50 2orc s PHE 41 CO 0.20 -1.02 0.09 -0.51 -0.10 0.00 0.00 175.22 173.88 2orc s LEU 42 N -3.11 1.71 -0.36 -0.37 1.02 -0.34 -1.97 118.68 115.26 2orc s LEU 42 Ca 0.27 -0.19 -0.04 0.00 0.02 0.00 0.00 54.13 54.20 2orc s LEU 42 Cb 0.00 0.49 0.07 0.00 0.02 0.00 0.00 46.19 46.77 2orc s LEU 42 CO 0.13 -0.29 0.12 -0.89 0.02 0.00 0.00 176.35 175.44 2orc s THR 43 N -1.11 3.33 0.00 5.49 2.01 -1.00 -1.55 115.64 122.81 2orc s THR 43 Ca -0.12 -1.62 0.00 0.00 0.31 0.00 0.00 61.69 60.26 2orc s THR 43 Cb -0.07 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.37 2orc s THR 43 CO 0.01 -0.39 0.00 -0.38 -0.69 0.00 0.00 174.62 173.17 2orc n ILE 44 N 4.66 0.00 0.00 1.82 5.41 -0.89 -1.55 119.36 128.81 2orc n ILE 44 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2orc n ILE 44 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 2orc n ILE 44 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2orc n ASN 45 N 0.00 0.00 -1.78 4.38 6.94 -1.26 -4.37 115.26 119.17 2orc n ASN 45 Ca 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.39 2orc n ASN 45 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 2orc n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2orc n ALA 46 N 2.75 -0.39 0.00 -2.53 0.00 -1.26 -0.59 120.51 118.48 2orc n ALA 46 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2orc n ALA 46 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2orc n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2orc n ASP 47 N -1.24 0.00 0.00 0.00 2.03 -1.26 -4.21 116.55 111.87 2orc n ASP 47 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2orc n ASP 47 Cb 0.59 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2orc n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2orc n GLY 48 N -0.42 0.31 3.57 0.27 0.00 -0.28 -4.91 105.19 103.72 2orc n GLY 48 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2orc n GLY 48 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2orc s SER 49 N -2.13 5.42 -0.10 1.61 0.15 0.24 -4.66 113.70 114.24 2orc s SER 49 Ca 0.00 0.86 -0.30 0.00 0.70 0.00 0.00 55.95 57.22 2orc s SER 49 Cb 0.00 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2orc s SER 49 CO 0.00 -2.16 1.01 -0.69 1.20 0.00 0.00 173.24 172.60 2orc s VAL 50 N 8.56 4.78 0.25 4.45 1.01 -1.26 -3.98 120.40 134.19 2orc s VAL 50 Ca 0.77 2.03 0.09 0.00 0.00 0.00 0.00 61.98 64.87 2orc s VAL 50 Cb -0.18 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 2orc s VAL 50 CO 0.27 0.02 0.00 -0.31 0.00 0.00 0.00 175.10 175.08 2orc s TYR 51 N 1.94 2.74 -0.31 5.22 2.02 -0.60 -4.89 117.35 123.47 2orc s TYR 51 Ca 0.49 -0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.96 2orc s TYR 51 Cb -0.19 -1.24 0.11 0.00 -0.40 0.00 0.00 41.96 40.25 2orc s TYR 51 CO 0.19 0.59 0.15 0.00 -1.57 0.00 0.00 175.55 174.91 2orc s ALA 52 N -2.18 0.78 -0.17 3.71 0.00 -1.26 -2.38 121.76 120.26 2orc s ALA 52 Ca 0.30 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 2orc s ALA 52 Cb -0.07 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 2orc s ALA 52 CO 0.20 -1.79 -0.07 -1.21 0.00 0.00 0.00 175.76 172.89 2orc s GLU 53 N 1.75 3.45 0.61 0.00 2.02 -0.83 -3.44 118.70 122.27 2orc s GLU 53 Ca 0.12 -0.62 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 2orc s GLU 53 Cb -0.18 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.18 2orc s GLU 53 CO -0.25 0.06 0.99 -1.21 0.02 0.00 0.00 175.26 174.87 2orc s GLU 54 N 0.79 3.34 -0.07 1.61 2.02 -0.77 -2.80 118.70 122.81 2orc s GLU 54 Ca -0.03 0.50 -0.03 0.00 0.02 0.00 0.00 54.97 55.43 2orc s GLU 54 Cb -0.15 -2.14 0.04 0.00 0.10 0.00 0.00 34.13 31.98 2orc s GLU 54 CO 0.01 -0.63 0.12 0.08 0.02 0.00 0.00 175.26 174.87 2orc s VAL 55 N -3.12 -0.19 -0.08 2.63 1.01 -1.11 -2.34 120.40 117.21 2orc s VAL 55 Ca 0.54 0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 2orc s VAL 55 Cb -0.11 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.06 2orc s VAL 55 CO 0.51 0.15 0.27 -0.75 0.00 0.00 0.00 175.10 175.27 2orc s LYS 56 N 2.07 0.40 1.46 2.72 2.20 -1.16 -4.80 119.74 122.62 2orc s LYS 56 Ca 0.02 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 2orc s LYS 56 Cb -0.12 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 2orc s LYS 56 CO -0.05 -0.07 0.00 -3.47 -0.36 0.00 0.00 175.35 171.40 2orc n ASP 56 N 2.50 0.00 -2.07 1.43 2.03 -1.26 -1.76 116.55 117.42 2orc n ASP 56 Ca -0.15 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.12 2orc n ASP 56 Cb 0.57 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.03 2orc n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2orc n GLY 56 N 0.00 1.47 3.33 0.27 0.00 -1.26 -5.11 105.19 103.89 2orc n GLY 56 Ca 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2orc n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2orc s GLU 56 N -0.19 0.46 0.41 1.61 0.41 -0.72 -5.17 118.70 115.51 2orc s GLU 56 Ca 0.08 0.81 0.08 0.00 -0.41 0.00 0.00 54.97 55.53 2orc s GLU 56 Cb 0.29 0.05 0.00 0.00 -1.78 0.00 0.00 34.13 32.69 2orc s GLU 56 CO -0.08 -0.14 0.53 0.14 -0.49 0.00 0.00 175.26 175.22 2orc s VAL 56 N 1.20 3.00 0.30 2.63 -7.23 -1.26 -2.98 120.40 116.06 2orc s VAL 56 Ca -0.08 -1.06 -0.02 0.00 -1.81 0.00 0.00 61.98 59.02 2orc s VAL 56 Cb -0.07 -3.02 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 2orc s VAL 56 CO -0.11 -0.01 0.36 -0.54 -0.31 0.00 0.00 175.10 174.50 2orc s LYS 56 N -4.30 1.68 0.00 4.82 1.02 -0.99 -4.90 119.74 117.08 2orc s LYS 56 Ca 0.53 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.81 2orc s LYS 56 Cb -0.09 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 2orc s LYS 56 CO 0.32 -0.66 0.00 -2.30 -0.92 0.00 0.00 175.35 171.79 2orc n PRO 57 N -0.49 0.83 0.00 -1.68 -0.02 -1.26 -1.85 135.00 130.53 2orc n PRO 57 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2orc n PRO 57 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 2orc n PRO 57 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2orc n PHE 58 N -0.58 0.00 -2.48 6.00 7.35 -1.22 -3.63 117.46 122.90 2orc n PHE 58 Ca 0.00 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.26 2orc n PHE 58 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 2orc n PHE 58 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2orc s PRO 59 N 0.00 3.55 -0.87 -7.13 0.04 -1.26 -4.53 135.00 124.80 2orc s PRO 59 Ca 0.00 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 61.39 2orc s PRO 59 Cb 0.00 -4.01 -0.22 0.00 0.04 0.00 0.00 34.50 30.31 2orc s PRO 59 CO 0.00 -1.62 2.43 -1.13 0.04 0.00 0.00 177.00 176.72 2orc n SER 60 N 8.61 0.36 -2.90 6.66 3.41 -1.24 -4.68 113.62 123.84 2orc n SER 60 Ca 0.13 -0.47 -0.13 0.00 -0.26 0.00 0.00 58.87 58.14 2orc n SER 60 Cb 0.49 -1.05 0.04 0.00 -0.26 0.00 0.00 64.21 63.43 2orc n SER 60 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2orc n ASN 61 N 11.33 -1.30 -2.52 4.04 4.05 -1.26 -4.97 115.26 124.64 2orc n ASN 61 Ca 0.58 -3.36 -0.04 0.00 0.45 0.00 0.00 54.58 52.21 2orc n ASN 61 Cb 0.23 0.97 0.02 0.00 1.23 0.00 0.00 39.78 42.22 2orc n ASN 61 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2orc n LYS 62 N 0.61 0.41 -1.20 1.20 4.81 -1.26 -5.00 118.16 117.73 2orc n LYS 62 Ca 0.13 -0.84 -0.19 0.00 -0.87 0.00 0.00 58.31 56.55 2orc n LYS 62 Cb 0.66 0.02 0.14 0.00 0.02 0.00 0.00 35.03 35.87 2orc n LYS 62 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2orc n LYS 63 N -0.53 2.37 -2.69 1.64 5.02 -1.26 -4.97 118.16 117.74 2orc n LYS 63 Ca -0.19 -3.31 -0.41 0.00 -2.02 0.00 0.00 58.31 52.38 2orc n LYS 63 Cb 0.68 -2.08 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 2orc n LYS 63 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2orc s THR 64 N -3.80 4.19 -1.64 -0.18 2.01 -1.26 -3.35 115.64 111.61 2orc s THR 64 Ca 0.53 1.98 0.00 0.00 0.31 0.00 0.00 61.69 64.51 2orc s THR 64 Cb 0.45 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2orc s THR 64 CO 0.03 0.38 0.00 1.07 -0.69 0.00 0.00 174.62 175.41 2orc n THR 65 N 2.14 -0.64 -0.91 -0.82 5.66 -1.26 -5.29 114.28 113.15 2orc n THR 65 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2orc n THR 65 Cb 0.48 -2.36 0.00 0.00 -1.55 0.00 0.00 70.33 66.89 2orc n THR 65 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02