#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5v s GLU 5 N 0.00 3.04 0.40 -0.52 2.12 -1.26 -5.12 118.70 117.36 1m5v s GLU 5 Ca 0.00 -1.08 0.08 0.00 0.36 0.00 0.00 54.97 54.33 1m5v s GLU 5 Cb 0.00 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.59 1m5v s GLU 5 CO 0.00 0.01 0.39 0.99 -0.54 0.00 0.00 175.26 176.10 1m5v s THR 6 N -2.22 2.85 0.53 -1.70 2.01 -1.26 -5.11 115.64 110.74 1m5v s THR 6 Ca 0.46 -1.31 -0.19 0.00 0.31 0.00 0.00 61.69 60.97 1m5v s THR 6 Cb -0.09 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 1m5v s THR 6 CO 0.31 -0.03 1.06 -0.13 -0.69 0.00 0.00 174.62 175.14 1m5v s ARG 7 N -4.13 3.54 0.44 4.92 0.52 -1.26 -4.88 118.95 118.10 1m5v s ARG 7 Ca 0.48 1.36 -0.25 0.00 -0.52 0.00 0.00 55.73 56.80 1m5v s ARG 7 Cb -0.04 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.28 1m5v s ARG 7 CO 0.28 -0.65 1.39 -2.30 0.02 0.00 0.00 175.30 174.05 1m5v n PRO 8 N -1.38 2.19 -4.07 3.54 -0.02 -1.26 -4.77 135.00 129.23 1m5v n PRO 8 Ca 0.10 0.78 -0.08 0.00 -2.02 0.00 0.00 63.50 62.27 1m5v n PRO 8 Cb 0.52 -2.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.34 1m5v n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1m5v s ASN 9 N -0.47 0.33 0.34 2.55 3.84 -1.26 -5.04 114.94 115.24 1m5v s ASN 9 Ca 0.61 -1.01 0.04 0.00 0.21 0.00 0.00 52.86 52.71 1m5v s ASN 9 Cb -0.47 0.28 0.63 0.00 -0.55 0.00 0.00 41.25 41.14 1m5v s ASN 9 CO 0.58 -0.69 1.90 0.45 -2.79 0.00 0.00 177.10 176.55 1m5v h HIS 10 N 2.94 0.56 -2.76 0.43 3.86 -1.89 -3.43 115.15 114.85 1m5v h HIS 10 Ca -0.34 -0.04 -0.65 0.00 -1.16 0.00 0.00 60.37 58.18 1m5v h HIS 10 Cb 1.18 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 29.42 1m5v h HIS 10 CO 0.47 0.52 -0.45 0.99 0.86 0.00 0.00 177.93 180.31 1m5v s THR 11 N -5.06 5.42 0.02 2.45 2.01 -1.26 -1.58 115.64 117.64 1m5v s THR 11 Ca -0.08 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1m5v s THR 11 Cb 0.16 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1m5v s THR 11 CO 0.76 0.48 -0.04 0.27 -0.69 0.00 0.00 174.62 175.40 1m5v s ILE 12 N -1.18 3.83 -0.20 1.82 -4.36 -0.36 -1.66 121.20 119.10 1m5v s ILE 12 Ca 0.22 -0.78 -0.06 0.00 -0.26 0.00 0.00 60.65 59.77 1m5v s ILE 12 Cb -0.13 -2.70 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 1m5v s ILE 12 CO 0.11 0.34 0.03 -0.47 0.24 0.00 0.00 174.94 175.19 1m5v s TYR 13 N -1.07 3.11 -0.09 1.37 6.14 0.43 -2.28 117.35 124.95 1m5v s TYR 13 Ca 0.19 -0.26 0.04 0.00 0.64 0.00 0.00 57.07 57.67 1m5v s TYR 13 Cb -0.11 -2.09 0.00 0.00 0.42 0.00 0.00 41.96 40.17 1m5v s TYR 13 CO 0.10 -0.12 -0.22 0.42 0.64 0.00 0.00 175.55 176.37 1m5v s ILE 14 N 0.84 1.91 0.28 3.14 1.01 -0.55 -0.90 121.20 126.93 1m5v s ILE 14 Ca 0.02 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.79 1m5v s ILE 14 Cb -0.14 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 1m5v s ILE 14 CO 0.02 0.53 0.18 -0.46 0.00 0.00 0.00 174.94 175.21 1m5v n ASN 15 N 3.58 0.08 -1.02 3.58 2.04 -0.30 -0.79 115.26 122.43 1m5v n ASN 15 Ca -0.20 -2.69 -0.09 0.00 -0.44 0.00 0.00 54.58 51.16 1m5v n ASN 15 Cb 0.53 1.11 -0.00 0.00 -2.53 0.00 0.00 39.78 38.89 1m5v n ASN 15 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1m5v n ASN 16 N -1.86 -3.13 -4.86 0.53 5.15 -0.98 -1.83 115.26 108.28 1m5v n ASN 16 Ca 0.02 -0.01 -0.32 0.00 -0.60 0.00 0.00 54.58 53.68 1m5v n ASN 16 Cb 0.47 -2.41 -0.05 0.00 -0.53 0.00 0.00 39.78 37.26 1m5v n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1m5v s LEU 17 N -2.58 3.95 -0.11 1.20 1.43 -0.86 -4.60 118.68 117.10 1m5v s LEU 17 Ca 0.00 1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.08 1m5v s LEU 17 Cb 0.00 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 1m5v s LEU 17 CO 0.00 -0.31 1.63 0.21 0.23 0.00 0.00 176.35 178.12 1m5v s ASN 18 N -2.62 6.57 0.00 2.29 3.84 -1.26 -4.54 114.94 119.22 1m5v s ASN 18 Ca 0.54 2.01 0.21 0.00 0.21 0.00 0.00 52.86 55.83 1m5v s ASN 18 Cb -0.10 -2.53 0.94 0.00 -0.55 0.00 0.00 41.25 39.01 1m5v s ASN 18 CO 0.23 -1.04 1.67 -0.62 -2.79 0.00 0.00 177.10 174.55 1m5v n GLU 19 N 7.30 0.08 0.00 0.43 1.02 -1.26 -3.36 120.64 124.86 1m5v n GLU 19 Ca 0.18 0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 1m5v n GLU 19 Cb 0.44 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.62 1m5v n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1m5v n LYS 20 N -1.44 0.01 -2.85 3.49 5.02 -1.26 -4.89 118.16 116.24 1m5v n LYS 20 Ca 0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.95 1m5v n LYS 20 Cb 0.22 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1m5v n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m5v s ILE 21 N -3.01 4.54 0.59 -0.18 1.09 -1.21 -5.02 121.20 118.01 1m5v s ILE 21 Ca 0.11 1.87 -0.19 0.00 -1.10 0.00 0.00 60.65 61.34 1m5v s ILE 21 Cb 0.17 -4.23 -0.03 0.00 -1.06 0.00 0.00 42.46 37.31 1m5v s ILE 21 CO 0.69 0.37 1.27 -0.54 -0.10 0.00 0.00 174.94 176.63 1m5v s LYS 22 N -0.22 2.92 0.14 2.79 3.01 -1.26 -4.74 119.74 122.38 1m5v s LYS 22 Ca 0.42 1.99 -0.31 0.00 -1.01 0.00 0.00 55.97 57.06 1m5v s LYS 22 Cb -0.22 -2.00 -0.08 0.00 -1.01 0.00 0.00 37.83 34.52 1m5v s LYS 22 CO 0.27 -1.29 1.55 -0.22 0.51 0.00 0.00 175.35 176.17 1m5v h LYS 23 N 0.97 -0.31 -0.81 1.68 3.64 -1.96 0.24 116.57 120.02 1m5v h LYS 23 Ca -0.51 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1m5v h LYS 23 Cb 1.31 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 1m5v h LYS 23 CO 0.55 -0.21 0.47 -0.44 -2.27 0.00 0.00 179.45 177.56 1m5v h ASP 24 N -0.32 0.97 -0.23 4.20 3.32 -1.98 0.17 116.42 122.55 1m5v h ASP 24 Ca 0.10 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1m5v h ASP 24 Cb 0.57 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1m5v h ASP 24 CO -0.65 0.75 0.12 -0.33 -1.72 0.00 0.00 179.24 177.41 1m5v h GLU 25 N 1.11 0.32 -0.48 3.56 4.39 -1.74 -0.90 114.58 120.85 1m5v h GLU 25 Ca 0.29 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1m5v h GLU 25 Cb -0.03 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1m5v h GLU 25 CO -0.05 0.32 0.26 1.25 -1.16 0.00 0.00 179.01 179.63 1m5v h LEU 26 N 0.25 0.59 -0.13 1.33 5.85 0.28 -1.74 115.31 121.74 1m5v h LEU 26 Ca 0.08 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1m5v h LEU 26 Cb 0.10 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1m5v h LEU 26 CO -0.01 0.51 0.04 0.11 -0.34 0.00 0.00 178.44 178.75 1m5v h LYS 27 N 0.63 0.21 -0.28 1.25 1.57 -0.58 -2.03 116.57 117.34 1m5v h LYS 27 Ca 0.17 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1m5v h LYS 27 Cb 0.05 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1m5v h LYS 27 CO -0.03 0.35 0.03 -0.22 -0.57 0.00 0.00 179.45 179.01 1m5v h LYS 28 N 0.03 0.12 -0.75 3.15 3.64 -1.04 -1.74 116.57 119.98 1m5v h LYS 28 Ca 0.04 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1m5v h LYS 28 Cb 0.23 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1m5v h LYS 28 CO -0.00 0.08 0.30 0.77 -2.27 0.00 0.00 179.45 178.33 1m5v h SER 29 N 0.12 1.04 -0.53 4.20 0.02 -1.30 -2.10 113.55 115.01 1m5v h SER 29 Ca 0.13 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1m5v h SER 29 Cb 0.16 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1m5v h SER 29 CO -0.20 0.93 0.33 -0.07 -1.14 0.00 0.00 176.83 176.68 1m5v h LEU 30 N 1.09 0.56 -0.40 5.07 3.38 -0.91 -0.84 115.31 123.26 1m5v h LEU 30 Ca 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1m5v h LEU 30 Cb 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1m5v h LEU 30 CO -0.02 0.40 0.22 -0.74 0.09 0.00 0.00 178.44 178.39 1m5v h HIS 31 N 0.67 0.54 -0.67 1.13 2.76 -1.14 0.22 115.15 118.66 1m5v h HIS 31 Ca 0.20 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1m5v h HIS 31 Cb -0.03 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 1m5v h HIS 31 CO -0.05 0.41 0.40 0.00 -1.30 0.00 0.00 177.93 177.39 1m5v h ALA 32 N 1.08 1.45 0.07 5.26 0.00 -1.04 0.44 119.26 126.52 1m5v h ALA 32 Ca 0.14 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 1m5v h ALA 32 Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1m5v h ALA 32 CO -0.02 0.48 -1.14 0.82 0.00 0.00 0.00 179.25 179.39 1m5v h ILE 33 N 0.92 1.60 0.00 0.00 5.03 -0.75 -3.39 117.51 120.91 1m5v h ILE 33 Ca 0.24 -3.23 0.00 0.00 -0.12 0.00 0.00 64.86 61.75 1m5v h ILE 33 Cb -0.03 2.90 0.00 0.00 -3.03 0.00 0.00 36.82 36.66 1m5v h ILE 33 CO -0.04 0.93 -1.66 0.49 -0.68 0.00 0.00 178.15 177.19 1m5v n PHE 34 N -3.45 0.00 0.22 1.37 3.72 0.73 -4.61 117.46 115.44 1m5v n PHE 34 Ca -0.05 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.53 1m5v n PHE 34 Cb 0.99 -0.34 0.79 0.00 -0.94 0.00 0.00 39.48 39.97 1m5v n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1m5v h SER 35 N 0.00 0.00 0.54 4.37 4.64 -1.12 -2.17 113.55 119.81 1m5v h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m5v h SER 35 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1m5v h SER 35 CO 0.00 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.04 1m5v h ARG 36 N 0.00 0.00 0.00 4.77 0.11 -1.84 -2.78 114.38 114.64 1m5v h ARG 36 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1m5v h ARG 36 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 1m5v h ARG 36 CO -0.00 0.00 -0.43 0.74 0.10 0.00 0.00 179.97 180.38 1m5v h PHE 37 N 0.00 0.00 0.00 4.08 0.04 -1.74 -3.49 116.94 115.83 1m5v h PHE 37 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1m5v h PHE 37 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1m5v h PHE 37 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1m5v n GLY 38 N 1.18 2.19 3.73 -1.45 0.00 -1.05 -4.57 105.19 105.23 1m5v n GLY 38 Ca 0.03 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1m5v n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1m5v n GLN 39 N -1.33 2.47 -4.10 1.61 7.27 -1.26 -4.70 117.38 117.33 1m5v n GLN 39 Ca 0.00 0.87 -0.35 0.00 0.07 0.00 0.00 57.00 57.59 1m5v n GLN 39 Cb 0.00 -2.57 -0.13 0.00 2.41 0.00 0.00 30.24 29.96 1m5v n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1m5v s ILE 40 N -0.68 3.87 0.09 1.69 1.01 -1.26 -1.77 121.20 124.14 1m5v s ILE 40 Ca 0.58 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.95 1m5v s ILE 40 Cb -0.53 -2.74 -0.23 0.00 0.01 0.00 0.00 42.46 38.98 1m5v s ILE 40 CO 0.58 0.43 1.17 -0.07 0.00 0.00 0.00 174.94 177.05 1m5v h LEU 41 N 7.48 0.08 -7.19 2.97 3.38 -1.09 -3.48 115.31 117.47 1m5v h LEU 41 Ca -0.36 -0.09 0.25 0.00 0.09 0.00 0.00 57.88 57.77 1m5v h LEU 41 Cb 1.18 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 1m5v h LEU 41 CO 0.61 1.07 0.72 -0.62 0.09 0.00 0.00 178.44 180.31 1m5v s ASP 42 N -6.71 -0.15 -0.07 -0.43 -1.08 -1.20 -5.02 116.67 102.01 1m5v s ASP 42 Ca -0.01 -0.11 -0.03 0.00 -0.52 0.00 0.00 52.55 51.88 1m5v s ASP 42 Cb 0.09 0.24 0.04 0.00 -1.46 0.00 0.00 42.92 41.83 1m5v s ASP 42 CO 0.83 -0.42 0.08 -0.63 0.52 0.00 0.00 175.17 175.56 1m5v s ILE 43 N -2.66 -0.14 -0.20 4.11 1.01 -1.26 -0.85 121.20 121.21 1m5v s ILE 43 Ca 0.11 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 1m5v s ILE 43 Cb 0.01 -0.25 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 1m5v s ILE 43 CO -0.04 0.10 0.12 -0.76 0.00 0.00 0.00 174.94 174.36 1m5v s LEU 44 N 2.19 4.13 -0.06 2.97 2.01 0.18 -4.93 118.68 125.17 1m5v s LEU 44 Ca 0.04 0.18 -0.03 0.00 0.01 0.00 0.00 54.13 54.34 1m5v s LEU 44 Cb -0.13 -2.07 0.03 0.00 0.01 0.00 0.00 46.19 44.03 1m5v s LEU 44 CO -0.05 0.16 0.13 -0.69 1.01 0.00 0.00 176.35 176.91 1m5v s VAL 45 N 0.49 -0.04 0.01 -1.59 1.01 -1.26 -1.27 120.40 117.74 1m5v s VAL 45 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1m5v s VAL 45 Cb -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1m5v s VAL 45 CO -0.00 0.06 -0.02 -0.55 0.00 0.00 0.00 175.10 174.59 1m5v s SER 46 N 0.99 0.17 -0.23 3.32 0.15 -1.26 -5.04 113.70 111.81 1m5v s SER 46 Ca -0.08 -0.13 0.14 0.00 0.70 0.00 0.00 55.95 56.58 1m5v s SER 46 Cb -0.10 0.01 0.71 0.00 -1.71 0.00 0.00 66.02 64.93 1m5v s SER 46 CO -0.05 -0.06 1.64 0.54 1.20 0.00 0.00 173.24 176.52 1m5v n ARG 47 N 2.71 4.05 -1.19 5.44 1.74 -1.26 -3.00 116.66 125.15 1m5v n ARG 47 Ca -0.15 -3.05 -0.30 0.00 -0.77 0.00 0.00 57.85 53.58 1m5v n ARG 47 Cb 0.59 -2.11 0.14 0.00 -1.02 0.00 0.00 32.46 30.05 1m5v n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1m5v s SER 48 N -1.25 3.49 0.19 0.55 1.04 -1.26 -4.53 113.70 111.93 1m5v s SER 48 Ca 0.50 1.52 -0.23 0.00 0.48 0.00 0.00 55.95 58.22 1m5v s SER 48 Cb 0.39 -2.20 0.11 0.00 0.10 0.00 0.00 66.02 64.43 1m5v s SER 48 CO 0.13 -2.63 1.56 0.25 0.98 0.00 0.00 173.24 173.53 1m5v h LEU 49 N -1.54 -1.53 -0.62 2.42 5.85 -1.97 0.44 115.31 118.36 1m5v h LEU 49 Ca -0.49 0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 1m5v h LEU 49 Cb 1.28 0.74 -0.01 0.00 0.37 0.00 0.00 40.66 43.04 1m5v h LEU 49 CO 0.54 -0.30 -0.37 0.11 -0.34 0.00 0.00 178.44 178.08 1m5v h LYS 50 N -0.10 0.00 -0.01 1.25 1.79 -1.97 -3.34 116.57 114.19 1m5v h LYS 50 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1m5v h LYS 50 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1m5v h LYS 50 CO -0.84 0.37 -0.31 -1.33 -1.08 0.00 0.00 179.45 176.27 1m5v n MET 51 N -3.37 2.12 -1.92 3.15 2.81 -0.88 -5.02 117.12 114.01 1m5v n MET 51 Ca 0.01 -0.57 -0.37 0.00 -1.81 0.00 0.00 57.70 54.96 1m5v n MET 51 Cb 0.57 -1.14 0.04 0.00 -0.71 0.00 0.00 33.22 31.98 1m5v n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1m5v s ARG 52 N -1.66 3.01 -0.03 0.03 1.70 0.09 -2.80 118.95 119.29 1m5v s ARG 52 Ca 0.09 1.98 0.00 0.00 -0.47 0.00 0.00 55.73 57.34 1m5v s ARG 52 Cb 0.10 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.43 1m5v s ARG 52 CO 0.34 -1.22 0.00 0.41 -1.08 0.00 0.00 175.30 173.75 1m5v n GLY 53 N 0.65 0.47 3.12 3.88 0.00 -1.26 -5.00 105.19 107.05 1m5v n GLY 53 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1m5v n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m5v s GLN 54 N -0.47 0.73 -0.07 1.61 -0.21 -1.12 -2.04 119.66 118.08 1m5v s GLN 54 Ca 0.00 -1.29 -0.25 0.00 0.02 0.00 0.00 55.36 53.84 1m5v s GLN 54 Cb 0.00 0.08 0.06 0.00 1.00 0.00 0.00 33.01 34.15 1m5v s GLN 54 CO 0.00 -0.10 0.57 0.00 -2.12 0.00 0.00 175.29 173.63 1m5v s ALA 55 N -3.85 -1.45 -0.17 6.09 0.00 0.03 -4.44 121.76 117.98 1m5v s ALA 55 Ca 0.11 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.16 1m5v s ALA 55 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1m5v s ALA 55 CO -0.07 -0.32 -0.07 -0.06 0.00 0.00 0.00 175.76 175.24 1m5v s PHE 56 N -0.96 2.93 -0.19 0.00 0.40 -0.40 -1.48 117.98 118.29 1m5v s PHE 56 Ca -0.10 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.62 1m5v s PHE 56 Cb -0.02 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.54 1m5v s PHE 56 CO 0.07 -0.25 -0.12 0.08 0.70 0.00 0.00 175.22 175.71 1m5v s VAL 57 N 0.70 2.85 -0.26 -0.44 1.01 -0.96 0.51 120.40 123.80 1m5v s VAL 57 Ca -0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1m5v s VAL 57 Cb -0.15 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 1m5v s VAL 57 CO 0.02 0.48 0.05 -0.63 0.00 0.00 0.00 175.10 175.03 1m5v s ILE 58 N 1.19 4.00 0.29 2.22 1.01 -0.03 -1.22 121.20 128.65 1m5v s ILE 58 Ca 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 1m5v s ILE 58 Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 1m5v s ILE 58 CO -0.04 0.25 0.52 -0.36 0.00 0.00 0.00 174.94 175.30 1m5v s PHE 59 N 1.54 3.49 0.22 3.97 0.08 -0.61 -0.50 117.98 126.17 1m5v s PHE 59 Ca 0.05 0.49 0.01 0.00 0.12 0.00 0.00 56.93 57.60 1m5v s PHE 59 Cb -0.16 -1.99 0.21 0.00 -0.57 0.00 0.00 43.02 40.52 1m5v s PHE 59 CO 0.02 0.20 1.56 -0.22 -0.10 0.00 0.00 175.22 176.67 1m5v h LYS 60 N 1.47 0.40 -6.63 0.44 3.64 -1.65 -3.44 116.57 110.80 1m5v h LYS 60 Ca -0.48 -0.25 -0.69 0.00 -1.27 0.00 0.00 60.65 57.96 1m5v h LYS 60 Cb 1.20 0.03 -0.28 0.00 -0.41 0.00 0.00 32.23 32.76 1m5v h LYS 60 CO 0.65 0.84 -0.88 -1.21 -2.27 0.00 0.00 179.45 176.58 1m5v s GLU 61 N -3.95 1.92 0.20 1.90 0.41 -1.26 -5.05 118.70 112.87 1m5v s GLU 61 Ca -0.06 -1.01 -0.09 0.00 -0.41 0.00 0.00 54.97 53.40 1m5v s GLU 61 Cb 0.12 -1.97 0.14 0.00 -1.78 0.00 0.00 34.13 30.63 1m5v s GLU 61 CO 0.81 0.53 1.79 0.28 -0.49 0.00 0.00 175.26 178.18 1m5v h VAL 62 N 4.37 1.24 -0.25 2.63 2.07 -1.87 -2.06 116.25 122.38 1m5v h VAL 62 Ca -0.44 -0.69 0.07 0.00 0.82 0.00 0.00 66.70 66.46 1m5v h VAL 62 Cb 1.13 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1m5v h VAL 62 CO 0.45 0.29 0.19 0.77 0.02 0.00 0.00 177.57 179.29 1m5v h SER 63 N 1.04 0.00 -0.24 0.57 4.64 -1.96 0.12 113.55 117.71 1m5v h SER 63 Ca 0.25 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.38 1m5v h SER 63 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1m5v h SER 63 CO -0.03 0.00 -0.58 0.28 -0.87 0.00 0.00 176.83 175.63 1m5v h SER 64 N 0.00 0.94 -0.49 4.97 0.02 -1.62 -1.88 113.55 115.49 1m5v h SER 64 Ca 0.12 -0.52 -0.13 0.00 -0.84 0.00 0.00 61.79 60.41 1m5v h SER 64 Cb 0.50 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1m5v h SER 64 CO -0.00 1.32 -0.21 0.00 -1.14 0.00 0.00 176.83 176.80 1m5v h ALA 65 N 0.69 0.70 -0.68 3.77 0.00 -0.66 -1.85 119.26 121.23 1m5v h ALA 65 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1m5v h ALA 65 Cb 1.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1m5v h ALA 65 CO 0.13 0.68 0.21 1.15 0.00 0.00 0.00 179.25 181.41 1m5v h THR 66 N 0.87 1.25 -0.33 0.00 2.02 -1.13 -0.40 112.91 115.19 1m5v h THR 66 Ca 0.11 -0.87 -0.13 0.00 0.77 0.00 0.00 66.41 66.29 1m5v h THR 66 Cb 0.79 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1m5v h THR 66 CO 0.07 0.34 -0.32 0.78 0.37 0.00 0.00 175.52 176.75 1m5v h ASN 67 N 1.01 0.76 0.17 4.18 2.35 -1.14 -2.46 115.58 120.46 1m5v h ASN 67 Ca 0.22 -0.31 -0.14 0.00 -0.55 0.00 0.00 56.30 55.52 1m5v h ASN 67 Cb 0.30 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1m5v h ASN 67 CO -0.01 1.03 -0.50 0.00 -1.65 0.00 0.00 177.43 176.30 1m5v h ALA 68 N 1.02 0.88 -0.00 -0.83 0.00 -1.06 -1.96 119.26 117.30 1m5v h ALA 68 Ca 0.07 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1m5v h ALA 68 Cb 0.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1m5v h ALA 68 CO 0.07 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.24 1m5v h LEU 69 N 0.30 0.00 -0.70 0.00 5.85 -0.86 -1.23 115.31 118.67 1m5v h LEU 69 Ca 0.01 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 1m5v h LEU 69 Cb 0.99 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1m5v h LEU 69 CO 0.09 0.20 -0.41 0.03 -0.34 0.00 0.00 178.44 178.01 1m5v h ARG 70 N -0.19 0.52 0.00 1.25 3.08 -1.46 -3.00 114.38 114.57 1m5v h ARG 70 Ca 0.00 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1m5v h ARG 70 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1m5v h ARG 70 CO -0.00 0.84 -0.69 0.77 -1.07 0.00 0.00 179.97 179.82 1m5v h SER 71 N 0.43 0.00 -0.10 7.04 0.02 -1.36 -3.37 113.55 116.21 1m5v h SER 71 Ca 0.04 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1m5v h SER 71 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1m5v h SER 71 CO 0.08 0.07 0.00 0.23 -1.14 0.00 0.00 176.83 176.07 1m5v n MET 72 N -2.33 2.32 -1.70 3.45 2.81 -0.47 -4.94 117.12 116.27 1m5v n MET 72 Ca 0.02 -1.51 -0.43 0.00 -1.81 0.00 0.00 57.70 53.98 1m5v n MET 72 Cb 0.48 -1.09 -0.03 0.00 -0.71 0.00 0.00 33.22 31.87 1m5v n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1m5v n GLN 73 N -0.09 2.73 0.00 0.03 -0.06 -1.14 -1.80 117.38 117.05 1m5v n GLN 73 Ca 0.04 0.99 0.00 0.00 -2.00 0.00 0.00 57.00 56.02 1m5v n GLN 73 Cb 0.27 -2.85 0.00 0.00 -4.06 0.00 0.00 30.24 23.60 1m5v n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1m5v n GLY 74 N 4.06 2.75 3.59 1.69 0.00 -0.57 -4.99 105.19 111.72 1m5v n GLY 74 Ca 0.17 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.63 1m5v n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1m5v n PHE 75 N -2.00 1.35 -1.86 1.61 7.35 -0.75 -3.94 117.46 119.22 1m5v n PHE 75 Ca 0.00 0.78 -0.42 0.00 -0.76 0.00 0.00 57.45 57.05 1m5v n PHE 75 Cb 0.00 -2.27 -0.03 0.00 0.35 0.00 0.00 39.48 37.53 1m5v n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1m5v s PRO 76 N 0.95 4.18 -0.19 -7.13 0.02 -1.26 -2.20 135.00 129.37 1m5v s PRO 76 Ca 0.90 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 64.32 1m5v s PRO 76 Cb -1.10 -3.26 0.09 0.00 0.02 0.00 0.00 34.50 30.24 1m5v s PRO 76 CO 0.55 -0.69 0.23 0.12 -0.33 0.00 0.00 177.00 176.88 1m5v s PHE 77 N 1.60 -0.32 -1.60 6.54 5.36 -0.13 -4.86 117.98 124.56 1m5v s PHE 77 Ca 0.73 0.36 -0.15 0.00 -0.96 0.00 0.00 56.93 56.91 1m5v s PHE 77 Cb -0.45 -0.30 0.11 0.00 -0.34 0.00 0.00 43.02 42.05 1m5v s PHE 77 CO 0.32 -0.57 0.87 0.66 -1.46 0.00 0.00 175.22 175.04 1m5v n TYR 78 N 5.33 -2.01 -1.02 10.12 4.01 -1.26 -1.85 117.16 130.47 1m5v n TYR 78 Ca -0.05 0.85 -0.01 0.00 -0.16 0.00 0.00 57.90 58.53 1m5v n TYR 78 Cb 0.50 -3.50 -0.00 0.00 -0.31 0.00 0.00 39.34 36.02 1m5v n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1m5v n ASP 79 N -2.76 -3.26 -3.88 7.72 8.00 -1.26 -4.80 116.55 116.30 1m5v n ASP 79 Ca 0.04 0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 1m5v n ASP 79 Cb 0.52 -0.83 -0.14 0.00 -0.02 0.00 0.00 41.12 40.65 1m5v n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1m5v s LYS 80 N -0.93 0.12 0.07 -1.24 1.02 -0.77 -5.10 119.74 112.91 1m5v s LYS 80 Ca 0.00 -0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 1m5v s LYS 80 Cb 0.00 -0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.12 1m5v s LYS 80 CO 0.00 0.01 0.97 -1.25 -0.92 0.00 0.00 175.35 174.16 1m5v s PRO 81 N 0.10 4.65 0.24 -1.68 0.04 -1.26 -0.95 135.00 136.12 1m5v s PRO 81 Ca -0.01 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.23 1m5v s PRO 81 Cb -0.02 -3.40 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1m5v s PRO 81 CO -0.00 0.11 0.84 0.00 0.04 0.00 0.00 177.00 177.99 1m5v s MET 82 N 0.36 4.54 -0.19 4.56 0.23 -0.93 -4.87 119.30 123.01 1m5v s MET 82 Ca 0.49 1.19 -0.08 0.00 -1.03 0.00 0.00 55.69 56.26 1m5v s MET 82 Cb -0.23 -3.04 -0.04 0.00 -1.53 0.00 0.00 34.83 29.99 1m5v s MET 82 CO 0.29 0.44 0.07 0.50 -2.03 0.00 0.00 175.02 174.29 1m5v s ARG 83 N -1.62 3.98 -0.04 3.16 3.52 -0.76 -1.51 118.95 125.69 1m5v s ARG 83 Ca 0.42 -0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.74 1m5v s ARG 83 Cb -0.21 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1m5v s ARG 83 CO 0.25 0.26 -0.20 0.42 -0.81 0.00 0.00 175.30 175.22 1m5v s ILE 84 N 0.41 1.62 0.13 4.11 1.01 -1.26 -1.15 121.20 126.08 1m5v s ILE 84 Ca 0.03 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.79 1m5v s ILE 84 Cb -0.12 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1m5v s ILE 84 CO 0.00 0.46 0.17 -1.10 0.00 0.00 0.00 174.94 174.47 1m5v s GLN 85 N -0.12 0.98 0.48 2.79 -0.21 -0.08 -4.97 119.66 118.53 1m5v s GLN 85 Ca -0.01 -1.23 -0.20 0.00 0.02 0.00 0.00 55.36 53.94 1m5v s GLN 85 Cb -0.11 0.31 -0.09 0.00 1.00 0.00 0.00 33.01 34.12 1m5v s GLN 85 CO 0.02 -0.32 1.01 0.71 -2.12 0.00 0.00 175.29 174.59 1m5v s TYR 86 N -3.97 3.14 0.51 0.91 2.02 -1.26 0.16 117.35 118.86 1m5v s TYR 86 Ca 0.16 1.57 -0.21 0.00 -0.37 0.00 0.00 57.07 58.22 1m5v s TYR 86 Cb 0.05 -2.97 -0.06 0.00 -0.40 0.00 0.00 41.96 38.59 1m5v s TYR 86 CO -0.02 -0.60 1.20 0.00 -1.57 0.00 0.00 175.55 174.56 1m5v s ALA 87 N -2.16 2.83 0.34 3.71 0.00 -0.66 -4.52 121.76 121.30 1m5v s ALA 87 Ca 0.64 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.66 1m5v s ALA 87 Cb -0.13 -3.42 0.63 0.00 0.00 0.00 0.00 23.12 20.19 1m5v s ALA 87 CO 0.21 -0.89 1.85 0.87 0.00 0.00 0.00 175.76 177.80 1m5v h LYS 88 N 1.60 0.38 -4.64 0.00 1.57 -1.93 -3.45 116.57 110.10 1m5v h LYS 88 Ca -0.50 -0.10 -0.25 0.00 -1.87 0.00 0.00 60.65 57.93 1m5v h LYS 88 Cb 1.27 -0.05 -0.18 0.00 0.08 0.00 0.00 32.23 33.36 1m5v h LYS 88 CO 0.58 0.51 -0.71 0.95 -0.57 0.00 0.00 179.45 180.21 1m5v s THR 89 N -4.73 0.65 0.33 -0.16 -4.23 -1.26 -4.97 115.64 101.26 1m5v s THR 89 Ca -0.06 -1.57 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 1m5v s THR 89 Cb 0.15 -1.23 -0.13 0.00 1.34 0.00 0.00 72.50 72.64 1m5v s THR 89 CO 0.76 -0.65 1.29 0.47 -0.54 0.00 0.00 174.62 175.94 1m5v n ASP 90 N 0.61 2.67 -4.79 3.99 8.00 -1.26 -4.96 116.55 120.81 1m5v n ASP 90 Ca -0.17 1.20 -0.34 0.00 0.71 0.00 0.00 54.79 56.19 1m5v n ASP 90 Cb 0.58 -1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.20 1m5v n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1m5v s SER 91 N -0.25 6.08 0.26 -2.24 0.01 -1.26 -4.76 113.70 111.53 1m5v s SER 91 Ca 0.57 2.00 -0.06 0.00 1.31 0.00 0.00 55.95 59.78 1m5v s SER 91 Cb -0.59 -2.56 0.48 0.00 0.21 0.00 0.00 66.02 63.56 1m5v s SER 91 CO 0.60 -0.97 1.62 0.44 0.41 0.00 0.00 173.24 175.35 1m5v h ASP 92 N 1.33 -0.39 -0.02 2.44 3.32 -1.99 -0.53 116.42 120.58 1m5v h ASP 92 Ca -0.49 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1m5v h ASP 92 Cb 1.23 0.38 -0.00 0.00 0.22 0.00 0.00 39.33 41.16 1m5v h ASP 92 CO 0.58 -0.21 0.01 0.16 -1.72 0.00 0.00 179.24 178.06 1m5v h ILE 93 N 0.09 1.02 0.12 0.35 3.07 -1.98 0.26 117.51 120.43 1m5v h ILE 93 Ca 0.44 -0.08 -0.26 0.00 1.55 0.00 0.00 64.86 66.51 1m5v h ILE 93 Cb 0.79 0.99 0.03 0.00 -0.27 0.00 0.00 36.82 38.36 1m5v h ILE 93 CO -0.72 0.03 -1.09 0.40 -1.05 0.00 0.00 178.15 175.72 1m5v h ILE 94 N 0.05 1.35 -0.30 0.16 1.08 -1.50 -3.17 117.51 115.18 1m5v h ILE 94 Ca 0.01 -2.43 -0.05 0.00 -0.39 0.00 0.00 64.86 62.00 1m5v h ILE 94 Cb 0.03 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 36.57 1m5v h ILE 94 CO -0.00 0.73 -0.01 0.00 -0.69 0.00 0.00 178.15 178.18 1m5v h ALA 95 N 0.24 0.40 0.00 1.87 0.00 -0.60 -2.82 119.26 118.35 1m5v h ALA 95 Ca -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1m5v h ALA 95 Cb 1.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1m5v h ALA 95 CO 0.21 0.16 0.00 0.87 0.00 0.00 0.00 179.25 180.49 1m5v h LYS 96 N 0.32 0.00 0.00 0.00 1.79 -0.62 -3.51 116.57 114.55 1m5v h LYS 96 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1m5v h LYS 96 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1m5v h LYS 96 CO 0.02 0.00 0.00 -1.33 -1.08 0.00 0.00 179.45 177.06