#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5v n GLU 5 N 0.00 -0.28 0.00 -0.52 4.07 -1.26 -5.03 120.64 117.62 1m5v n GLU 5 Ca 0.00 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1m5v n GLU 5 Cb 0.00 -3.63 0.00 0.00 -0.06 0.00 0.00 31.44 27.75 1m5v n GLU 5 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1m5v n THR 6 N -3.83 0.00 -4.01 6.31 -2.24 -1.26 -4.85 114.28 104.39 1m5v n THR 6 Ca -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 1m5v n THR 6 Cb 0.52 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1m5v n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m5v s ARG 7 N -3.44 3.08 0.35 -0.78 1.70 -1.26 -4.97 118.95 113.63 1m5v s ARG 7 Ca 0.00 -0.65 -0.25 0.00 -0.47 0.00 0.00 55.73 54.36 1m5v s ARG 7 Cb 0.00 -2.82 -0.13 0.00 -0.57 0.00 0.00 34.95 31.43 1m5v s ARG 7 CO 0.00 0.56 0.82 -2.30 -1.08 0.00 0.00 175.30 173.30 1m5v n PRO 8 N 0.20 0.97 -3.82 3.89 -0.02 -1.26 -4.79 135.00 130.17 1m5v n PRO 8 Ca -0.07 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 1m5v n PRO 8 Cb 0.52 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.23 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 -0.76 0.01 0.30 2.55 3.84 -1.26 -5.03 114.94 114.59 1m5v s ASN 9 Ca 0.62 -0.40 -0.01 0.00 0.21 0.00 0.00 52.86 53.27 1m5v s ASN 9 Cb -0.66 0.33 0.46 0.00 -0.55 0.00 0.00 41.25 40.82 1m5v s ASN 9 CO 0.58 -0.63 1.92 0.45 -2.79 0.00 0.00 177.10 176.63 1m5v h HIS 10 N 3.15 0.94 -2.96 0.43 3.86 -1.89 -3.43 115.15 115.25 1m5v h HIS 10 Ca -0.33 -0.02 -0.63 0.00 -1.16 0.00 0.00 60.37 58.24 1m5v h HIS 10 Cb 1.20 -0.30 -0.08 0.00 1.06 0.00 0.00 27.41 29.29 1m5v h HIS 10 CO 0.46 0.66 -0.38 0.99 0.86 0.00 0.00 177.93 180.52 1m5v s THR 11 N -5.64 5.34 -0.07 2.45 2.01 -1.26 -1.55 115.64 116.91 1m5v s THR 11 Ca -0.11 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 1m5v s THR 11 Cb 0.17 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1m5v s THR 11 CO 0.79 0.53 0.01 0.27 -0.69 0.00 0.00 174.62 175.53 1m5v s ILE 12 N -0.51 4.34 -0.25 1.82 -4.36 -0.91 -0.89 121.20 120.45 1m5v s ILE 12 Ca 0.17 -0.28 -0.11 0.00 -0.26 0.00 0.00 60.65 60.17 1m5v s ILE 12 Cb -0.13 -2.85 -0.05 0.00 1.25 0.00 0.00 42.46 40.68 1m5v s ILE 12 CO 0.05 0.57 0.16 -0.47 0.24 0.00 0.00 174.94 175.50 1m5v s TYR 13 N -0.92 3.30 -0.10 1.37 6.14 0.31 -2.35 117.35 125.09 1m5v s TYR 13 Ca 0.14 0.20 0.03 0.00 0.64 0.00 0.00 57.07 58.08 1m5v s TYR 13 Cb -0.11 -2.29 -0.01 0.00 0.42 0.00 0.00 41.96 39.97 1m5v s TYR 13 CO 0.04 0.02 -0.19 0.42 0.64 0.00 0.00 175.55 176.47 1m5v s ILE 14 N 1.18 2.49 0.24 3.14 1.01 -0.35 -1.29 121.20 127.62 1m5v s ILE 14 Ca 0.07 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1m5v s ILE 14 Cb -0.14 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1m5v s ILE 14 CO 0.06 0.55 0.16 -0.46 0.00 0.00 0.00 174.94 175.25 1m5v n ASN 15 N 3.37 0.02 -2.18 3.58 2.04 0.45 -1.58 115.26 120.96 1m5v n ASN 15 Ca -0.18 -2.47 -0.14 0.00 -0.44 0.00 0.00 54.58 51.35 1m5v n ASN 15 Cb 0.53 0.99 0.04 0.00 -2.53 0.00 0.00 39.78 38.81 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 -1.99 -4.48 -4.89 0.53 5.15 -1.08 -1.48 115.26 107.01 1m5v n ASN 16 Ca 0.02 -0.27 -0.30 0.00 -0.60 0.00 0.00 54.58 53.43 1m5v n ASN 16 Cb 0.41 -3.15 -0.04 0.00 -0.53 0.00 0.00 39.78 36.47 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 -4.52 4.08 -0.33 1.20 1.43 -0.92 -4.62 118.68 114.99 1m5v s LEU 17 Ca 0.29 0.83 -0.28 0.00 -1.03 0.00 0.00 54.13 53.94 1m5v s LEU 17 Cb -0.13 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1m5v s LEU 17 CO 0.36 -0.17 1.94 0.21 0.23 0.00 0.00 176.35 178.93 1m5v s ASN 18 N -2.85 5.67 0.00 2.29 3.84 -1.26 -4.60 114.94 118.03 1m5v s ASN 18 Ca 0.46 1.38 0.07 0.00 0.21 0.00 0.00 52.86 54.97 1m5v s ASN 18 Cb -0.11 -2.52 0.30 0.00 -0.55 0.00 0.00 41.25 38.37 1m5v s ASN 18 CO 0.27 -1.87 1.16 -0.62 -2.79 0.00 0.00 177.10 173.24 1m5v n GLU 19 N 8.59 0.03 0.02 0.43 1.02 -1.26 -3.01 120.64 126.47 1m5v n GLU 19 Ca 0.25 0.33 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 1m5v n GLU 19 Cb 0.47 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.42 0.17 -2.23 3.49 5.02 -1.26 -4.89 118.16 117.03 1m5v n LYS 20 Ca 0.02 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1m5v n LYS 20 Cb 0.07 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 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 -3.11 3.78 0.52 -0.18 -1.09 -1.16 -4.97 121.20 114.98 1m5v s ILE 21 Ca 0.07 1.13 -0.21 0.00 -2.23 0.00 0.00 60.65 59.40 1m5v s ILE 21 Cb 0.15 -3.72 -0.07 0.00 -1.58 0.00 0.00 42.46 37.24 1m5v s ILE 21 CO 0.76 -0.02 1.03 0.29 -1.23 0.00 0.00 174.94 175.76 1m5v n LYS 22 N 5.60 1.19 -0.16 2.79 4.76 -1.26 -4.69 118.16 126.38 1m5v n LYS 22 Ca 0.13 0.44 -0.03 0.00 -2.87 0.00 0.00 58.31 55.98 1m5v n LYS 22 Cb 0.44 -2.17 0.04 0.00 -1.84 0.00 0.00 35.03 31.49 1m5v n LYS 22 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1m5v h LYS 23 N 1.03 -0.03 -0.14 1.97 3.64 -1.96 -0.83 116.57 120.25 1m5v h LYS 23 Ca -0.47 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1m5v h LYS 23 Cb 1.35 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1m5v h LYS 23 CO 0.54 -0.02 0.05 -0.44 -2.27 0.00 0.00 179.45 177.31 1m5v h ASP 24 N -0.03 0.06 -0.51 4.20 3.32 -1.98 -1.68 116.42 119.80 1m5v h ASP 24 Ca 0.24 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1m5v h ASP 24 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1m5v h ASP 24 CO -0.54 0.06 0.24 -0.08 -1.72 0.00 0.00 179.24 177.20 1m5v h GLU 25 N 0.12 0.74 -0.47 3.56 4.81 -1.82 -1.70 114.58 119.82 1m5v h GLU 25 Ca 0.06 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1m5v h GLU 25 Cb 0.03 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 1m5v h GLU 25 CO -0.06 0.62 0.17 1.25 -0.73 0.00 0.00 179.01 180.25 1m5v h LEU 26 N 0.68 0.17 -0.65 1.64 5.85 -0.95 0.21 115.31 122.26 1m5v h LEU 26 Ca 0.18 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1m5v h LEU 26 Cb 0.12 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1m5v h LEU 26 CO -0.02 0.13 0.30 0.11 -0.34 0.00 0.00 178.44 178.62 1m5v h LYS 27 N 0.34 0.95 -0.11 1.25 1.57 -1.07 -0.20 116.57 119.32 1m5v h LYS 27 Ca 0.22 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1m5v h LYS 27 Cb 0.22 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1m5v h LYS 27 CO -0.23 0.77 0.05 0.87 -0.57 0.00 0.00 179.45 180.35 1m5v h LYS 28 N 0.91 0.15 -0.30 3.15 6.56 -0.60 -0.82 116.57 125.62 1m5v h LYS 28 Ca 0.22 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.79 1m5v h LYS 28 Cb 0.15 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1m5v h LYS 28 CO -0.02 0.21 0.18 0.77 -2.06 0.00 0.00 179.45 178.53 1m5v h SER 29 N 0.05 0.36 -0.94 0.86 0.02 -0.71 -0.37 113.55 112.82 1m5v h SER 29 Ca 0.04 -0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.03 1m5v h SER 29 Cb 0.11 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 1m5v h SER 29 CO -0.00 0.30 0.59 -0.07 -1.14 0.00 0.00 176.83 176.50 1m5v h LEU 30 N 0.39 0.89 -0.30 5.07 3.38 -0.91 -0.56 115.31 123.27 1m5v h LEU 30 Ca 0.11 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1m5v h LEU 30 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1m5v h LEU 30 CO -0.02 0.52 -0.07 -0.74 0.09 0.00 0.00 178.44 178.23 1m5v h HIS 31 N 1.00 0.64 -0.71 1.13 2.76 -0.54 -1.33 115.15 118.10 1m5v h HIS 31 Ca 0.44 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1m5v h HIS 31 Cb 0.32 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 1m5v h HIS 31 CO -0.02 0.76 0.42 0.00 -1.30 0.00 0.00 177.93 177.79 1m5v h ALA 32 N 0.79 1.42 0.00 5.26 0.00 -0.34 -0.95 119.26 125.43 1m5v h ALA 32 Ca 0.08 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1m5v h ALA 32 Cb 0.55 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1m5v h ALA 32 CO 0.03 0.50 -0.91 0.82 0.00 0.00 0.00 179.25 179.69 1m5v h ILE 33 N 0.97 1.47 0.00 0.00 5.03 -0.99 -3.35 117.51 120.65 1m5v h ILE 33 Ca 0.25 -3.10 0.00 0.00 -0.12 0.00 0.00 64.86 61.90 1m5v h ILE 33 Cb -0.04 2.72 0.00 0.00 -3.03 0.00 0.00 36.82 36.48 1m5v h ILE 33 CO -0.05 0.84 -1.08 0.49 -0.68 0.00 0.00 178.15 177.67 1m5v n PHE 34 N -3.30 0.00 -0.31 1.37 3.72 -0.52 -4.56 117.46 113.87 1m5v n PHE 34 Ca -0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1m5v n PHE 34 Cb 0.89 -0.06 0.28 0.00 -0.94 0.00 0.00 39.48 39.65 1m5v n PHE 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1m5v h SER 35 N 0.00 0.48 -0.01 4.37 0.02 -1.31 -2.48 113.55 114.62 1m5v h SER 35 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1m5v h SER 35 Cb 0.55 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 1m5v h SER 35 CO 0.00 0.13 0.04 0.08 -1.14 0.00 0.00 176.83 175.93 1m5v h ARG 36 N 0.54 0.00 0.00 3.45 0.11 -1.83 -2.79 114.38 113.86 1m5v h ARG 36 Ca 0.53 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.57 1m5v h ARG 36 Cb 0.89 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.96 1m5v h ARG 36 CO -0.44 0.00 -0.35 0.74 0.10 0.00 0.00 179.97 180.02 1m5v h PHE 37 N 0.00 0.00 0.00 4.08 0.04 -1.78 -3.49 116.94 115.79 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 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1m5v h PHE 37 CO 0.00 0.17 0.00 0.41 -0.60 0.00 0.00 178.31 178.29 1m5v n GLY 38 N 1.16 -0.40 3.76 -1.45 0.00 -1.06 -4.58 105.19 102.62 1m5v n GLY 38 Ca 0.02 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 1m5v n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1m5v s GLN 39 N -2.00 4.40 -0.21 1.61 0.74 -1.26 -4.70 119.66 118.24 1m5v s GLN 39 Ca 0.00 2.14 -0.05 0.00 0.05 0.00 0.00 55.36 57.50 1m5v s GLN 39 Cb 0.00 -3.10 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 1m5v s GLN 39 CO 0.00 -0.14 0.00 0.42 -0.55 0.00 0.00 175.29 175.03 1m5v s ILE 40 N -0.99 3.92 -0.13 -2.34 1.01 -1.26 -1.81 121.20 119.59 1m5v s ILE 40 Ca 0.49 -0.32 0.15 0.00 0.00 0.00 0.00 60.65 60.97 1m5v s ILE 40 Cb -0.38 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.31 1m5v s ILE 40 CO 0.49 0.41 1.32 -0.07 0.00 0.00 0.00 174.94 177.10 1m5v h LEU 41 N 7.71 0.00 -7.02 2.97 3.38 -1.20 -3.48 115.31 117.68 1m5v h LEU 41 Ca -0.37 0.00 0.36 0.00 0.09 0.00 0.00 57.88 57.96 1m5v h LEU 41 Cb 1.17 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.75 1m5v h LEU 41 CO 0.60 0.55 0.97 -0.62 0.09 0.00 0.00 178.44 180.03 1m5v s ASP 42 N -6.35 -0.02 -0.03 -0.43 2.15 -1.22 -5.03 116.67 105.74 1m5v s ASP 42 Ca 0.03 -0.01 -0.01 0.00 0.43 0.00 0.00 52.55 52.99 1m5v s ASP 42 Cb 0.08 0.03 0.03 0.00 -0.30 0.00 0.00 42.92 42.75 1m5v s ASP 42 CO 0.76 -0.05 0.03 -0.63 -0.17 0.00 0.00 175.17 175.12 1m5v s ILE 43 N -2.07 -0.01 -0.14 4.11 1.01 -1.26 -1.06 121.20 121.78 1m5v s ILE 43 Ca 0.13 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 1m5v s ILE 43 Cb 0.03 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.32 1m5v s ILE 43 CO -0.04 0.14 -0.10 -0.76 0.00 0.00 0.00 174.94 174.17 1m5v s LEU 44 N 1.47 2.87 -0.08 2.97 1.43 0.25 -4.97 118.68 122.63 1m5v s LEU 44 Ca -0.04 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1m5v s LEU 44 Cb -0.13 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.47 1m5v s LEU 44 CO -0.03 0.16 0.17 -0.69 0.23 0.00 0.00 176.35 176.20 1m5v s VAL 45 N 0.36 -0.05 0.03 -1.59 1.01 -1.26 -1.67 120.40 117.24 1m5v s VAL 45 Ca -0.09 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1m5v s VAL 45 Cb -0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1m5v s VAL 45 CO 0.05 0.07 -0.10 -0.55 0.00 0.00 0.00 175.10 174.57 1m5v s SER 46 N 1.20 1.16 -0.24 3.32 0.15 -1.26 -5.04 113.70 112.98 1m5v s SER 46 Ca -0.09 -0.39 0.14 0.00 0.70 0.00 0.00 55.95 56.31 1m5v s SER 46 Cb -0.11 -0.05 0.70 0.00 -1.71 0.00 0.00 66.02 64.84 1m5v s SER 46 CO -0.07 -0.03 1.64 0.54 1.20 0.00 0.00 173.24 176.52 1m5v n ARG 47 N 2.04 3.91 -1.28 5.44 1.74 -1.26 -2.73 116.66 124.52 1m5v n ARG 47 Ca -0.18 -3.05 -0.29 0.00 -0.77 0.00 0.00 57.85 53.56 1m5v n ARG 47 Cb 0.56 -2.10 0.15 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.30 3.17 0.31 0.55 1.04 -1.26 -4.60 113.70 111.61 1m5v s SER 48 Ca 0.50 1.24 0.08 0.00 0.48 0.00 0.00 55.95 58.26 1m5v s SER 48 Cb 0.40 -1.90 0.88 0.00 0.10 0.00 0.00 66.02 65.50 1m5v s SER 48 CO 0.12 -2.80 1.69 0.25 0.98 0.00 0.00 173.24 173.49 1m5v h LEU 49 N -1.66 0.46 0.00 2.42 5.85 -1.97 -0.96 115.31 119.45 1m5v h LEU 49 Ca -0.52 0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.18 1m5v h LEU 49 Cb 1.31 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 1m5v h LEU 49 CO 0.58 -0.02 -1.55 0.29 -0.34 0.00 0.00 178.44 177.39 1m5v n LYS 50 N -5.02 0.63 0.00 1.25 4.76 -1.26 -4.38 118.16 114.14 1m5v n LYS 50 Ca 0.26 0.18 0.08 0.00 -2.87 0.00 0.00 58.31 55.97 1m5v n LYS 50 Cb 0.78 -1.76 -0.01 0.00 -1.84 0.00 0.00 35.03 32.19 1m5v n LYS 50 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1m5v n MET 51 N -2.85 1.66 -1.91 1.97 2.81 -1.12 -5.00 117.12 112.68 1m5v n MET 51 Ca -0.12 -0.73 -0.37 0.00 -1.81 0.00 0.00 57.70 54.67 1m5v n MET 51 Cb 0.86 -1.29 0.04 0.00 -0.71 0.00 0.00 33.22 32.13 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 -2.00 3.01 0.00 0.03 1.70 -0.38 -2.28 118.95 119.02 1m5v s ARG 52 Ca 0.13 1.99 0.00 0.00 -0.47 0.00 0.00 55.73 57.38 1m5v s ARG 52 Cb 0.13 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.46 1m5v s ARG 52 CO 0.44 -1.22 0.00 0.41 -1.08 0.00 0.00 175.30 173.85 1m5v n GLY 53 N 0.65 0.68 3.24 3.88 0.00 -1.26 -5.00 105.19 107.38 1m5v n GLY 53 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.05 1.11 -0.07 1.61 -0.21 -0.97 -2.17 119.66 118.91 1m5v s GLN 54 Ca 0.00 -1.53 -0.30 0.00 0.02 0.00 0.00 55.36 53.55 1m5v s GLN 54 Cb 0.00 -0.30 0.07 0.00 1.00 0.00 0.00 33.01 33.78 1m5v s GLN 54 CO 0.00 -0.11 0.68 0.00 -2.12 0.00 0.00 175.29 173.73 1m5v s ALA 55 N -3.63 -1.75 -0.18 6.09 0.00 -0.61 -4.49 121.76 117.19 1m5v s ALA 55 Ca 0.23 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1m5v s ALA 55 Cb 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1m5v s ALA 55 CO 0.04 -0.37 -0.16 -0.06 0.00 0.00 0.00 175.76 175.21 1m5v s PHE 56 N -1.08 2.81 -0.34 0.00 0.40 -0.67 -1.21 117.98 117.90 1m5v s PHE 56 Ca -0.10 -1.39 -0.08 0.00 -0.60 0.00 0.00 56.93 54.76 1m5v s PHE 56 Cb -0.00 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.61 1m5v s PHE 56 CO 0.09 -0.69 0.13 0.08 0.70 0.00 0.00 175.22 175.53 1m5v s VAL 57 N 1.22 4.05 -0.32 -0.44 1.01 -0.99 -0.58 120.40 124.35 1m5v s VAL 57 Ca 0.03 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1m5v s VAL 57 Cb -0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1m5v s VAL 57 CO -0.08 -0.13 0.61 -0.63 0.00 0.00 0.00 175.10 174.87 1m5v s ILE 58 N 1.47 4.94 0.19 2.22 1.01 -0.22 -2.14 121.20 128.67 1m5v s ILE 58 Ca 0.00 0.73 -0.05 0.00 0.00 0.00 0.00 60.65 61.34 1m5v s ILE 58 Cb -0.19 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1m5v s ILE 58 CO 0.04 -0.18 0.44 -0.36 0.00 0.00 0.00 174.94 174.87 1m5v s PHE 59 N 2.60 3.47 0.15 3.97 0.08 -0.60 -0.67 117.98 126.99 1m5v s PHE 59 Ca 0.24 0.57 -0.05 0.00 0.12 0.00 0.00 56.93 57.82 1m5v s PHE 59 Cb -0.15 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 1m5v s PHE 59 CO 0.13 0.35 1.39 -0.22 -0.10 0.00 0.00 175.22 176.77 1m5v h LYS 60 N 2.42 0.51 -5.84 0.44 3.64 -1.65 -3.44 116.57 112.65 1m5v h LYS 60 Ca -0.47 -0.43 -0.69 0.00 -1.27 0.00 0.00 60.65 57.80 1m5v h LYS 60 Cb 1.17 0.09 -0.31 0.00 -0.41 0.00 0.00 32.23 32.77 1m5v h LYS 60 CO 0.70 1.06 -0.87 -1.21 -2.27 0.00 0.00 179.45 176.86 1m5v s GLU 61 N -3.64 2.71 0.24 1.90 0.41 -1.26 -5.03 118.70 114.03 1m5v s GLU 61 Ca -0.07 -0.88 -0.05 0.00 -0.41 0.00 0.00 54.97 53.56 1m5v s GLU 61 Cb 0.10 -2.23 0.36 0.00 -1.78 0.00 0.00 34.13 30.58 1m5v s GLU 61 CO 0.86 0.34 1.81 0.28 -0.49 0.00 0.00 175.26 178.06 1m5v h VAL 62 N 5.19 0.91 -0.59 2.63 2.07 -1.87 -0.61 116.25 123.99 1m5v h VAL 62 Ca -0.29 -0.26 0.13 0.00 0.82 0.00 0.00 66.70 67.09 1m5v h VAL 62 Cb 1.19 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1m5v h VAL 62 CO 0.48 0.14 0.41 0.77 0.02 0.00 0.00 177.57 179.38 1m5v h SER 63 N 0.76 0.24 0.04 0.57 4.64 -1.95 0.12 113.55 117.97 1m5v h SER 63 Ca 0.38 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.54 1m5v h SER 63 Cb 0.33 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1m5v h SER 63 CO -0.24 0.14 -0.55 0.28 -0.87 0.00 0.00 176.83 175.59 1m5v h SER 64 N 0.26 0.60 -0.25 4.97 0.02 -1.36 -1.86 113.55 115.94 1m5v h SER 64 Ca 0.28 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1m5v h SER 64 Cb 0.75 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1m5v h SER 64 CO -0.06 1.03 0.13 0.00 -1.14 0.00 0.00 176.83 176.78 1m5v h ALA 65 N 0.98 0.32 0.23 3.77 0.00 -0.55 -1.98 119.26 122.05 1m5v h ALA 65 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1m5v h ALA 65 Cb 1.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1m5v h ALA 65 CO 0.10 -0.13 -0.19 1.15 0.00 0.00 0.00 179.25 180.18 1m5v h THR 66 N 0.28 0.59 -0.64 0.00 2.02 -1.12 -0.43 112.91 113.61 1m5v h THR 66 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1m5v h THR 66 Cb 0.10 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1m5v h THR 66 CO -0.01 0.00 0.42 0.78 0.37 0.00 0.00 175.52 177.08 1m5v h ASN 67 N -0.43 0.72 -0.32 4.18 2.35 -1.31 -1.17 115.58 119.59 1m5v h ASN 67 Ca -0.01 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 1m5v h ASN 67 Cb 0.39 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1m5v h ASN 67 CO -0.02 0.52 -0.25 0.00 -1.65 0.00 0.00 177.43 176.03 1m5v h ALA 68 N 1.61 0.47 0.01 -0.83 0.00 -1.05 -1.38 119.26 118.08 1m5v h ALA 68 Ca 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1m5v h ALA 68 Cb -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1m5v h ALA 68 CO -0.05 0.45 -0.00 1.25 0.00 0.00 0.00 179.25 180.89 1m5v h LEU 69 N 0.51 -0.01 -0.45 0.00 5.85 -0.60 -0.46 115.31 120.15 1m5v h LEU 69 Ca 0.06 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1m5v h LEU 69 Cb 0.81 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1m5v h LEU 69 CO 0.07 0.04 0.18 0.03 -0.34 0.00 0.00 178.44 178.42 1m5v h ARG 70 N -0.06 0.67 0.01 1.25 3.08 -1.21 -2.66 114.38 115.45 1m5v h ARG 70 Ca -0.00 -0.12 -0.22 0.00 0.07 0.00 0.00 59.98 59.71 1m5v h ARG 70 Cb 0.06 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1m5v h ARG 70 CO 0.00 0.61 -0.94 0.77 -1.07 0.00 0.00 179.97 179.34 1m5v h SER 71 N 0.58 0.48 -0.42 7.04 0.02 -1.21 -3.33 113.55 116.71 1m5v h SER 71 Ca 0.15 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1m5v h SER 71 Cb 0.19 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1m5v h SER 71 CO -0.01 1.19 0.00 0.23 -1.14 0.00 0.00 176.83 177.10 1m5v n MET 72 N -3.72 2.45 -1.75 3.45 2.81 -0.19 -4.87 117.12 115.30 1m5v n MET 72 Ca -0.06 -2.20 -0.42 0.00 -1.81 0.00 0.00 57.70 53.20 1m5v n MET 72 Cb 0.84 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.81 1m5v n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1m5v s GLN 73 N -1.46 4.14 0.00 0.03 2.00 -1.01 -1.74 119.66 121.63 1m5v s GLN 73 Ca 0.39 2.57 0.00 0.00 -2.00 0.00 0.00 55.36 56.32 1m5v s GLN 73 Cb 0.22 -3.44 0.00 0.00 0.80 0.00 0.00 33.01 30.60 1m5v s GLN 73 CO 0.31 -0.80 0.00 0.41 -0.50 0.00 0.00 175.29 174.71 1m5v n GLY 74 N 4.12 0.99 3.67 2.59 0.00 0.04 -4.96 105.19 111.65 1m5v n GLY 74 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 2.21 -2.21 1.61 -0.00 -0.71 -4.13 117.46 112.22 1m5v n PHE 75 Ca 0.00 0.41 -0.42 0.00 -0.00 0.00 0.00 57.45 57.44 1m5v n PHE 75 Cb 0.00 -2.48 -0.03 0.00 -0.00 0.00 0.00 39.48 36.98 1m5v n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1m5v s PRO 76 N -0.28 4.31 -0.12 -7.13 0.02 -1.26 -1.32 135.00 129.22 1m5v s PRO 76 Ca 0.69 2.00 -0.04 0.00 0.02 0.00 0.00 61.00 63.68 1m5v s PRO 76 Cb -0.65 -3.43 0.06 0.00 0.02 0.00 0.00 34.50 30.50 1m5v s PRO 76 CO 0.48 -0.50 0.13 0.12 -0.33 0.00 0.00 177.00 176.91 1m5v s PHE 77 N 1.78 -0.04 -1.59 6.54 5.36 -0.23 -4.78 117.98 125.02 1m5v s PHE 77 Ca 0.64 0.22 -0.15 0.00 -0.96 0.00 0.00 56.93 56.67 1m5v s PHE 77 Cb -0.34 -0.44 0.11 0.00 -0.34 0.00 0.00 43.02 42.01 1m5v s PHE 77 CO 0.28 -0.38 0.94 0.66 -1.46 0.00 0.00 175.22 175.26 1m5v n TYR 78 N 5.31 -2.16 -1.03 10.12 4.01 -1.26 -1.71 117.16 130.44 1m5v n TYR 78 Ca -0.05 0.88 -0.01 0.00 -0.16 0.00 0.00 57.90 58.56 1m5v n TYR 78 Cb 0.50 -3.69 -0.01 0.00 -0.31 0.00 0.00 39.34 35.83 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 -2.78 -3.93 -4.01 7.72 8.00 -1.26 -4.75 116.55 115.54 1m5v n ASP 79 Ca 0.06 0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.38 1m5v n ASP 79 Cb 0.51 -1.53 -0.15 0.00 -0.02 0.00 0.00 41.12 39.93 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 -0.98 0.96 -0.15 -1.24 1.02 -0.69 -5.10 119.74 113.56 1m5v s LYS 80 Ca 0.00 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.37 1m5v s LYS 80 Cb 0.00 -0.90 -0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1m5v s LYS 80 CO 0.00 0.14 1.36 -1.25 -0.92 0.00 0.00 175.35 174.68 1m5v s PRO 81 N 0.10 4.19 0.39 -1.68 0.04 -1.26 -1.06 135.00 135.72 1m5v s PRO 81 Ca -0.02 1.76 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 1m5v s PRO 81 Cb -0.08 -3.83 -0.10 0.00 0.04 0.00 0.00 34.50 30.53 1m5v s PRO 81 CO 0.00 -0.78 1.43 -1.64 0.04 0.00 0.00 177.00 176.06 1m5v s MET 82 N 3.69 4.02 -0.15 4.56 -1.94 -0.44 -4.78 119.30 124.26 1m5v s MET 82 Ca 0.60 2.45 -0.01 0.00 -1.71 0.00 0.00 55.69 57.01 1m5v s MET 82 Cb -0.24 -2.88 -0.01 0.00 2.01 0.00 0.00 34.83 33.70 1m5v s MET 82 CO 0.19 -0.55 -0.11 0.50 -0.01 0.00 0.00 175.02 175.03 1m5v s ARG 83 N -2.16 3.38 -0.01 2.03 3.00 -0.55 -0.78 118.95 123.86 1m5v s ARG 83 Ca 0.55 -0.67 0.05 0.00 -1.00 0.00 0.00 55.73 54.66 1m5v s ARG 83 Cb -0.44 -2.73 -0.01 0.00 0.00 0.00 0.00 34.95 31.77 1m5v s ARG 83 CO 0.59 0.10 -0.16 0.42 0.00 0.00 0.00 175.30 176.24 1m5v s ILE 84 N 0.66 1.29 0.18 4.11 1.01 -1.26 -0.42 121.20 126.77 1m5v s ILE 84 Ca -0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 1m5v s ILE 84 Cb -0.15 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 1m5v s ILE 84 CO 0.02 0.36 0.35 0.00 0.00 0.00 0.00 174.94 175.68 1m5v s GLN 85 N -0.40 1.26 0.59 2.79 -2.07 -0.41 -4.99 119.66 116.44 1m5v s GLN 85 Ca 0.06 -1.14 -0.16 0.00 -1.82 0.00 0.00 55.36 52.31 1m5v s GLN 85 Cb -0.06 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 1m5v s GLN 85 CO -0.01 -0.49 1.06 0.71 -1.32 0.00 0.00 175.29 175.25 1m5v s TYR 86 N -3.96 2.96 0.40 9.60 2.02 -1.26 0.11 117.35 127.22 1m5v s TYR 86 Ca 0.17 1.52 -0.25 0.00 -0.37 0.00 0.00 57.07 58.14 1m5v s TYR 86 Cb 0.02 -3.02 -0.09 0.00 -0.40 0.00 0.00 41.96 38.47 1m5v s TYR 86 CO 0.01 -1.15 1.10 0.00 -1.57 0.00 0.00 175.55 173.95 1m5v s ALA 87 N -2.42 3.12 0.36 3.71 0.00 -0.07 -4.42 121.76 122.04 1m5v s ALA 87 Ca 0.64 0.82 0.07 0.00 0.00 0.00 0.00 51.96 53.50 1m5v s ALA 87 Cb -0.16 -3.32 0.70 0.00 0.00 0.00 0.00 23.12 20.33 1m5v s ALA 87 CO 0.37 -0.36 1.89 0.87 0.00 0.00 0.00 175.76 178.53 1m5v h LYS 88 N 2.60 0.37 -4.86 0.00 1.57 -1.93 -3.45 116.57 110.87 1m5v h LYS 88 Ca -0.48 -0.08 -0.29 0.00 -1.87 0.00 0.00 60.65 57.93 1m5v h LYS 88 Cb 1.22 -0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 1m5v h LYS 88 CO 0.62 0.46 -0.68 0.95 -0.57 0.00 0.00 179.45 180.23 1m5v s THR 89 N -4.82 0.84 0.54 -0.16 -4.23 -1.26 -5.01 115.64 101.54 1m5v s THR 89 Ca -0.06 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.25 1m5v s THR 89 Cb 0.15 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.99 1m5v s THR 89 CO 0.75 -0.64 1.23 -1.81 -0.54 0.00 0.00 174.62 173.61 1m5v s ASP 90 N -3.15 5.52 0.50 3.99 1.01 -1.26 -4.94 116.67 118.35 1m5v s ASP 90 Ca 0.19 2.44 -0.19 0.00 0.71 0.00 0.00 52.55 55.71 1m5v s ASP 90 Cb 0.05 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1m5v s ASP 90 CO 0.01 -1.37 1.01 -0.44 0.21 0.00 0.00 175.17 174.59 1m5v s SER 91 N -1.38 6.42 0.22 0.27 0.01 -1.26 -4.81 113.70 113.17 1m5v s SER 91 Ca 0.72 1.77 -0.11 0.00 1.31 0.00 0.00 55.95 59.64 1m5v s SER 91 Cb -0.32 -2.54 0.30 0.00 0.21 0.00 0.00 66.02 63.68 1m5v s SER 91 CO 0.37 -0.72 1.65 0.44 0.41 0.00 0.00 173.24 175.39 1m5v h ASP 92 N 1.27 -0.32 -0.97 2.44 3.32 -1.98 -0.21 116.42 119.97 1m5v h ASP 92 Ca -0.48 0.16 0.20 0.00 0.02 0.00 0.00 57.03 56.93 1m5v h ASP 92 Cb 1.20 0.29 -0.09 0.00 0.22 0.00 0.00 39.33 40.96 1m5v h ASP 92 CO 0.60 -0.13 0.61 0.40 -1.72 0.00 0.00 179.24 179.00 1m5v h ILE 93 N 0.10 0.69 0.07 0.35 2.04 -1.97 0.36 117.51 119.14 1m5v h ILE 93 Ca 0.33 -0.20 -0.26 0.00 1.00 0.00 0.00 64.86 65.73 1m5v h ILE 93 Cb 0.54 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1m5v h ILE 93 CO -0.56 0.11 -1.28 0.40 0.00 0.00 0.00 178.15 176.82 1m5v h ILE 94 N 0.58 1.42 -0.06 -0.67 1.08 -1.53 -3.17 117.51 115.17 1m5v h ILE 94 Ca 0.53 -3.08 -0.07 0.00 -0.39 0.00 0.00 64.86 61.85 1m5v h ILE 94 Cb 1.06 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 37.62 1m5v h ILE 94 CO -0.28 0.86 -0.23 0.00 -0.69 0.00 0.00 178.15 177.82 1m5v h ALA 95 N 0.75 0.10 0.00 1.87 0.00 0.53 -3.04 119.26 119.48 1m5v h ALA 95 Ca -0.13 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1m5v h ALA 95 Cb 1.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1m5v h ALA 95 CO 0.15 0.09 0.00 1.63 0.00 0.00 0.00 179.25 181.12 1m5v n LYS 96 N -4.52 0.44 0.00 0.00 4.01 0.11 -5.09 118.16 113.11 1m5v n LYS 96 Ca -0.08 0.05 0.13 0.00 -0.51 0.00 0.00 58.31 57.91 1m5v n LYS 96 Cb 0.45 -1.50 0.39 0.00 -0.51 0.00 0.00 35.03 33.85 1m5v n LYS 96 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17