#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m5p s ARG 7 N 0.00 4.36 0.45 1.09 3.52 -1.26 -4.91 118.95 122.20 1m5p s ARG 7 Ca 0.00 1.86 -0.23 0.00 -0.13 0.00 0.00 55.73 57.23 1m5p s ARG 7 Cb 0.00 -3.41 -0.10 0.00 -1.56 0.00 0.00 34.95 29.88 1m5p s ARG 7 CO 0.00 -0.39 0.92 -0.35 -0.81 0.00 0.00 175.30 174.67 1m5p n PRO 8 N 4.44 1.14 -3.79 5.12 -0.04 -1.26 -4.71 135.00 135.90 1m5p n PRO 8 Ca 0.11 0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 63.88 1m5p n PRO 8 Cb 0.45 -1.98 -0.07 0.00 -0.04 0.00 0.00 33.50 31.86 1m5p n PRO 8 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1m5p s ASN 9 N -0.86 -0.03 0.40 3.54 3.84 -1.26 -5.01 114.94 115.56 1m5p s ASN 9 Ca 0.65 -0.40 0.10 0.00 0.21 0.00 0.00 52.86 53.42 1m5p s ASN 9 Cb -0.54 0.36 0.90 0.00 -0.55 0.00 0.00 41.25 41.42 1m5p s ASN 9 CO 0.55 -0.68 1.98 0.45 -2.79 0.00 0.00 177.10 176.62 1m5p h HIS 10 N 2.98 0.57 -3.01 0.43 3.86 -1.88 -3.42 115.15 114.67 1m5p h HIS 10 Ca -0.33 0.01 -0.65 0.00 -1.16 0.00 0.00 60.37 58.24 1m5p h HIS 10 Cb 1.21 -0.19 -0.09 0.00 1.06 0.00 0.00 27.41 29.40 1m5p h HIS 10 CO 0.43 0.29 -0.55 0.99 0.86 0.00 0.00 177.93 179.96 1m5p s THR 11 N -5.51 4.94 -0.10 2.45 2.01 -1.26 -1.63 115.64 116.53 1m5p s THR 11 Ca -0.08 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1m5p s THR 11 Cb 0.19 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1m5p s THR 11 CO 0.75 0.36 -0.18 0.27 -0.69 0.00 0.00 174.62 175.14 1m5p s ILE 12 N -1.21 2.66 -0.12 1.82 -4.36 -0.99 -1.50 121.20 117.50 1m5p s ILE 12 Ca 0.23 -0.82 -0.18 0.00 -0.26 0.00 0.00 60.65 59.62 1m5p s ILE 12 Cb -0.12 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1m5p s ILE 12 CO 0.14 0.55 0.48 -0.47 0.24 0.00 0.00 174.94 175.88 1m5p s TYR 13 N 0.16 3.51 -0.11 1.37 6.14 0.35 -2.31 117.35 126.46 1m5p s TYR 13 Ca -0.10 0.89 0.03 0.00 0.64 0.00 0.00 57.07 58.53 1m5p s TYR 13 Cb -0.16 -2.55 0.01 0.00 0.42 0.00 0.00 41.96 39.68 1m5p s TYR 13 CO 0.06 0.17 -0.20 0.42 0.64 0.00 0.00 175.55 176.64 1m5p s ILE 14 N 0.61 1.80 0.30 3.14 1.01 -0.21 -1.12 121.20 126.73 1m5p s ILE 14 Ca 0.26 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1m5p s ILE 14 Cb -0.15 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1m5p s ILE 14 CO 0.10 0.50 0.22 0.54 0.00 0.00 0.00 174.94 176.31 1m5p s ASN 15 N 0.69 1.38 -0.37 3.58 6.03 -0.22 -1.25 114.94 124.77 1m5p s ASN 15 Ca -0.12 -1.65 -0.01 0.00 -1.03 0.00 0.00 52.86 50.05 1m5p s ASN 15 Cb -0.16 0.50 0.00 0.00 -3.03 0.00 0.00 41.25 38.55 1m5p s ASN 15 CO 0.02 -0.99 0.31 -3.20 -2.03 0.00 0.00 177.10 171.22 1m5p n ASN 16 N -1.18 -2.67 -4.91 3.54 5.15 -0.85 -1.87 115.26 112.47 1m5p n ASN 16 Ca 0.05 -0.16 -0.32 0.00 -0.60 0.00 0.00 54.58 53.55 1m5p n ASN 16 Cb 0.64 -1.81 -0.04 0.00 -0.53 0.00 0.00 39.78 38.04 1m5p n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1m5p s LEU 17 N -3.01 4.36 -0.16 1.20 1.43 -0.95 -4.55 118.68 116.99 1m5p s LEU 17 Ca 0.09 0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 1m5p s LEU 17 Cb -0.04 -2.91 -0.06 0.00 0.03 0.00 0.00 46.19 43.20 1m5p s LEU 17 CO 0.21 0.18 2.16 -3.20 0.23 0.00 0.00 176.35 175.93 1m5p n ASN 18 N 0.42 3.47 0.27 2.29 2.85 -1.26 -4.55 115.26 118.74 1m5p n ASN 18 Ca -0.06 0.38 0.12 0.00 -0.11 0.00 0.00 54.58 54.91 1m5p n ASN 18 Cb 0.51 -1.54 0.74 0.00 1.24 0.00 0.00 39.78 40.74 1m5p n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1m5p h GLU 19 N 13.88 0.00 0.00 1.20 5.08 -1.95 -3.05 114.58 129.74 1m5p h GLU 19 Ca -0.43 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1m5p h GLU 19 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1m5p h GLU 19 CO 0.96 0.08 -0.17 0.87 -1.00 0.00 0.00 179.01 179.74 1m5p h LYS 20 N 0.00 0.00 -6.64 2.33 1.57 -2.00 -3.45 116.57 108.38 1m5p h LYS 20 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1m5p h LYS 20 Cb 0.18 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.54 1m5p h LYS 20 CO 0.01 0.17 0.95 0.42 -0.57 0.00 0.00 179.45 180.43 1m5p s ILE 21 N -3.85 2.29 0.71 1.86 -1.09 -1.15 -4.97 121.20 114.99 1m5p s ILE 21 Ca -0.01 0.21 -0.15 0.00 -2.23 0.00 0.00 60.65 58.47 1m5p s ILE 21 Cb 0.11 -3.13 0.03 0.00 -1.58 0.00 0.00 42.46 37.88 1m5p s ILE 21 CO 0.61 0.02 1.19 -0.54 -1.23 0.00 0.00 174.94 174.99 1m5p s LYS 22 N 1.13 2.32 0.13 2.79 1.02 -1.26 -4.77 119.74 121.10 1m5p s LYS 22 Ca 0.72 1.72 -0.23 0.00 0.02 0.00 0.00 55.97 58.20 1m5p s LYS 22 Cb -0.47 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1m5p s LYS 22 CO 0.32 -1.69 1.66 -0.22 -0.92 0.00 0.00 175.35 174.50 1m5p h LYS 23 N -0.12 -0.24 -0.70 1.68 3.64 -1.96 -1.20 116.57 117.67 1m5p h LYS 23 Ca -0.48 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 1m5p h LYS 23 Cb 1.29 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 1m5p h LYS 23 CO 0.51 -0.16 0.22 0.22 -2.27 0.00 0.00 179.45 177.97 1m5p h ASP 24 N -0.25 1.02 -0.24 4.20 3.58 -1.98 -1.93 116.42 120.83 1m5p h ASP 24 Ca 0.09 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.30 1m5p h ASP 24 Cb 0.38 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1m5p h ASP 24 CO -0.25 0.96 0.04 -0.08 -2.88 0.00 0.00 179.24 177.03 1m5p h GLU 25 N 1.03 0.40 -0.41 0.28 4.81 -1.91 0.01 114.58 118.79 1m5p h GLU 25 Ca 0.23 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1m5p h GLU 25 Cb 0.30 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1m5p h GLU 25 CO -0.01 0.53 0.10 1.25 -0.73 0.00 0.00 179.01 180.15 1m5p h LEU 26 N 0.20 0.04 -0.88 1.64 5.85 -1.15 0.32 115.31 121.33 1m5p h LEU 26 Ca 0.07 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1m5p h LEU 26 Cb 0.32 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1m5p h LEU 26 CO 0.00 0.06 0.57 0.50 -0.34 0.00 0.00 178.44 179.23 1m5p h LYS 27 N 0.23 1.06 -0.07 1.25 3.64 -1.12 0.34 116.57 121.90 1m5p h LYS 27 Ca 0.20 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1m5p h LYS 27 Cb 0.22 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1m5p h LYS 27 CO -0.24 0.70 -0.04 0.87 -2.27 0.00 0.00 179.45 178.47 1m5p h LYS 28 N 1.09 0.14 0.04 1.90 1.57 0.09 -2.38 116.57 119.02 1m5p h LYS 28 Ca 0.36 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1m5p h LYS 28 Cb 0.03 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1m5p h LYS 28 CO -0.13 0.54 -0.29 0.77 -0.57 0.00 0.00 179.45 179.78 1m5p h SER 29 N -0.25 -0.84 -0.85 0.86 0.02 -0.66 -1.15 113.55 110.68 1m5p h SER 29 Ca 0.01 0.11 0.21 0.00 -0.84 0.00 0.00 61.79 61.28 1m5p h SER 29 Cb 0.50 0.33 -0.13 0.00 0.14 0.00 0.00 62.40 63.24 1m5p h SER 29 CO 0.01 -0.36 0.25 -0.07 -1.14 0.00 0.00 176.83 175.52 1m5p h LEU 30 N -0.45 0.06 0.24 5.07 3.38 -0.96 -0.09 115.31 122.57 1m5p h LEU 30 Ca 0.05 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1m5p h LEU 30 Cb 0.52 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1m5p h LEU 30 CO -0.22 -0.09 -0.12 -0.74 0.09 0.00 0.00 178.44 177.36 1m5p h HIS 31 N 0.26 -0.30 -0.34 1.13 2.76 -0.69 -2.39 115.15 115.58 1m5p h HIS 31 Ca 0.52 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.75 1m5p h HIS 31 Cb 0.99 0.10 -0.08 0.00 1.55 0.00 0.00 27.41 29.97 1m5p h HIS 31 CO -0.24 -0.19 -0.27 0.00 -1.30 0.00 0.00 177.93 175.93 1m5p h ALA 32 N 0.44 -0.11 -0.04 5.26 0.00 -0.15 0.99 119.26 125.65 1m5p h ALA 32 Ca -0.03 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1m5p h ALA 32 Cb 0.25 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1m5p h ALA 32 CO 0.05 -0.68 0.03 0.82 0.00 0.00 0.00 179.25 179.48 1m5p h ILE 33 N -0.23 0.72 0.00 0.00 5.03 -1.19 -3.20 117.51 118.63 1m5p h ILE 33 Ca 0.16 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.85 1m5p h ILE 33 Cb 0.50 0.97 -0.01 0.00 -3.03 0.00 0.00 36.82 35.25 1m5p h ILE 33 CO -0.47 0.00 -1.82 0.49 -0.68 0.00 0.00 178.15 175.67 1m5p n PHE 34 N -4.14 0.00 -0.33 1.37 3.72 -0.60 -4.62 117.46 112.87 1m5p n PHE 34 Ca -0.02 0.00 0.22 0.00 -0.05 0.00 0.00 57.45 57.60 1m5p n PHE 34 Cb 0.13 -0.46 0.43 0.00 -0.94 0.00 0.00 39.48 38.64 1m5p n PHE 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1m5p h SER 35 N 0.00 0.03 -0.01 4.37 0.02 -0.84 0.56 113.55 117.69 1m5p h SER 35 Ca -0.08 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1m5p h SER 35 Cb 0.99 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 1m5p h SER 35 CO 0.00 -0.32 0.14 0.08 -1.14 0.00 0.00 176.83 175.60 1m5p h ARG 36 N 0.08 0.00 0.00 3.45 0.11 -1.82 -1.96 114.38 114.24 1m5p h ARG 36 Ca 0.70 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.78 1m5p h ARG 36 Cb 1.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.73 1m5p h ARG 36 CO -0.78 0.00 -0.47 0.74 0.10 0.00 0.00 179.97 179.56 1m5p h PHE 37 N 0.00 0.00 0.00 4.08 0.04 -1.22 -3.49 116.94 116.35 1m5p h PHE 37 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1m5p h PHE 37 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1m5p h PHE 37 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1m5p n GLY 38 N 1.27 1.38 3.70 -1.45 0.00 -0.74 -4.49 105.19 104.86 1m5p n GLY 38 Ca 0.03 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1m5p n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1m5p n GLN 39 N -1.29 0.43 -4.01 1.61 7.27 -1.26 -4.62 117.38 115.51 1m5p n GLN 39 Ca 0.00 0.22 -0.30 0.00 0.07 0.00 0.00 57.00 56.98 1m5p n GLN 39 Cb 0.00 -2.45 -0.16 0.00 2.41 0.00 0.00 30.24 30.04 1m5p n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1m5p s ILE 40 N -1.92 1.63 0.24 1.69 1.01 -1.26 -2.99 121.20 119.59 1m5p s ILE 40 Ca 0.76 -0.84 0.15 0.00 0.00 0.00 0.00 60.65 60.71 1m5p s ILE 40 Cb -0.32 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.60 1m5p s ILE 40 CO 0.48 0.31 1.69 -0.07 0.00 0.00 0.00 174.94 177.35 1m5p h LEU 41 N 8.01 0.00 0.00 2.97 3.38 -1.11 -3.48 115.31 125.08 1m5p h LEU 41 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1m5p h LEU 41 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1m5p h LEU 41 CO 0.51 0.48 0.00 -0.67 0.09 0.00 0.00 178.44 178.85 1m5p n ASP 42 N -3.70 0.00 -3.66 -0.43 2.03 -1.20 -5.04 116.55 104.55 1m5p n ASP 42 Ca -0.01 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.06 1m5p n ASP 42 Cb 0.54 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.77 1m5p n ASP 42 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1m5p s ILE 43 N -2.00 0.06 -0.11 5.18 1.01 -1.26 -1.06 121.20 123.02 1m5p s ILE 43 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 1m5p s ILE 43 Cb 0.00 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 1m5p s ILE 43 CO 0.00 -0.09 0.42 -0.76 0.00 0.00 0.00 174.94 174.51 1m5p s LEU 44 N 2.08 4.31 -0.12 2.97 1.43 0.23 -4.95 118.68 124.62 1m5p s LEU 44 Ca 0.03 0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 53.82 1m5p s LEU 44 Cb -0.15 -2.59 0.05 0.00 0.03 0.00 0.00 46.19 43.53 1m5p s LEU 44 CO -0.07 0.09 0.30 -0.69 0.23 0.00 0.00 176.35 176.21 1m5p s VAL 45 N 0.26 -0.04 -0.01 -1.59 1.01 -1.26 -1.78 120.40 116.99 1m5p s VAL 45 Ca 0.23 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 1m5p s VAL 45 Cb -0.15 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 1m5p s VAL 45 CO 0.09 0.05 0.03 -0.55 0.00 0.00 0.00 175.10 174.73 1m5p s SER 46 N 1.28 0.01 -0.23 3.32 0.15 -1.26 -5.04 113.70 111.94 1m5p s SER 46 Ca -0.09 -0.03 0.14 0.00 0.70 0.00 0.00 55.95 56.67 1m5p s SER 46 Cb -0.10 0.09 0.67 0.00 -1.71 0.00 0.00 66.02 64.97 1m5p s SER 46 CO -0.10 -0.08 1.60 0.54 1.20 0.00 0.00 173.24 176.40 1m5p n ARG 47 N 2.71 3.70 -1.59 5.44 1.74 -1.26 -2.15 116.66 125.26 1m5p n ARG 47 Ca -0.15 -3.02 -0.32 0.00 -0.77 0.00 0.00 57.85 53.60 1m5p n ARG 47 Cb 0.59 -2.05 0.06 0.00 -1.02 0.00 0.00 32.46 30.04 1m5p n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1m5p s SER 48 N -1.44 4.99 0.27 0.55 1.04 -1.26 -4.51 113.70 113.34 1m5p s SER 48 Ca 0.49 1.87 -0.06 0.00 0.48 0.00 0.00 55.95 58.73 1m5p s SER 48 Cb 0.39 -2.53 0.49 0.00 0.10 0.00 0.00 66.02 64.46 1m5p s SER 48 CO 0.12 -1.71 1.47 -0.11 0.98 0.00 0.00 173.24 173.99 1m5p n LEU 49 N -2.85 -0.30 0.06 2.42 7.94 -1.26 -0.32 117.00 122.69 1m5p n LEU 49 Ca 0.09 1.62 -0.04 0.00 -1.11 0.00 0.00 56.01 56.57 1m5p n LEU 49 Cb 0.53 -0.51 -0.09 0.00 0.53 0.00 0.00 43.42 43.88 1m5p n LEU 49 CO 0.51 -1.57 0.03 0.11 -1.11 0.00 0.00 177.39 175.36 1m5p h LYS 50 N 0.00 0.00 0.00 1.96 1.79 -1.96 -3.38 116.57 114.98 1m5p h LYS 50 Ca 0.47 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.85 1m5p h LYS 50 Cb 0.78 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 1m5p h LYS 50 CO -0.96 0.71 -1.55 -1.33 -1.08 0.00 0.00 179.45 175.25 1m5p n MET 51 N -3.21 0.63 -1.45 3.15 2.81 -0.56 -4.98 117.12 113.51 1m5p n MET 51 Ca -0.04 0.06 -0.37 0.00 -1.81 0.00 0.00 57.70 55.54 1m5p n MET 51 Cb 0.91 -1.71 0.06 0.00 -0.71 0.00 0.00 33.22 31.77 1m5p n MET 51 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1m5p n ARG 52 N -2.65 0.58 -0.98 0.03 1.85 0.57 -2.30 116.66 113.76 1m5p n ARG 52 Ca -0.08 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1m5p n ARG 52 Cb 0.72 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1m5p n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1m5p n GLY 53 N 1.44 0.72 3.24 2.89 0.00 -1.26 -4.99 105.19 107.24 1m5p n GLY 53 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1m5p n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m5p s GLN 54 N -0.10 1.19 -0.27 1.61 -0.21 -0.97 -2.01 119.66 118.89 1m5p s GLN 54 Ca 0.00 -1.60 -0.25 0.00 0.02 0.00 0.00 55.36 53.52 1m5p s GLN 54 Cb 0.00 -0.11 0.13 0.00 1.00 0.00 0.00 33.01 34.03 1m5p s GLN 54 CO 0.00 -0.24 1.07 0.00 -2.12 0.00 0.00 175.29 174.00 1m5p s ALA 55 N -3.82 -1.99 -0.09 6.09 0.00 -0.38 -4.42 121.76 117.14 1m5p s ALA 55 Ca 0.30 1.84 -0.01 0.00 0.00 0.00 0.00 51.96 54.09 1m5p s ALA 55 Cb 0.07 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.74 1m5p s ALA 55 CO 0.08 -0.23 -0.03 -0.06 0.00 0.00 0.00 175.76 175.52 1m5p s PHE 56 N 0.11 3.07 -0.24 0.00 0.40 -0.73 -1.05 117.98 119.53 1m5p s PHE 56 Ca 0.03 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 1m5p s PHE 56 Cb -0.05 -1.79 0.05 0.00 0.51 0.00 0.00 43.02 41.75 1m5p s PHE 56 CO -0.06 0.36 -0.11 0.08 0.70 0.00 0.00 175.22 176.18 1m5p s VAL 57 N -0.69 2.04 -0.38 -0.44 1.01 -0.98 -0.60 120.40 120.36 1m5p s VAL 57 Ca 0.11 -1.47 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 1m5p s VAL 57 Cb -0.12 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1m5p s VAL 57 CO 0.02 0.03 0.68 -0.63 0.00 0.00 0.00 175.10 175.20 1m5p s ILE 58 N 1.18 4.83 0.12 2.22 1.01 -0.22 -2.33 121.20 128.00 1m5p s ILE 58 Ca -0.07 0.53 -0.11 0.00 0.00 0.00 0.00 60.65 61.01 1m5p s ILE 58 Cb -0.19 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 1m5p s ILE 58 CO -0.06 -0.42 0.46 -0.36 0.00 0.00 0.00 174.94 174.56 1m5p s PHE 59 N 2.85 3.57 0.31 3.97 0.08 -0.65 -0.52 117.98 127.59 1m5p s PHE 59 Ca 0.26 0.87 0.11 0.00 0.12 0.00 0.00 56.93 58.28 1m5p s PHE 59 Cb -0.14 -2.23 0.50 0.00 -0.57 0.00 0.00 43.02 40.58 1m5p s PHE 59 CO 0.17 0.46 1.70 -0.22 -0.10 0.00 0.00 175.22 177.22 1m5p h LYS 60 N 3.49 0.02 -4.69 0.44 3.64 -1.83 -3.43 116.57 114.21 1m5p h LYS 60 Ca -0.48 -0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.30 1m5p h LYS 60 Cb 1.19 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.66 1m5p h LYS 60 CO 0.67 0.53 -0.83 -1.21 -2.27 0.00 0.00 179.45 176.34 1m5p s GLU 61 N -3.87 2.20 0.25 1.90 0.41 -1.26 -5.03 118.70 113.29 1m5p s GLU 61 Ca -0.02 -0.54 -0.09 0.00 -0.41 0.00 0.00 54.97 53.91 1m5p s GLU 61 Cb 0.13 -1.93 0.39 0.00 -1.78 0.00 0.00 34.13 30.94 1m5p s GLU 61 CO 0.75 -0.13 1.61 0.28 -0.49 0.00 0.00 175.26 177.28 1m5p h VAL 62 N 6.00 0.23 -0.88 2.63 2.07 -1.87 0.18 116.25 124.61 1m5p h VAL 62 Ca -0.33 -0.01 0.23 0.00 0.82 0.00 0.00 66.70 67.41 1m5p h VAL 62 Cb 1.16 0.20 -0.13 0.00 -1.52 0.00 0.00 31.29 31.00 1m5p h VAL 62 CO 0.50 0.01 0.30 0.77 0.02 0.00 0.00 177.57 179.17 1m5p h SER 63 N 0.03 0.14 -0.49 0.57 4.64 -1.96 0.25 113.55 116.73 1m5p h SER 63 Ca 0.40 0.18 0.04 0.00 -0.47 0.00 0.00 61.79 61.94 1m5p h SER 63 Cb 0.66 0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 62.92 1m5p h SER 63 CO -0.78 -0.09 0.25 0.28 -0.87 0.00 0.00 176.83 175.62 1m5p h SER 64 N 0.28 0.37 -0.89 4.97 0.02 -0.87 -1.89 113.55 115.55 1m5p h SER 64 Ca 0.55 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.60 1m5p h SER 64 Cb 1.10 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 1m5p h SER 64 CO -0.60 0.25 0.55 0.00 -1.14 0.00 0.00 176.83 175.89 1m5p h ALA 65 N 1.26 1.24 0.72 3.77 0.00 -0.41 -1.64 119.26 124.21 1m5p h ALA 65 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1m5p h ALA 65 Cb 0.12 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1m5p h ALA 65 CO -0.15 0.26 -0.35 1.15 0.00 0.00 0.00 179.25 180.17 1m5p h THR 66 N 0.97 0.00 -0.42 0.00 2.02 -0.69 -0.52 112.91 114.27 1m5p h THR 66 Ca 0.40 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.60 1m5p h THR 66 Cb 0.24 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.56 1m5p h THR 66 CO -0.20 0.00 -0.17 0.78 0.37 0.00 0.00 175.52 176.30 1m5p h ASN 67 N -1.04 -0.60 -0.69 4.18 2.35 -1.29 0.52 115.58 119.01 1m5p h ASN 67 Ca -0.10 0.15 0.11 0.00 -0.55 0.00 0.00 56.30 55.91 1m5p h ASN 67 Cb 0.74 0.34 -0.08 0.00 0.05 0.00 0.00 38.32 39.38 1m5p h ASN 67 CO 0.16 -0.21 0.30 0.00 -1.65 0.00 0.00 177.43 176.04 1m5p h ALA 68 N 1.24 0.94 0.38 -0.83 0.00 -1.30 0.72 119.26 120.42 1m5p h ALA 68 Ca 0.20 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1m5p h ALA 68 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1m5p h ALA 68 CO -0.48 -0.13 -0.18 1.25 0.00 0.00 0.00 179.25 179.70 1m5p h LEU 69 N 0.50 -0.44 -0.48 0.00 5.85 0.73 0.12 115.31 121.60 1m5p h LEU 69 Ca 0.35 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1m5p h LEU 69 Cb 0.44 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1m5p h LEU 69 CO -0.31 -0.31 0.24 0.03 -0.34 0.00 0.00 178.44 177.75 1m5p h ARG 70 N -0.53 0.69 -0.54 1.25 3.08 -0.51 -2.75 114.38 115.08 1m5p h ARG 70 Ca -0.05 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1m5p h ARG 70 Cb 0.40 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1m5p h ARG 70 CO 0.09 0.58 0.14 0.77 -1.07 0.00 0.00 179.97 180.48 1m5p h SER 71 N 0.63 0.80 -0.53 7.04 0.02 0.60 -3.29 113.55 118.82 1m5p h SER 71 Ca 0.17 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1m5p h SER 71 Cb 0.11 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1m5p h SER 71 CO -0.02 0.82 0.00 0.23 -1.14 0.00 0.00 176.83 176.72 1m5p n MET 72 N -4.43 4.34 -2.06 3.45 2.81 0.39 -4.92 117.12 116.71 1m5p n MET 72 Ca 0.02 -3.05 -0.42 0.00 -1.81 0.00 0.00 57.70 52.44 1m5p n MET 72 Cb 0.22 -2.12 -0.03 0.00 -0.71 0.00 0.00 33.22 30.59 1m5p n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1m5p s GLN 73 N -2.58 4.20 -0.07 0.03 2.00 -1.04 -2.16 119.66 120.04 1m5p s GLN 73 Ca 0.52 2.13 0.00 0.00 -2.00 0.00 0.00 55.36 56.01 1m5p s GLN 73 Cb 0.38 -3.87 0.00 0.00 0.80 0.00 0.00 33.01 30.33 1m5p s GLN 73 CO 0.16 -0.79 0.00 0.41 -0.50 0.00 0.00 175.29 174.58 1m5p n GLY 74 N 4.01 0.46 3.74 2.59 0.00 0.19 -4.96 105.19 111.22 1m5p n GLY 74 Ca 0.16 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1m5p n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1m5p n PHE 75 N -2.84 2.52 -2.33 1.61 -0.00 -0.92 -4.16 117.46 111.35 1m5p n PHE 75 Ca -0.01 0.45 -0.43 0.00 -0.00 0.00 0.00 57.45 57.47 1m5p n PHE 75 Cb 0.09 -2.43 -0.02 0.00 -0.00 0.00 0.00 39.48 37.12 1m5p n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1m5p s PRO 76 N -2.43 3.92 -0.13 -7.13 0.02 -1.26 -0.57 135.00 127.41 1m5p s PRO 76 Ca 0.62 1.42 -0.03 0.00 0.02 0.00 0.00 61.00 63.04 1m5p s PRO 76 Cb -0.46 -3.92 0.05 0.00 0.02 0.00 0.00 34.50 30.19 1m5p s PRO 76 CO 0.57 -1.13 0.03 0.12 -0.33 0.00 0.00 177.00 176.27 1m5p s PHE 77 N 4.52 0.67 -1.46 6.54 5.36 -0.69 -4.80 117.98 128.12 1m5p s PHE 77 Ca 0.61 -0.42 -0.09 0.00 -0.96 0.00 0.00 56.93 56.06 1m5p s PHE 77 Cb -0.20 -0.84 0.06 0.00 -0.34 0.00 0.00 43.02 41.70 1m5p s PHE 77 CO 0.24 -0.46 0.88 0.66 -1.46 0.00 0.00 175.22 175.09 1m5p n TYR 78 N 5.15 -2.17 -1.57 10.12 4.01 -1.26 -2.08 117.16 129.35 1m5p n TYR 78 Ca -0.07 0.88 -0.13 0.00 -0.16 0.00 0.00 57.90 58.42 1m5p n TYR 78 Cb 0.49 -4.10 -0.05 0.00 -0.31 0.00 0.00 39.34 35.37 1m5p n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1m5p n ASP 79 N -2.91 -4.47 -3.77 7.72 9.92 -1.26 -4.66 116.55 117.14 1m5p n ASP 79 Ca -0.07 0.25 -0.13 0.00 -0.53 0.00 0.00 54.79 54.31 1m5p n ASP 79 Cb 0.58 -3.24 -0.14 0.00 -0.64 0.00 0.00 41.12 37.68 1m5p n ASP 79 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1m5p s LYS 80 N -3.45 0.13 -0.11 -1.24 1.02 -0.89 -5.06 119.74 110.16 1m5p s LYS 80 Ca 0.00 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.04 1m5p s LYS 80 Cb 0.00 -0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.19 1m5p s LYS 80 CO 0.00 -0.12 1.33 -1.25 -0.92 0.00 0.00 175.35 174.39 1m5p s PRO 81 N 0.86 4.25 0.19 -1.68 0.04 -1.26 -1.70 135.00 135.71 1m5p s PRO 81 Ca -0.06 1.79 -0.32 0.00 0.04 0.00 0.00 61.00 62.45 1m5p s PRO 81 Cb -0.08 -3.74 -0.11 0.00 0.04 0.00 0.00 34.50 30.60 1m5p s PRO 81 CO -0.05 -0.67 1.68 1.41 0.04 0.00 0.00 177.00 179.41 1m5p s MET 82 N 3.23 4.15 -0.22 4.56 1.75 0.27 -4.78 119.30 128.27 1m5p s MET 82 Ca 0.59 2.53 -0.06 0.00 -1.25 0.00 0.00 55.69 57.50 1m5p s MET 82 Cb -0.25 -3.11 -0.02 0.00 2.84 0.00 0.00 34.83 34.28 1m5p s MET 82 CO 0.20 -0.71 0.01 0.50 -0.65 0.00 0.00 175.02 174.37 1m5p s ARG 83 N 1.21 3.59 -0.02 4.11 3.52 -0.78 0.55 118.95 131.13 1m5p s ARG 83 Ca 0.73 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.88 1m5p s ARG 83 Cb -0.48 -3.14 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1m5p s ARG 83 CO 0.32 -0.08 -0.22 0.42 -0.81 0.00 0.00 175.30 174.92 1m5p s ILE 84 N 1.27 1.75 0.14 4.11 1.01 -1.26 -1.05 121.20 127.16 1m5p s ILE 84 Ca 0.04 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 1m5p s ILE 84 Cb -0.15 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1m5p s ILE 84 CO 0.01 0.49 0.25 -1.10 0.00 0.00 0.00 174.94 174.60 1m5p s GLN 85 N -0.46 1.07 0.60 2.79 -0.21 -0.28 -5.00 119.66 118.17 1m5p s GLN 85 Ca 0.07 -1.12 -0.17 0.00 0.02 0.00 0.00 55.36 54.16 1m5p s GLN 85 Cb -0.09 0.37 -0.03 0.00 1.00 0.00 0.00 33.01 34.26 1m5p s GLN 85 CO -0.00 -0.38 1.10 0.71 -2.12 0.00 0.00 175.29 174.60 1m5p s TYR 86 N -3.94 2.72 0.36 0.91 2.02 -1.26 0.13 117.35 118.28 1m5p s TYR 86 Ca 0.14 1.54 -0.26 0.00 -0.37 0.00 0.00 57.07 58.12 1m5p s TYR 86 Cb 0.04 -3.17 -0.09 0.00 -0.40 0.00 0.00 41.96 38.33 1m5p s TYR 86 CO -0.03 -1.51 1.06 0.00 -1.57 0.00 0.00 175.55 173.49 1m5p s ALA 87 N -2.17 3.19 0.20 3.71 0.00 -0.56 -4.36 121.76 121.77 1m5p s ALA 87 Ca 0.68 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 53.29 1m5p s ALA 87 Cb -0.21 -3.28 0.17 0.00 0.00 0.00 0.00 23.12 19.80 1m5p s ALA 87 CO 0.35 -0.17 1.86 0.87 0.00 0.00 0.00 175.76 178.67 1m5p h LYS 88 N 2.97 0.87 -5.24 0.00 1.57 -1.91 -3.45 116.57 111.37 1m5p h LYS 88 Ca -0.48 -0.05 -0.50 0.00 -1.87 0.00 0.00 60.65 57.75 1m5p h LYS 88 Cb 1.21 -0.20 -0.14 0.00 0.08 0.00 0.00 32.23 33.19 1m5p h LYS 88 CO 0.64 0.57 -0.60 0.95 -0.57 0.00 0.00 179.45 180.44 1m5p s THR 89 N -6.13 1.20 0.65 -0.16 -4.23 -1.26 -4.98 115.64 100.74 1m5p s THR 89 Ca -0.13 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.24 1m5p s THR 89 Cb 0.15 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 1m5p s THR 89 CO 0.77 0.00 1.08 -1.81 -0.54 0.00 0.00 174.62 174.12 1m5p s ASP 90 N -3.53 5.38 0.24 3.99 1.01 -1.26 -4.94 116.67 117.56 1m5p s ASP 90 Ca 0.35 1.83 -0.08 0.00 0.71 0.00 0.00 52.55 55.35 1m5p s ASP 90 Cb 0.08 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.41 1m5p s ASP 90 CO 0.15 -1.45 0.54 -0.44 0.21 0.00 0.00 175.17 174.19 1m5p s SER 91 N -2.98 6.58 0.12 0.27 0.01 -1.26 -4.87 113.70 111.57 1m5p s SER 91 Ca 0.63 0.86 -0.24 0.00 1.31 0.00 0.00 55.95 58.52 1m5p s SER 91 Cb -0.17 -2.20 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 1m5p s SER 91 CO 0.44 -0.10 1.36 0.47 0.41 0.00 0.00 173.24 175.82 1m5p n ASP 92 N -0.30 -0.82 -0.27 2.44 9.92 -1.26 -1.03 116.55 125.23 1m5p n ASP 92 Ca -0.00 1.54 0.06 0.00 -0.53 0.00 0.00 54.79 55.86 1m5p n ASP 92 Cb 0.53 -0.26 0.13 0.00 -0.64 0.00 0.00 41.12 40.88 1m5p n ASP 92 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1m5p n ILE 93 N -4.79 -0.32 0.09 0.53 5.41 -1.26 0.31 119.36 119.32 1m5p n ILE 93 Ca 0.02 1.72 -0.11 0.00 1.00 0.00 0.00 62.75 65.37 1m5p n ILE 93 Cb 0.20 -2.41 -0.09 0.00 -0.71 0.00 0.00 39.64 36.64 1m5p n ILE 93 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1m5p h ILE 94 N 0.00 1.54 0.06 1.39 1.08 -1.47 -3.33 117.51 116.79 1m5p h ILE 94 Ca 0.39 -2.96 -0.00 0.00 -0.39 0.00 0.00 64.86 61.89 1m5p h ILE 94 Cb 0.64 2.73 0.00 0.00 -3.07 0.00 0.00 36.82 37.13 1m5p h ILE 94 CO -0.77 0.86 -0.03 0.00 -0.69 0.00 0.00 178.15 177.52 1m5p h ALA 95 N 0.82 -0.09 0.00 1.87 0.00 0.80 -3.19 119.26 119.47 1m5p h ALA 95 Ca -0.07 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1m5p h ALA 95 Cb 1.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1m5p h ALA 95 CO 0.16 -0.24 0.00 1.63 0.00 0.00 0.00 179.25 180.80 1m5p n LYS 96 N -4.85 0.64 0.00 0.00 4.01 0.15 -5.09 118.16 113.02 1m5p n LYS 96 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 1m5p n LYS 96 Cb 0.29 -1.18 0.00 0.00 -0.51 0.00 0.00 35.03 33.63 1m5p n LYS 96 CO 0.00 0.00 0.00 -0.12 -1.11 0.00 0.00 177.40 176.17