#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu4 s ARG 7 N 0.00 4.16 0.17 1.09 3.00 -1.26 -5.03 118.95 121.09 1nu4 s ARG 7 Ca 0.00 0.28 -0.31 0.00 -1.00 0.00 0.00 55.73 54.71 1nu4 s ARG 7 Cb 0.00 -3.56 -0.17 0.00 0.00 0.00 0.00 34.95 31.22 1nu4 s ARG 7 CO 0.00 -0.12 0.76 -2.30 0.00 0.00 0.00 175.30 173.64 1nu4 n PRO 8 N 4.72 0.29 -4.08 5.12 -0.02 -1.26 -4.89 135.00 134.88 1nu4 n PRO 8 Ca -0.07 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 1nu4 n PRO 8 Cb 0.51 -1.30 -0.09 0.00 -0.02 0.00 0.00 33.50 32.60 1nu4 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1nu4 s ASN 9 N -0.64 0.23 0.49 2.55 3.84 -1.26 -5.03 114.94 115.11 1nu4 s ASN 9 Ca 0.70 -1.08 0.27 0.00 0.21 0.00 0.00 52.86 52.96 1nu4 s ASN 9 Cb -0.96 0.34 0.78 0.00 -0.55 0.00 0.00 41.25 40.85 1nu4 s ASN 9 CO 0.56 -0.77 1.77 0.45 -2.79 0.00 0.00 177.10 176.32 1nu4 h HIS 10 N 2.78 0.00 -3.55 0.43 3.86 -1.89 -3.43 115.15 113.35 1nu4 h HIS 10 Ca -0.34 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.20 1nu4 h HIS 10 Cb 1.21 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 29.47 1nu4 h HIS 10 CO 0.43 0.00 -0.70 0.99 0.86 0.00 0.00 177.93 179.51 1nu4 s THR 11 N -3.41 3.63 -0.02 2.45 2.01 -1.26 -0.97 115.64 118.07 1nu4 s THR 11 Ca 0.04 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1nu4 s THR 11 Cb 0.07 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1nu4 s THR 11 CO 0.62 0.56 -0.03 0.27 -0.69 0.00 0.00 174.62 175.35 1nu4 s ILE 12 N -0.35 3.98 -0.24 1.82 -4.36 -0.65 -1.19 121.20 120.21 1nu4 s ILE 12 Ca 0.05 -0.57 -0.06 0.00 -0.26 0.00 0.00 60.65 59.81 1nu4 s ILE 12 Cb -0.12 -2.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 1nu4 s ILE 12 CO 0.02 0.45 0.04 -0.47 0.24 0.00 0.00 174.94 175.23 1nu4 s TYR 13 N -0.99 3.06 -0.14 1.37 5.04 0.22 -1.99 117.35 123.93 1nu4 s TYR 13 Ca 0.17 -0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 54.30 1nu4 s TYR 13 Cb -0.11 -2.19 -0.02 0.00 0.35 0.00 0.00 41.96 39.99 1nu4 s TYR 13 CO 0.07 -0.35 -0.11 0.42 -1.34 0.00 0.00 175.55 174.23 1nu4 s ILE 14 N 1.47 3.21 0.30 3.14 1.01 0.51 -1.42 121.20 129.41 1nu4 s ILE 14 Ca 0.05 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.15 1nu4 s ILE 14 Cb -0.15 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1nu4 s ILE 14 CO 0.02 0.52 0.16 -0.46 0.00 0.00 0.00 174.94 175.18 1nu4 n ASN 15 N 3.56 0.42 -1.36 3.58 6.94 -0.26 -0.57 115.26 127.57 1nu4 n ASN 15 Ca -0.18 -2.71 -0.11 0.00 -0.02 0.00 0.00 54.58 51.55 1nu4 n ASN 15 Cb 0.53 1.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.97 1nu4 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1nu4 n ASN 16 N -1.78 -3.68 -4.85 0.53 5.15 -0.86 -2.17 115.26 107.58 1nu4 n ASN 16 Ca 0.00 -0.04 -0.33 0.00 -0.60 0.00 0.00 54.58 53.61 1nu4 n ASN 16 Cb 0.48 -2.84 -0.06 0.00 -0.53 0.00 0.00 39.78 36.83 1nu4 n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nu4 s LEU 17 N -3.30 4.10 -0.21 1.20 1.43 -0.69 -4.64 118.68 116.56 1nu4 s LEU 17 Ca 0.04 1.20 -0.28 0.00 -1.03 0.00 0.00 54.13 54.06 1nu4 s LEU 17 Cb -0.02 -3.96 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 1nu4 s LEU 17 CO 0.05 -0.16 2.05 0.21 0.23 0.00 0.00 176.35 178.73 1nu4 s ASN 18 N -2.25 5.73 0.00 2.29 3.84 -1.26 -4.33 114.94 118.95 1nu4 s ASN 18 Ca 0.52 1.83 0.15 0.00 0.21 0.00 0.00 52.86 55.57 1nu4 s ASN 18 Cb -0.11 -2.52 0.91 0.00 -0.55 0.00 0.00 41.25 38.98 1nu4 s ASN 18 CO 0.18 -1.75 1.37 -0.62 -2.79 0.00 0.00 177.10 173.49 1nu4 n GLU 19 N 8.46 0.66 0.00 0.43 1.02 -1.26 -2.86 120.64 127.10 1nu4 n GLU 19 Ca 0.26 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.51 1nu4 n GLU 19 Cb 0.45 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.53 1nu4 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nu4 n LYS 20 N -0.86 0.78 -3.00 3.49 5.02 -1.26 -4.88 118.16 117.45 1nu4 n LYS 20 Ca 0.11 -0.62 -0.40 0.00 -2.02 0.00 0.00 58.31 55.38 1nu4 n LYS 20 Cb 0.05 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 1nu4 n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1nu4 s ILE 21 N -2.65 4.61 0.26 -0.18 -1.09 -1.14 -5.01 121.20 116.01 1nu4 s ILE 21 Ca 0.16 1.62 -0.31 0.00 -2.23 0.00 0.00 60.65 59.89 1nu4 s ILE 21 Cb 0.18 -4.11 -0.11 0.00 -1.58 0.00 0.00 42.46 36.84 1nu4 s ILE 21 CO 0.65 0.43 1.62 -0.54 -1.23 0.00 0.00 174.94 175.88 1nu4 s LYS 22 N -0.49 4.13 0.32 2.79 1.02 -1.26 -4.78 119.74 121.47 1nu4 s LYS 22 Ca 0.37 2.57 0.09 0.00 0.02 0.00 0.00 55.97 59.01 1nu4 s LYS 22 Cb -0.21 -3.05 0.91 0.00 -0.52 0.00 0.00 37.83 34.96 1nu4 s LYS 22 CO 0.24 -0.66 1.66 -0.22 -0.92 0.00 0.00 175.35 175.45 1nu4 h LYS 23 N 5.49 0.27 -0.25 1.68 3.64 -1.95 0.13 116.57 125.58 1nu4 h LYS 23 Ca -0.46 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.74 1nu4 h LYS 23 Cb 1.21 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1nu4 h LYS 23 CO 0.84 0.18 -0.53 -0.44 -2.27 0.00 0.00 179.45 177.23 1nu4 h ASP 24 N 0.28 0.80 0.00 4.20 3.32 -2.00 -1.42 116.42 121.60 1nu4 h ASP 24 Ca 0.65 -0.42 -0.14 0.00 0.02 0.00 0.00 57.03 57.14 1nu4 h ASP 24 Cb 1.40 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1nu4 h ASP 24 CO -0.63 1.17 -0.45 -0.08 -1.72 0.00 0.00 179.24 177.54 1nu4 h GLU 25 N 0.56 0.53 -0.15 3.56 4.81 -1.35 -2.44 114.58 120.10 1nu4 h GLU 25 Ca 0.02 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1nu4 h GLU 25 Cb 1.10 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1nu4 h GLU 25 CO 0.11 0.88 0.02 1.25 -0.73 0.00 0.00 179.01 180.53 1nu4 h LEU 26 N 0.43 0.24 -0.83 1.64 5.85 -0.72 -1.68 115.31 120.23 1nu4 h LEU 26 Ca 0.03 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1nu4 h LEU 26 Cb 0.95 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1nu4 h LEU 26 CO 0.08 0.46 0.53 0.11 -0.34 0.00 0.00 178.44 179.28 1nu4 h LYS 27 N 0.02 0.97 -0.55 1.25 1.57 -1.20 0.91 116.57 119.53 1nu4 h LYS 27 Ca 0.04 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1nu4 h LYS 27 Cb 0.32 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1nu4 h LYS 27 CO 0.00 0.64 0.01 0.87 -0.57 0.00 0.00 179.45 180.40 1nu4 h LYS 28 N 1.00 0.97 -0.44 3.15 1.57 -1.32 -0.87 116.57 120.62 1nu4 h LYS 28 Ca 0.35 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1nu4 h LYS 28 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1nu4 h LYS 28 CO -0.14 0.97 -0.20 0.77 -0.57 0.00 0.00 179.45 180.28 1nu4 h SER 29 N 0.85 0.95 -0.37 0.86 0.02 -0.84 -1.63 113.55 113.39 1nu4 h SER 29 Ca 0.16 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1nu4 h SER 29 Cb 0.53 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1nu4 h SER 29 CO 0.03 1.14 0.08 -0.07 -1.14 0.00 0.00 176.83 176.86 1nu4 h LEU 30 N 0.76 0.64 -0.33 5.07 3.38 -0.67 -1.68 115.31 122.47 1nu4 h LEU 30 Ca 0.10 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1nu4 h LEU 30 Cb 0.77 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1nu4 h LEU 30 CO 0.06 0.66 -0.08 -0.74 0.09 0.00 0.00 178.44 178.44 1nu4 h HIS 31 N 0.67 0.72 -0.91 1.13 2.76 -0.90 -0.87 115.15 117.75 1nu4 h HIS 31 Ca 0.15 -0.15 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1nu4 h HIS 31 Cb 0.30 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 1nu4 h HIS 31 CO 0.01 0.81 0.52 0.00 -1.30 0.00 0.00 177.93 177.97 1nu4 h ALA 32 N 0.81 1.17 0.24 5.26 0.00 -0.96 -1.17 119.26 124.60 1nu4 h ALA 32 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nu4 h ALA 32 Cb 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nu4 h ALA 32 CO 0.03 0.65 -0.12 0.82 0.00 0.00 0.00 179.25 180.64 1nu4 h ILE 33 N 1.27 0.67 0.00 0.00 1.08 -1.21 -3.37 117.51 115.95 1nu4 h ILE 33 Ca 0.32 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1nu4 h ILE 33 Cb -0.01 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1nu4 h ILE 33 CO -0.06 0.16 0.00 -0.26 -0.69 0.00 0.00 178.15 177.30 1nu4 h PHE 34 N -0.88 0.00 0.00 1.37 0.04 -1.15 -3.28 116.94 113.03 1nu4 h PHE 34 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1nu4 h PHE 34 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1nu4 h PHE 34 CO 0.06 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.43 1nu4 h SER 35 N 0.00 0.00 0.69 2.17 4.64 -1.37 -1.13 113.55 118.55 1nu4 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nu4 h SER 35 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1nu4 h SER 35 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 1nu4 n ARG 36 N -2.31 0.31 -0.00 4.77 1.85 -1.24 -3.34 116.66 116.70 1nu4 n ARG 36 Ca -0.00 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.95 1nu4 n ARG 36 Cb 0.12 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.90 1nu4 n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1nu4 n PHE 37 N -1.35 0.01 -2.97 2.89 3.72 -0.43 -5.07 117.46 114.27 1nu4 n PHE 37 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1nu4 n PHE 37 Cb 0.27 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 1nu4 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nu4 n GLY 38 N 1.40 -1.61 3.59 1.37 0.00 -1.21 -4.42 105.19 104.31 1nu4 n GLY 38 Ca 0.01 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1nu4 n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nu4 s GLN 39 N -1.64 3.73 -0.11 1.61 2.00 -1.26 -4.58 119.66 119.41 1nu4 s GLN 39 Ca 0.00 0.40 -0.28 0.00 -2.00 0.00 0.00 55.36 53.48 1nu4 s GLN 39 Cb 0.00 -3.84 -0.02 0.00 0.80 0.00 0.00 33.01 29.95 1nu4 s GLN 39 CO 0.00 -1.01 0.94 0.42 -0.50 0.00 0.00 175.29 175.13 1nu4 s ILE 40 N 3.49 4.84 -0.09 -2.34 1.01 -1.26 -1.08 121.20 125.77 1nu4 s ILE 40 Ca 0.36 1.90 0.08 0.00 0.00 0.00 0.00 60.65 63.00 1nu4 s ILE 40 Cb -0.12 -4.25 -0.24 0.00 0.01 0.00 0.00 42.46 37.87 1nu4 s ILE 40 CO 0.21 0.05 0.48 0.18 0.00 0.00 0.00 174.94 175.86 1nu4 n LEU 41 N 4.83 1.26 -3.56 2.97 4.77 0.10 -4.93 117.00 122.44 1nu4 n LEU 41 Ca 0.07 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 1nu4 n LEU 41 Cb 0.49 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1nu4 n LEU 41 CO 0.51 0.53 0.68 -0.62 -1.33 0.00 0.00 177.39 177.16 1nu4 s ASP 42 N -6.25 -0.45 -0.12 -1.43 2.15 -1.14 -5.01 116.67 104.42 1nu4 s ASP 42 Ca -0.11 0.49 0.01 0.00 0.43 0.00 0.00 52.55 53.37 1nu4 s ASP 42 Cb 0.07 0.37 0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1nu4 s ASP 42 CO 0.80 -0.42 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.64 1nu4 s ILE 43 N -1.13 1.34 -0.25 4.11 1.01 -1.26 -0.43 121.20 124.59 1nu4 s ILE 43 Ca -0.04 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1nu4 s ILE 43 Cb -0.00 -1.27 -0.00 0.00 0.01 0.00 0.00 42.46 41.19 1nu4 s ILE 43 CO 0.04 0.42 0.01 -0.76 0.00 0.00 0.00 174.94 174.65 1nu4 s LEU 44 N 1.39 3.28 -0.00 2.97 1.43 0.55 -4.97 118.68 123.32 1nu4 s LEU 44 Ca 0.01 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1nu4 s LEU 44 Cb -0.13 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1nu4 s LEU 44 CO -0.07 -0.08 -0.13 -0.69 0.23 0.00 0.00 176.35 175.61 1nu4 s VAL 45 N 1.50 1.04 -0.08 -1.59 1.01 -1.26 -1.23 120.40 119.78 1nu4 s VAL 45 Ca 0.04 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1nu4 s VAL 45 Cb -0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1nu4 s VAL 45 CO -0.01 0.26 -0.17 -0.55 0.00 0.00 0.00 175.10 174.63 1nu4 s SER 46 N -0.39 3.71 0.00 3.32 0.15 -1.26 -4.98 113.70 114.24 1nu4 s SER 46 Ca 0.05 -0.35 0.28 0.00 0.70 0.00 0.00 55.95 56.63 1nu4 s SER 46 Cb -0.05 -1.12 1.24 0.00 -1.71 0.00 0.00 66.02 64.38 1nu4 s SER 46 CO -0.00 0.25 1.85 -1.14 1.20 0.00 0.00 173.24 175.40 1nu4 n ARG 47 N 2.94 1.49 -2.56 5.44 0.63 -1.26 -4.34 116.66 119.01 1nu4 n ARG 47 Ca -0.18 -0.72 -0.36 0.00 -0.92 0.00 0.00 57.85 55.68 1nu4 n ARG 47 Cb 0.52 -1.48 -0.04 0.00 0.45 0.00 0.00 32.46 31.92 1nu4 n ARG 47 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1nu4 s SER 48 N -1.97 6.70 0.00 6.15 1.04 -1.26 -4.94 113.70 119.42 1nu4 s SER 48 Ca 0.40 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.83 1nu4 s SER 48 Cb 0.21 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1nu4 s SER 48 CO 0.34 -0.53 0.84 -0.11 0.98 0.00 0.00 173.24 174.76 1nu4 n LEU 49 N -0.25 0.00 -0.36 2.42 7.94 -1.26 -1.66 117.00 123.83 1nu4 n LEU 49 Ca 0.06 0.84 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1nu4 n LEU 49 Cb 0.50 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.11 1nu4 n LEU 49 CO 0.44 -0.34 0.14 0.29 -1.11 0.00 0.00 177.39 176.80 1nu4 n LYS 50 N -2.30 0.44 0.00 1.96 4.76 -1.26 -2.40 118.16 119.36 1nu4 n LYS 50 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1nu4 n LYS 50 Cb 0.00 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1nu4 n LYS 50 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1nu4 n MET 51 N 0.07 0.53 -1.53 1.97 2.81 -0.66 -5.08 117.12 115.23 1nu4 n MET 51 Ca 0.00 -0.61 -0.31 0.00 -1.81 0.00 0.00 57.70 54.98 1nu4 n MET 51 Cb 0.08 -0.70 0.07 0.00 -0.71 0.00 0.00 33.22 31.96 1nu4 n MET 51 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1nu4 s ARG 52 N -0.23 2.61 0.00 0.03 0.52 -1.01 -3.65 118.95 117.23 1nu4 s ARG 52 Ca 0.00 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 1nu4 s ARG 52 Cb 0.00 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1nu4 s ARG 52 CO 0.00 -1.31 0.00 0.41 0.02 0.00 0.00 175.30 174.42 1nu4 n GLY 53 N -1.93 0.39 3.15 -3.53 0.00 -1.26 -4.98 105.19 97.03 1nu4 n GLY 53 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1nu4 n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nu4 s GLN 54 N -0.60 0.86 0.01 1.61 -2.07 -1.24 -1.71 119.66 116.52 1nu4 s GLN 54 Ca 0.00 -1.38 -0.28 0.00 -1.82 0.00 0.00 55.36 51.87 1nu4 s GLN 54 Cb 0.00 0.14 0.10 0.00 -1.09 0.00 0.00 33.01 32.16 1nu4 s GLN 54 CO 0.00 -0.19 0.87 0.00 -1.32 0.00 0.00 175.29 174.65 1nu4 s ALA 55 N -3.93 -1.81 -0.01 2.60 0.00 0.26 -4.52 121.76 114.35 1nu4 s ALA 55 Ca 0.19 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.17 1nu4 s ALA 55 Cb 0.07 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1nu4 s ALA 55 CO -0.02 -0.70 -0.19 -0.06 0.00 0.00 0.00 175.76 174.80 1nu4 s PHE 56 N -3.16 1.67 -0.13 0.00 0.40 -0.36 -0.36 117.98 116.03 1nu4 s PHE 56 Ca 0.05 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1nu4 s PHE 56 Cb -0.01 -1.06 0.02 0.00 0.51 0.00 0.00 43.02 42.48 1nu4 s PHE 56 CO -0.09 -0.01 -0.15 0.08 0.70 0.00 0.00 175.22 175.75 1nu4 s VAL 57 N -0.48 1.54 -0.25 -0.44 1.01 -0.84 -0.33 120.40 120.61 1nu4 s VAL 57 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1nu4 s VAL 57 Cb -0.07 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1nu4 s VAL 57 CO -0.00 0.45 0.09 -0.63 0.00 0.00 0.00 175.10 175.01 1nu4 s ILE 58 N 1.28 4.52 0.17 2.22 1.01 0.42 -1.63 121.20 129.19 1nu4 s ILE 58 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.58 1nu4 s ILE 58 Cb -0.14 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 1nu4 s ILE 58 CO -0.07 0.34 0.27 -0.36 0.00 0.00 0.00 174.94 175.12 1nu4 s PHE 59 N 1.52 3.42 0.25 3.97 0.08 -0.15 0.02 117.98 127.09 1nu4 s PHE 59 Ca 0.06 0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1nu4 s PHE 59 Cb -0.15 -1.63 0.30 0.00 -0.57 0.00 0.00 43.02 40.97 1nu4 s PHE 59 CO 0.05 0.51 1.65 -0.22 -0.10 0.00 0.00 175.22 177.11 1nu4 h LYS 60 N 2.04 0.55 -6.37 0.44 1.63 -1.40 -3.45 116.57 110.01 1nu4 h LYS 60 Ca -0.49 -0.24 -0.63 0.00 -0.85 0.00 0.00 60.65 58.44 1nu4 h LYS 60 Cb 1.20 -0.02 -0.26 0.00 -0.60 0.00 0.00 32.23 32.55 1nu4 h LYS 60 CO 0.67 0.80 -0.86 -1.21 -3.45 0.00 0.00 179.45 175.40 1nu4 s GLU 61 N -4.39 1.57 0.34 1.90 0.41 -1.26 -5.01 118.70 112.25 1nu4 s GLU 61 Ca -0.07 -1.01 0.04 0.00 -0.41 0.00 0.00 54.97 53.52 1nu4 s GLU 61 Cb 0.13 -1.71 0.63 0.00 -1.78 0.00 0.00 34.13 31.40 1nu4 s GLU 61 CO 0.81 0.44 1.91 0.28 -0.49 0.00 0.00 175.26 178.21 1nu4 h VAL 62 N 4.30 1.18 -0.33 2.63 2.07 -1.85 -2.42 116.25 121.83 1nu4 h VAL 62 Ca -0.44 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1nu4 h VAL 62 Cb 1.15 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1nu4 h VAL 62 CO 0.44 0.24 0.16 0.77 0.02 0.00 0.00 177.57 179.19 1nu4 h SER 63 N 0.56 0.40 -0.41 0.57 4.64 -1.96 -0.97 113.55 116.38 1nu4 h SER 63 Ca 0.13 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.30 1nu4 h SER 63 Cb 0.24 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1nu4 h SER 63 CO -0.00 0.35 -0.22 0.28 -0.87 0.00 0.00 176.83 176.37 1nu4 h SER 64 N 0.46 0.90 -0.71 4.97 0.02 -1.65 -1.89 113.55 115.65 1nu4 h SER 64 Ca 0.12 -0.41 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 1nu4 h SER 64 Cb 0.06 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 1nu4 h SER 64 CO -0.02 1.11 0.19 0.00 -1.14 0.00 0.00 176.83 176.97 1nu4 h ALA 65 N 0.82 0.93 -0.41 3.77 0.00 -1.29 -1.13 119.26 121.95 1nu4 h ALA 65 Ca 0.09 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1nu4 h ALA 65 Cb 0.78 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nu4 h ALA 65 CO 0.06 0.64 -0.03 1.15 0.00 0.00 0.00 179.25 181.07 1nu4 h THR 66 N 1.06 1.27 -0.59 0.00 2.02 -1.09 -1.10 112.91 114.48 1nu4 h THR 66 Ca 0.22 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 1nu4 h THR 66 Cb 0.35 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1nu4 h THR 66 CO -0.00 0.37 0.03 -1.13 0.37 0.00 0.00 175.52 175.15 1nu4 h ASN 67 N 0.58 0.97 -0.42 4.18 -1.24 -1.20 -1.26 115.58 117.19 1nu4 h ASN 67 Ca 0.11 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.85 1nu4 h ASN 67 Cb 0.53 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 1nu4 h ASN 67 CO 0.03 1.01 0.21 0.00 -1.29 0.00 0.00 177.43 177.39 1nu4 h ALA 68 N 1.09 0.54 -0.31 1.57 0.00 -1.03 -0.27 119.26 120.85 1nu4 h ALA 68 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nu4 h ALA 68 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nu4 h ALA 68 CO 0.02 0.09 0.13 1.25 0.00 0.00 0.00 179.25 180.74 1nu4 h LEU 69 N 0.54 0.43 -0.77 0.00 6.46 -0.98 -0.60 115.31 120.39 1nu4 h LEU 69 Ca 0.15 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1nu4 h LEU 69 Cb 0.10 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1nu4 h LEU 69 CO -0.02 0.47 -0.09 0.03 -0.62 0.00 0.00 178.44 178.21 1nu4 h ARG 70 N 0.35 0.00 0.04 1.25 3.08 -1.13 -3.02 114.38 114.96 1nu4 h ARG 70 Ca 0.10 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.79 1nu4 h ARG 70 Cb 0.18 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1nu4 h ARG 70 CO -0.01 0.09 -2.19 0.43 -1.07 0.00 0.00 179.97 177.23 1nu4 n SER 71 N -3.17 1.52 -1.03 7.04 7.64 -0.12 -4.50 113.62 121.01 1nu4 n SER 71 Ca 0.02 0.09 0.12 0.00 1.01 0.00 0.00 58.87 60.10 1nu4 n SER 71 Cb 0.45 -0.27 0.17 0.00 -1.01 0.00 0.00 64.21 63.55 1nu4 n SER 71 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1nu4 n MET 72 N -3.21 2.38 -1.68 1.43 2.81 -0.24 -4.90 117.12 113.70 1nu4 n MET 72 Ca -0.35 -2.04 -0.45 0.00 -1.81 0.00 0.00 57.70 53.05 1nu4 n MET 72 Cb 1.05 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 32.04 1nu4 n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1nu4 n GLN 73 N 1.37 2.41 -0.96 0.03 -0.06 -1.14 -1.15 117.38 117.88 1nu4 n GLN 73 Ca 0.16 0.87 0.00 0.00 -2.00 0.00 0.00 57.00 56.04 1nu4 n GLN 73 Cb 0.59 -2.71 0.00 0.00 -4.06 0.00 0.00 30.24 24.07 1nu4 n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nu4 n GLY 74 N 3.95 0.60 3.72 1.69 0.00 0.11 -4.94 105.19 110.31 1nu4 n GLY 74 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1nu4 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nu4 s PHE 75 N -2.57 3.00 -0.47 1.61 2.19 -0.30 -4.24 117.98 117.21 1nu4 s PHE 75 Ca 0.00 0.54 -0.27 0.00 0.33 0.00 0.00 56.93 57.53 1nu4 s PHE 75 Cb 0.00 -4.00 -0.04 0.00 -1.31 0.00 0.00 43.02 37.67 1nu4 s PHE 75 CO 0.00 -3.72 2.04 -2.14 1.83 0.00 0.00 175.22 173.23 1nu4 s PRO 76 N 1.08 2.70 -0.22 10.12 0.02 -1.26 -1.19 135.00 146.25 1nu4 s PRO 76 Ca 0.71 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.91 1nu4 s PRO 76 Cb -0.46 -4.40 0.03 0.00 0.02 0.00 0.00 34.50 29.69 1nu4 s PRO 76 CO 0.32 -2.61 -0.13 0.12 -0.33 0.00 0.00 177.00 174.37 1nu4 s PHE 77 N 9.36 2.99 -1.44 6.54 5.36 0.52 -4.66 117.98 136.65 1nu4 s PHE 77 Ca 0.82 -1.72 -0.05 0.00 -0.96 0.00 0.00 56.93 55.03 1nu4 s PHE 77 Cb -0.18 -1.98 0.03 0.00 -0.34 0.00 0.00 43.02 40.55 1nu4 s PHE 77 CO 0.27 -0.78 0.62 0.66 -1.46 0.00 0.00 175.22 174.53 1nu4 n TYR 78 N 4.61 -1.82 -1.07 10.12 4.01 -1.26 -1.32 117.16 130.42 1nu4 n TYR 78 Ca -0.18 0.80 -0.02 0.00 -0.16 0.00 0.00 57.90 58.34 1nu4 n TYR 78 Cb 0.47 -3.84 -0.01 0.00 -0.31 0.00 0.00 39.34 35.65 1nu4 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1nu4 n ASP 79 N -2.94 -4.48 -3.92 7.72 8.00 -1.26 -4.75 116.55 114.92 1nu4 n ASP 79 Ca -0.21 0.06 -0.18 0.00 0.71 0.00 0.00 54.79 55.17 1nu4 n ASP 79 Cb 0.64 -2.19 -0.15 0.00 -0.02 0.00 0.00 41.12 39.39 1nu4 n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nu4 s LYS 80 N -1.44 0.60 -0.01 -1.24 1.02 -0.43 -5.09 119.74 113.15 1nu4 s LYS 80 Ca 0.00 -0.14 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 1nu4 s LYS 80 Cb 0.00 -0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 36.64 1nu4 s LYS 80 CO 0.00 0.02 1.38 -1.25 -0.92 0.00 0.00 175.35 174.58 1nu4 s PRO 81 N 0.41 4.29 0.39 -1.68 0.04 -1.26 -0.36 135.00 136.84 1nu4 s PRO 81 Ca -0.05 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1nu4 s PRO 81 Cb -0.09 -3.57 -0.09 0.00 0.04 0.00 0.00 34.50 30.79 1nu4 s PRO 81 CO -0.00 -0.56 1.32 -1.64 0.04 0.00 0.00 177.00 176.15 1nu4 s MET 82 N 2.39 4.02 -0.17 4.56 -1.94 -0.33 -4.79 119.30 123.04 1nu4 s MET 82 Ca 0.63 2.20 0.00 0.00 -1.71 0.00 0.00 55.69 56.82 1nu4 s MET 82 Cb -0.31 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 33.72 1nu4 s MET 82 CO 0.26 -0.47 -0.16 1.03 -0.01 0.00 0.00 175.02 175.68 1nu4 s ARG 83 N -2.18 3.17 -0.01 2.03 1.81 -0.92 0.05 118.95 122.90 1nu4 s ARG 83 Ca 0.56 -0.76 0.05 0.00 -1.72 0.00 0.00 55.73 53.86 1nu4 s ARG 83 Cb -0.39 -2.65 -0.01 0.00 -0.45 0.00 0.00 34.95 31.45 1nu4 s ARG 83 CO 0.51 -0.07 -0.17 0.42 -0.68 0.00 0.00 175.30 175.31 1nu4 s ILE 84 N 1.02 1.31 0.18 1.52 1.01 -1.26 -1.10 121.20 123.87 1nu4 s ILE 84 Ca -0.02 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 1nu4 s ILE 84 Cb -0.15 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 1nu4 s ILE 84 CO -0.04 0.33 0.25 -1.10 0.00 0.00 0.00 174.94 174.38 1nu4 s GLN 85 N -0.49 1.20 0.38 2.79 -0.21 -0.51 -4.98 119.66 117.84 1nu4 s GLN 85 Ca 0.06 -1.33 -0.25 0.00 0.02 0.00 0.00 55.36 53.86 1nu4 s GLN 85 Cb -0.07 0.35 -0.09 0.00 1.00 0.00 0.00 33.01 34.20 1nu4 s GLN 85 CO -0.00 -0.43 1.04 0.71 -2.12 0.00 0.00 175.29 174.49 1nu4 s TYR 86 N -4.03 3.35 0.55 0.91 2.02 -1.26 0.70 117.35 119.59 1nu4 s TYR 86 Ca 0.24 1.67 -0.19 0.00 -0.37 0.00 0.00 57.07 58.42 1nu4 s TYR 86 Cb 0.04 -3.11 -0.05 0.00 -0.40 0.00 0.00 41.96 38.44 1nu4 s TYR 86 CO 0.04 -0.50 1.11 0.00 -1.57 0.00 0.00 175.55 174.63 1nu4 s ALA 87 N -1.63 2.69 -0.78 3.71 0.00 -0.33 -4.57 121.76 120.85 1nu4 s ALA 87 Ca 0.56 0.72 0.24 0.00 0.00 0.00 0.00 51.96 53.48 1nu4 s ALA 87 Cb -0.22 -3.33 0.92 0.00 0.00 0.00 0.00 23.12 20.49 1nu4 s ALA 87 CO 0.28 -0.77 1.74 1.63 0.00 0.00 0.00 175.76 178.63 1nu4 n LYS 88 N -1.46 0.13 -0.79 0.00 4.01 -1.26 -4.89 118.16 113.90 1nu4 n LYS 88 Ca 0.11 0.22 -0.33 0.00 -0.51 0.00 0.00 58.31 57.80 1nu4 n LYS 88 Cb 0.51 -1.69 0.12 0.00 -0.51 0.00 0.00 35.03 33.47 1nu4 n LYS 88 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1nu4 n THR 89 N -1.93 0.00 -2.95 -0.18 5.66 -1.26 -5.02 114.28 108.60 1nu4 n THR 89 Ca 0.05 -0.22 -0.11 0.00 -3.05 0.00 0.00 64.05 60.71 1nu4 n THR 89 Cb 0.31 -0.57 -0.02 0.00 -1.55 0.00 0.00 70.33 68.49 1nu4 n THR 89 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1nu4 n ASP 90 N -1.03 -2.50 0.00 1.09 3.85 -1.26 -5.03 116.55 111.67 1nu4 n ASP 90 Ca 0.05 -2.79 0.00 0.00 -0.71 0.00 0.00 54.79 51.35 1nu4 n ASP 90 Cb 0.55 1.05 0.00 0.00 -1.35 0.00 0.00 41.12 41.38 1nu4 n ASP 90 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1nu4 n SER 91 N 2.78 0.00 -0.06 -1.12 2.88 -1.26 -5.05 113.62 111.79 1nu4 n SER 91 Ca 0.21 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.74 1nu4 n SER 91 Cb 0.54 0.02 -0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1nu4 n SER 91 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nu4 n ASP 92 N -1.97 -3.17 -0.05 -3.46 5.75 -1.26 -4.94 116.55 107.45 1nu4 n ASP 92 Ca 0.00 0.02 -0.10 0.00 -0.01 0.00 0.00 54.79 54.70 1nu4 n ASP 92 Cb 0.00 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 39.32 1nu4 n ASP 92 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1nu4 h ILE 93 N 0.00 1.07 -0.94 2.12 2.04 -1.98 0.25 117.51 120.08 1nu4 h ILE 93 Ca -0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1nu4 h ILE 93 Cb 0.08 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1nu4 h ILE 93 CO 0.02 0.07 0.59 0.40 0.00 0.00 0.00 178.15 179.24 1nu4 h ILE 94 N 0.26 1.25 0.00 -0.67 2.04 -1.96 0.17 117.51 118.60 1nu4 h ILE 94 Ca 0.07 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 1nu4 h ILE 94 Cb -0.00 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 1nu4 h ILE 94 CO -0.02 0.25 -0.46 0.00 0.00 0.00 0.00 178.15 177.93 1nu4 h ALA 95 N 1.37 1.12 0.09 1.87 0.00 -1.74 -1.75 119.26 120.23 1nu4 h ALA 95 Ca 0.34 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 1nu4 h ALA 95 Cb -0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1nu4 h ALA 95 CO -0.07 0.58 -1.29 1.57 0.00 0.00 0.00 179.25 180.04 1nu4 h LYS 96 N 0.00 0.19 -0.02 0.00 -0.00 0.48 -3.32 116.57 113.90 1nu4 h LYS 96 Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 60.65 60.32 1nu4 h LYS 96 Cb 0.88 0.12 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 1nu4 h LYS 96 CO 0.06 1.10 0.00 -1.33 -0.00 0.00 0.00 179.45 179.28 1nu4 n MET 97 N -3.44 1.88 0.00 0.07 2.81 0.49 -5.08 117.12 113.84 1nu4 n MET 97 Ca -0.09 -1.28 0.00 0.00 -1.81 0.00 0.00 57.70 54.52 1nu4 n MET 97 Cb 1.01 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.05 1nu4 n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11