#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m58 s GLN 2 N 0.00 3.69 0.00 2.12 0.74 -1.26 -4.98 119.66 119.97 1m58 s GLN 2 Ca 0.00 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 54.93 1m58 s GLN 2 Cb 0.00 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.99 1m58 s GLN 2 CO 0.00 0.05 0.00 0.09 -0.55 0.00 0.00 175.29 174.88 1m58 n ASN 3 N 4.16 1.02 0.03 6.67 4.13 -1.26 -4.98 115.26 125.03 1m58 n ASN 3 Ca -0.17 -0.78 -0.12 0.00 1.68 0.00 0.00 54.58 55.19 1m58 n ASN 3 Cb 0.52 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.68 1m58 n ASN 3 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1m58 h TRP 4 N 0.78 0.01 0.56 3.10 -0.00 -1.94 -0.43 115.95 118.03 1m58 h TRP 4 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 1m58 h TRP 4 Cb 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 1m58 h TRP 4 CO 0.00 0.08 -0.49 0.93 -0.00 0.00 0.00 178.44 178.97 1m58 h GLU 5 N -0.08 -0.99 -0.91 2.65 5.08 -1.97 -0.80 114.58 117.57 1m58 h GLU 5 Ca 0.00 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.56 1m58 h GLU 5 Cb 0.08 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1m58 h GLU 5 CO -0.00 -0.66 0.58 1.15 -1.00 0.00 0.00 179.01 179.08 1m58 h THR 6 N -1.03 0.88 -0.28 1.13 2.02 -1.93 -1.26 112.91 112.44 1m58 h THR 6 Ca -0.07 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1m58 h THR 6 Cb 0.87 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1m58 h THR 6 CO -0.02 0.14 0.17 0.15 0.37 0.00 0.00 175.52 176.33 1m58 h PHE 7 N 0.78 0.36 0.00 3.16 3.04 -0.57 -1.95 116.94 121.75 1m58 h PHE 7 Ca 0.45 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.39 1m58 h PHE 7 Cb 0.62 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.01 1m58 h PHE 7 CO -0.00 0.26 -0.02 1.96 -2.02 0.00 0.00 178.31 178.49 1m58 h GLN 8 N 0.35 0.00 0.39 1.11 4.20 0.04 0.26 115.11 121.46 1m58 h GLN 8 Ca 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1m58 h GLN 8 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1m58 h GLN 8 CO -0.02 0.02 -0.19 0.87 -0.67 0.00 0.00 178.83 178.84 1m58 h LYS 9 N 0.00 -0.51 0.05 1.46 1.57 -0.94 -0.39 116.57 117.81 1m58 h LYS 9 Ca -0.00 0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.56 1m58 h LYS 9 Cb 0.04 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1m58 h LYS 9 CO 0.00 -0.21 -1.23 0.87 -0.57 0.00 0.00 179.45 178.31 1m58 h LYS 10 N -1.00 0.10 0.11 3.15 1.57 -1.40 -3.38 116.57 115.71 1m58 h LYS 10 Ca -0.05 -0.17 -0.30 0.00 -1.87 0.00 0.00 60.65 58.26 1m58 h LYS 10 Cb 0.53 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1m58 h LYS 10 CO 0.09 1.00 -1.58 0.45 -0.57 0.00 0.00 179.45 178.83 1m58 h HIS 11 N 0.03 0.41 -1.91 -1.35 3.86 -0.63 -3.41 115.15 112.15 1m58 h HIS 11 Ca -0.11 -0.30 -0.44 0.00 -1.16 0.00 0.00 60.37 58.36 1m58 h HIS 11 Cb 1.89 -0.02 0.02 0.00 1.06 0.00 0.00 27.41 30.36 1m58 h HIS 11 CO 0.02 1.62 -0.26 -0.51 0.86 0.00 0.00 177.93 179.67 1m58 s LEU 12 N -7.43 3.78 0.12 2.43 1.02 -0.16 0.09 118.68 118.53 1m58 s LEU 12 Ca -0.22 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 53.78 1m58 s LEU 12 Cb 0.05 -2.80 -0.04 0.00 0.02 0.00 0.00 46.19 43.42 1m58 s LEU 12 CO 0.75 -0.62 -0.02 -0.89 0.02 0.00 0.00 176.35 175.59 1m58 s THR 13 N -2.33 0.52 -0.14 5.49 2.01 0.80 -4.42 115.64 117.57 1m58 s THR 13 Ca 0.49 -1.92 -0.07 0.00 0.31 0.00 0.00 61.69 60.49 1m58 s THR 13 Cb -0.10 -1.84 -0.25 0.00 0.01 0.00 0.00 72.50 70.33 1m58 s THR 13 CO 0.33 -0.71 0.28 -0.67 -0.69 0.00 0.00 174.62 173.16 1m58 n ASP 14 N -0.08 2.09 -4.98 3.53 2.03 -1.26 -4.35 116.55 113.53 1m58 n ASP 14 Ca -0.10 0.19 -0.20 0.00 0.52 0.00 0.00 54.79 55.20 1m58 n ASP 14 Cb 0.62 -0.83 0.02 0.00 -0.72 0.00 0.00 41.12 40.21 1m58 n ASP 14 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1m58 s THR 15 N -2.54 3.10 -0.13 5.18 -4.23 -1.26 -4.91 115.64 110.85 1m58 s THR 15 Ca -0.24 -0.72 0.15 0.00 -1.18 0.00 0.00 61.69 59.70 1m58 s THR 15 Cb 0.07 -3.13 -0.21 0.00 1.34 0.00 0.00 72.50 70.57 1m58 s THR 15 CO 0.73 -0.08 0.12 -2.11 -0.54 0.00 0.00 174.62 172.75 1m58 n ARG 16 N -2.15 1.21 -1.27 3.99 1.85 -1.26 -4.42 116.66 114.62 1m58 n ARG 16 Ca 0.06 -0.04 -0.31 0.00 -1.00 0.00 0.00 57.85 56.56 1m58 n ARG 16 Cb 0.59 -1.41 0.11 0.00 -1.05 0.00 0.00 32.46 30.70 1m58 n ARG 16 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1m58 n ASP 17 N -2.48 6.48 -4.37 2.89 9.92 -1.26 -4.95 116.55 122.78 1m58 n ASP 17 Ca -0.21 -3.69 -0.33 0.00 -0.53 0.00 0.00 54.79 50.03 1m58 n ASP 17 Cb 0.90 -0.94 0.14 0.00 -0.64 0.00 0.00 41.12 40.58 1m58 n ASP 17 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1m58 n VAL 18 N -0.92 0.00 -5.04 2.53 3.14 -1.26 -5.01 118.33 111.77 1m58 n VAL 18 Ca 0.60 -0.23 -0.32 0.00 -2.96 0.00 0.00 64.34 61.43 1m58 n VAL 18 Cb 0.95 -0.63 -0.17 0.00 -1.06 0.00 0.00 33.84 32.93 1m58 n VAL 18 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1m58 s LYS 19 N -3.62 3.08 0.42 1.45 -0.14 -1.26 -5.01 119.74 114.66 1m58 s LYS 19 Ca 0.57 -0.85 0.10 0.00 -1.36 0.00 0.00 55.97 54.43 1m58 s LYS 19 Cb -0.18 -2.37 0.91 0.00 -1.68 0.00 0.00 37.83 34.51 1m58 s LYS 19 CO 0.67 0.14 2.02 0.00 -0.76 0.00 0.00 175.35 177.41 1m58 h ASP 21 N 0.30 0.58 0.79 0.00 1.82 -1.94 -1.24 116.42 116.72 1m58 h ASP 21 Ca 0.07 -0.93 -0.03 0.00 -0.39 0.00 0.00 57.03 55.75 1m58 h ASP 21 Cb 0.13 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 1m58 h ASP 21 CO -0.00 1.55 -0.17 0.00 -1.61 0.00 0.00 179.24 179.01 1m58 h ALA 22 N 0.08 1.07 0.00 -0.78 0.00 -1.90 -2.41 119.26 115.33 1m58 h ALA 22 Ca -0.22 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.28 1m58 h ALA 22 Cb 1.85 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 1m58 h ALA 22 CO 0.17 0.21 -1.83 0.39 0.00 0.00 0.00 179.25 178.19 1m58 n GLU 23 N -3.40 0.54 0.32 0.00 -0.58 -0.49 -4.02 120.64 113.01 1m58 n GLU 23 Ca -0.00 0.23 0.20 0.00 -0.42 0.00 0.00 57.16 57.16 1m58 n GLU 23 Cb 0.36 -1.42 1.07 0.00 -0.57 0.00 0.00 31.44 30.88 1m58 n GLU 23 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1m58 h MET 24 N -0.95 0.00 0.00 3.49 4.05 -1.34 -2.29 114.93 117.88 1m58 h MET 24 Ca -0.39 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1m58 h MET 24 Cb 1.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 1m58 h MET 24 CO -0.24 0.01 -1.18 1.17 0.23 0.00 0.00 176.91 176.91 1m58 n LYS 25 N -3.35 0.46 -1.30 0.39 0.00 -0.91 0.12 118.16 113.57 1m58 n LYS 25 Ca -0.03 0.01 -0.31 0.00 0.00 0.00 0.00 58.31 57.98 1m58 n LYS 25 Cb 0.10 -1.66 -0.07 0.00 0.00 0.00 0.00 35.03 33.40 1m58 n LYS 25 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1m58 n LYS 26 N -2.26 3.23 -1.25 1.64 4.76 -0.86 -4.62 118.16 118.79 1m58 n LYS 26 Ca 0.00 -1.99 -0.11 0.00 -2.87 0.00 0.00 58.31 53.35 1m58 n LYS 26 Cb 0.50 -2.51 -0.05 0.00 -1.84 0.00 0.00 35.03 31.13 1m58 n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1m58 n ALA 27 N 2.93 -0.17 -0.07 7.82 0.00 -1.26 -4.81 120.51 124.95 1m58 n ALA 27 Ca 0.65 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 54.18 1m58 n ALA 27 Cb 0.45 -1.50 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 1m58 n ALA 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1m58 h LEU 28 N 0.00 0.00 -1.34 0.00 5.85 -1.73 -3.42 115.31 114.67 1m58 h LEU 28 Ca -0.23 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1m58 h LEU 28 Cb 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1m58 h LEU 28 CO 0.33 0.87 0.00 0.49 -0.34 0.00 0.00 178.44 179.80 1m58 n PHE 29 N -4.64 0.00 -3.02 1.25 3.72 -1.16 -5.00 117.46 108.61 1m58 n PHE 29 Ca -0.10 -0.14 -0.22 0.00 -0.05 0.00 0.00 57.45 56.94 1m58 n PHE 29 Cb 0.32 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1m58 n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1m58 n ASP 30 N -0.14 -5.73 -3.37 4.37 2.03 -0.38 -2.04 116.55 111.29 1m58 n ASP 30 Ca 0.00 -0.27 -0.16 0.00 0.52 0.00 0.00 54.79 54.87 1m58 n ASP 30 Cb 0.27 -4.66 0.09 0.00 -0.72 0.00 0.00 41.12 36.11 1m58 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m58 n LYS 32 N -3.99 -2.11 -0.05 0.00 4.76 -0.86 -4.90 118.16 111.00 1m58 n LYS 32 Ca -0.27 -0.59 -0.12 0.00 -2.87 0.00 0.00 58.31 54.47 1m58 n LYS 32 Cb 0.66 -0.60 -0.06 0.00 -1.84 0.00 0.00 35.03 33.19 1m58 n LYS 32 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1m58 h GLN 33 N 0.00 0.26 -3.85 1.97 3.07 -1.94 -3.47 115.11 111.16 1m58 h GLN 33 Ca -0.14 -0.10 -0.10 0.00 0.09 0.00 0.00 58.65 58.40 1m58 h GLN 33 Cb 0.45 -0.02 -0.12 0.00 0.08 0.00 0.00 27.48 27.87 1m58 h GLN 33 CO 0.09 0.53 -0.30 -1.59 0.09 0.00 0.00 178.83 177.65 1m58 s LYS 34 N -4.81 1.17 -0.22 0.06 -2.85 -1.26 0.75 119.74 112.58 1m58 s LYS 34 Ca -0.14 -1.15 -0.16 0.00 -1.00 0.00 0.00 55.97 53.52 1m58 s LYS 34 Cb 0.05 0.39 0.06 0.00 -2.06 0.00 0.00 37.83 36.27 1m58 s LYS 34 CO 0.72 -0.43 0.55 1.21 0.10 0.00 0.00 175.35 177.50 1m58 s ASN 35 N -2.96 -0.66 -0.42 0.03 3.04 0.66 -4.98 114.94 109.65 1m58 s ASN 35 Ca 0.17 1.16 -0.16 0.00 0.04 0.00 0.00 52.86 54.07 1m58 s ASN 35 Cb 0.03 1.10 0.02 0.00 -1.54 0.00 0.00 41.25 40.86 1m58 s ASN 35 CO -0.00 -0.21 0.37 -0.89 -3.04 0.00 0.00 177.10 173.33 1m58 s THR 36 N 0.98 5.17 -0.23 -5.21 2.01 -1.26 -0.17 115.64 116.93 1m58 s THR 36 Ca -0.05 -0.52 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1m58 s THR 36 Cb -0.05 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1m58 s THR 36 CO -0.09 -0.38 0.04 -0.36 -0.69 0.00 0.00 174.62 173.15 1m58 s PHE 37 N 1.90 3.08 0.31 4.92 0.08 -0.30 -4.08 117.98 123.89 1m58 s PHE 37 Ca 0.08 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.77 1m58 s PHE 37 Cb -0.18 -2.18 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1m58 s PHE 37 CO 0.12 -0.31 0.38 0.42 -0.10 0.00 0.00 175.22 175.73 1m58 s ILE 38 N 1.36 4.26 -0.19 0.64 1.01 0.11 -0.09 121.20 128.31 1m58 s ILE 38 Ca 0.05 -1.11 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1m58 s ILE 38 Cb -0.15 -3.46 0.05 0.00 0.01 0.00 0.00 42.46 38.91 1m58 s ILE 38 CO 0.02 -0.22 -0.01 -0.47 0.00 0.00 0.00 174.94 174.27 1m58 s TYR 39 N -2.15 1.55 -0.08 3.97 5.04 -0.92 -0.14 117.35 124.62 1m58 s TYR 39 Ca 0.41 -1.13 -0.31 0.00 -2.44 0.00 0.00 57.07 53.60 1m58 s TYR 39 Cb -0.08 -1.24 0.11 0.00 0.35 0.00 0.00 41.96 41.10 1m58 s TYR 39 CO 0.29 -0.64 1.38 0.00 -1.34 0.00 0.00 175.55 175.23 1m58 s ALA 40 N 1.68 -2.67 0.33 3.97 0.00 -1.26 -4.24 121.76 119.56 1m58 s ALA 40 Ca -0.02 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1m58 s ALA 40 Cb -0.17 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1m58 s ALA 40 CO -0.07 -1.15 0.47 1.03 0.00 0.00 0.00 175.76 176.04 1m58 s ARG 41 N -2.03 3.14 -0.04 0.00 0.52 -1.26 -4.89 118.95 114.40 1m58 s ARG 41 Ca 0.27 -0.98 -0.23 0.00 -0.52 0.00 0.00 55.73 54.27 1m58 s ARG 41 Cb 0.02 -2.82 -0.23 0.00 0.52 0.00 0.00 34.95 32.44 1m58 s ARG 41 CO -0.04 0.08 1.05 -1.00 0.02 0.00 0.00 175.30 175.42 1m58 h PRO 42 N 0.90 0.23 0.00 3.54 0.13 -2.00 -2.45 132.00 132.35 1m58 h PRO 42 Ca -0.46 -0.24 -0.07 0.00 -0.87 0.00 0.00 66.00 64.35 1m58 h PRO 42 Cb 1.25 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1m58 h PRO 42 CO 0.53 0.96 -0.35 0.78 -0.23 0.00 0.00 178.00 179.69 1m58 h GLY 43 N -0.40 0.00 1.94 1.56 0.00 -1.98 0.15 103.07 104.33 1m58 h GLY 43 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.08 1m58 h GLY 43 CO 0.07 0.00 -0.97 3.21 0.00 0.00 0.00 176.54 178.85 1m58 h ARG 44 N 0.00 0.05 0.00 4.80 2.47 -1.98 -3.25 114.38 116.47 1m58 h ARG 44 Ca -0.00 -0.08 -0.27 0.00 -1.26 0.00 0.00 59.98 58.37 1m58 h ARG 44 Cb 0.74 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 29.04 1m58 h ARG 44 CO 0.05 0.97 -1.57 0.28 0.56 0.00 0.00 179.97 180.26 1m58 h VAL 45 N 0.02 0.94 -0.50 2.04 2.07 -1.21 -3.34 116.25 116.27 1m58 h VAL 45 Ca -0.03 -2.74 0.02 0.00 0.82 0.00 0.00 66.70 64.77 1m58 h VAL 45 Cb 1.68 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 33.87 1m58 h VAL 45 CO 0.13 0.53 0.33 -0.61 0.02 0.00 0.00 177.57 177.98 1m58 h GLN 46 N 0.00 0.59 0.00 1.57 4.15 -0.76 -0.39 115.11 120.27 1m58 h GLN 46 Ca -0.23 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 1m58 h GLN 46 Cb 1.94 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 29.49 1m58 h GLN 46 CO 0.08 0.39 -0.02 0.00 -1.93 0.00 0.00 178.83 177.35 1m58 h ALA 47 N 1.70 1.83 0.00 3.38 0.00 -1.67 0.40 119.26 124.90 1m58 h ALA 47 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1m58 h ALA 47 Cb 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1m58 h ALA 47 CO -0.05 0.03 -0.68 1.25 0.00 0.00 0.00 179.25 179.81 1m58 h LEU 48 N 0.00 0.00 -3.12 0.00 5.85 -1.26 -3.31 115.31 113.47 1m58 h LEU 48 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1m58 h LEU 48 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1m58 h LEU 48 CO 0.00 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.72 1m58 n LYS 50 N -0.46 2.58 0.00 0.00 3.00 0.13 -3.47 118.16 119.94 1m58 n LYS 50 Ca 0.17 -3.08 0.00 0.00 -0.00 0.00 0.00 58.31 55.40 1m58 n LYS 50 Cb 0.71 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 33.55 1m58 n LYS 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1m58 n ASN 51 N -0.43 0.00 -4.68 3.14 5.15 -1.26 -5.04 115.26 112.15 1m58 n ASN 51 Ca 0.54 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 54.11 1m58 n ASN 51 Cb 0.48 0.02 -0.04 0.00 -0.53 0.00 0.00 39.78 39.71 1m58 n ASN 51 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1m58 s ILE 52 N -1.51 4.87 -0.23 -1.44 1.09 -1.26 -4.92 121.20 117.81 1m58 s ILE 52 Ca 0.00 1.70 0.01 0.00 -1.10 0.00 0.00 60.65 61.25 1m58 s ILE 52 Cb 0.00 -4.16 -0.14 0.00 -1.06 0.00 0.00 42.46 37.09 1m58 s ILE 52 CO 0.00 0.03 -0.21 -0.38 -0.10 0.00 0.00 174.94 174.28 1m58 n ILE 53 N 4.66 1.29 -2.57 2.92 5.41 -1.26 -2.51 119.36 127.30 1m58 n ILE 53 Ca 0.05 -0.48 -0.27 0.00 1.00 0.00 0.00 62.75 63.05 1m58 n ILE 53 Cb 0.49 -1.34 0.01 0.00 -0.71 0.00 0.00 39.64 38.09 1m58 n ILE 53 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1m58 s VAL 54 N -2.45 4.44 -0.17 1.39 1.01 -1.26 -0.23 120.40 123.13 1m58 s VAL 54 Ca -0.31 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1m58 s VAL 54 Cb 0.08 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1m58 s VAL 54 CO 0.51 -0.69 2.12 -0.44 0.00 0.00 0.00 175.10 176.60 1m58 s SER 55 N -4.18 5.73 0.06 3.32 0.01 -1.26 -4.37 113.70 113.01 1m58 s SER 55 Ca 0.50 2.02 -0.10 0.00 1.31 0.00 0.00 55.95 59.67 1m58 s SER 55 Cb -0.10 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1m58 s SER 55 CO 0.45 -1.72 0.22 -0.75 0.41 0.00 0.00 173.24 171.85 1m58 s LYS 56 N 5.83 0.78 -0.29 12.44 2.47 -0.91 -5.01 119.74 135.05 1m58 s LYS 56 Ca 0.96 -0.72 -0.11 0.00 -1.56 0.00 0.00 55.97 54.53 1m58 s LYS 56 Cb -0.34 0.33 -0.05 0.00 -1.46 0.00 0.00 37.83 36.31 1m58 s LYS 56 CO 0.36 -0.24 0.20 -0.80 0.16 0.00 0.00 175.35 175.03 1m58 s ASN 57 N -2.37 6.03 0.16 1.43 0.01 -1.26 -1.05 114.94 117.89 1m58 s ASN 57 Ca -0.01 -0.04 0.11 0.00 -0.71 0.00 0.00 52.86 52.21 1m58 s ASN 57 Cb 0.01 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1m58 s ASN 57 CO -0.07 -0.07 -0.25 0.54 -1.51 0.00 0.00 177.10 175.74 1m58 s VAL 58 N 1.77 2.28 -0.17 1.60 0.11 -0.71 -4.96 120.40 120.33 1m58 s VAL 58 Ca 0.07 -1.90 -0.02 0.00 -2.93 0.00 0.00 61.98 57.20 1m58 s VAL 58 Cb -0.16 -2.05 -0.02 0.00 -1.53 0.00 0.00 36.38 32.62 1m58 s VAL 58 CO 0.11 -0.03 -0.08 -0.76 -3.33 0.00 0.00 175.10 171.01 1m58 s LEU 59 N -2.39 2.90 0.02 2.54 1.43 -1.26 -1.50 118.68 120.42 1m58 s LEU 59 Ca 0.17 -0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 52.67 1m58 s LEU 59 Cb -0.09 -1.69 -0.10 0.00 0.03 0.00 0.00 46.19 44.34 1m58 s LEU 59 CO 0.08 0.11 1.96 -1.54 0.23 0.00 0.00 176.35 177.18 1m58 n SER 60 N 3.94 4.06 0.15 2.29 3.41 -1.07 -4.85 113.62 121.55 1m58 n SER 60 Ca -0.18 0.92 0.02 0.00 -0.26 0.00 0.00 58.87 59.36 1m58 n SER 60 Cb 0.52 -1.51 0.35 0.00 -0.26 0.00 0.00 64.21 63.31 1m58 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m58 h THR 61 N 5.56 1.25 -2.97 6.66 1.03 -1.97 -3.42 112.91 119.04 1m58 h THR 61 Ca -0.50 -1.17 -0.67 0.00 -0.01 0.00 0.00 66.41 64.06 1m58 h THR 61 Cb 1.24 1.55 -0.11 0.00 -1.07 0.00 0.00 68.15 69.77 1m58 h THR 61 CO 0.94 0.34 -0.55 -1.81 -0.01 0.00 0.00 175.52 174.44 1m58 s ASP 62 N -6.91 5.85 0.14 0.00 1.01 -1.26 -5.04 116.67 110.45 1m58 s ASP 62 Ca -0.04 0.31 -0.31 0.00 0.71 0.00 0.00 52.55 53.22 1m58 s ASP 62 Cb 0.14 -1.80 -0.09 0.00 1.01 0.00 0.00 42.92 42.19 1m58 s ASP 62 CO 0.74 0.39 1.44 -1.61 0.21 0.00 0.00 175.17 176.34 1m58 s GLU 63 N -0.93 4.29 0.10 8.23 8.01 -1.26 -4.69 118.70 132.46 1m58 s GLU 63 Ca 0.14 2.17 0.05 0.00 0.01 0.00 0.00 54.97 57.33 1m58 s GLU 63 Cb -0.12 -3.21 -0.04 0.00 -4.31 0.00 0.00 34.13 26.45 1m58 s GLU 63 CO 0.03 -0.48 0.04 -0.06 0.01 0.00 0.00 175.26 174.80 1m58 s PHE 64 N 1.04 3.05 -0.00 1.61 0.08 -0.82 -4.64 117.98 118.29 1m58 s PHE 64 Ca 0.66 -0.01 -0.30 0.00 0.12 0.00 0.00 56.93 57.40 1m58 s PHE 64 Cb -0.39 -1.54 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1m58 s PHE 64 CO 0.31 0.50 1.35 0.71 -0.10 0.00 0.00 175.22 177.99 1m58 s TYR 65 N -1.42 2.97 -0.15 0.36 2.02 -1.26 -1.46 117.35 118.40 1m58 s TYR 65 Ca 0.28 0.93 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 1m58 s TYR 65 Cb -0.11 -3.60 0.03 0.00 -0.40 0.00 0.00 41.96 37.88 1m58 s TYR 65 CO 0.20 -2.14 -0.09 -0.51 -1.57 0.00 0.00 175.55 171.43 1m58 s LEU 66 N 2.24 1.63 -0.45 -1.29 1.43 0.37 -2.16 118.68 120.45 1m58 s LEU 66 Ca 0.62 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 53.08 1m58 s LEU 66 Cb -0.30 -1.03 0.10 0.00 0.03 0.00 0.00 46.19 44.99 1m58 s LEU 66 CO 0.26 -0.12 0.31 -0.55 0.23 0.00 0.00 176.35 176.48 1m58 s SER 67 N 1.57 5.68 -0.03 2.29 0.15 0.88 -2.24 113.70 122.01 1m58 s SER 67 Ca 0.03 -1.74 -0.04 0.00 0.70 0.00 0.00 55.95 54.90 1m58 s SER 67 Cb -0.14 -2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1m58 s SER 67 CO -0.09 -0.63 0.18 1.51 1.20 0.00 0.00 173.24 175.41 1m58 s ASP 68 N 2.45 6.38 -0.23 5.45 -4.77 -0.82 -1.14 116.67 123.98 1m58 s ASP 68 Ca 0.05 0.38 -0.03 0.00 -3.30 0.00 0.00 52.55 49.64 1m58 s ASP 68 Cb -0.25 -2.02 0.00 0.00 -1.09 0.00 0.00 42.92 39.57 1m58 s ASP 68 CO 0.01 0.29 -0.04 0.00 0.70 0.00 0.00 175.17 176.12 1m58 s ASN 70 N 1.43 3.71 -0.32 0.00 0.01 -0.94 -0.24 114.94 118.59 1m58 s ASN 70 Ca 0.04 -0.59 -0.28 0.00 -0.71 0.00 0.00 52.86 51.32 1m58 s ASN 70 Cb -0.15 -0.46 -0.02 0.00 0.41 0.00 0.00 41.25 41.02 1m58 s ASN 70 CO -0.04 0.19 1.88 -0.60 -1.51 0.00 0.00 177.10 177.03 1m58 s ARG 71 N -2.00 3.25 -0.06 -0.60 3.52 0.23 -2.73 118.95 120.56 1m58 s ARG 71 Ca 0.16 1.50 0.06 0.00 -0.13 0.00 0.00 55.73 57.32 1m58 s ARG 71 Cb -0.10 -4.24 -0.08 0.00 -1.56 0.00 0.00 34.95 28.96 1m58 s ARG 71 CO 0.08 -1.95 0.03 1.51 -0.81 0.00 0.00 175.30 174.16 1m58 n ILE 72 N 7.48 0.44 0.00 4.11 0.13 -1.26 -4.98 119.36 125.27 1m58 n ILE 72 Ca 0.24 -0.28 0.00 0.00 -1.10 0.00 0.00 62.75 61.61 1m58 n ILE 72 Cb 0.47 -0.77 0.00 0.00 -0.84 0.00 0.00 39.64 38.49 1m58 n ILE 72 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 1m58 n LYS 73 N -2.23 0.00 -0.75 9.51 2.85 -1.22 -5.07 118.16 121.25 1m58 n LYS 73 Ca -0.10 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.82 1m58 n LYS 73 Cb 0.69 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 35.21 1m58 n LYS 73 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1m58 n LEU 74 N 0.00 -2.46 -0.03 -5.58 4.32 -1.26 -3.63 117.00 108.36 1m58 n LEU 74 Ca 0.00 -0.08 -0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1m58 n LEU 74 Cb 0.00 -0.86 -0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1m58 n LEU 74 CO 0.00 -3.02 -0.02 1.55 -1.22 0.00 0.00 177.39 174.67 1m58 h PRO 75 N -1.80 0.00 -0.27 3.23 0.13 -2.02 -3.40 132.00 127.86 1m58 h PRO 75 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1m58 h PRO 75 Cb 1.37 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.46 1m58 h PRO 75 CO 0.34 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.09 1m58 s HIS 77 N -2.99 3.74 0.54 0.00 5.04 -1.24 -4.51 115.29 115.88 1m58 s HIS 77 Ca 0.42 -2.03 0.08 0.00 -1.54 0.00 0.00 55.06 51.98 1m58 s HIS 77 Cb 0.36 -3.93 0.06 0.00 0.04 0.00 0.00 32.58 29.11 1m58 s HIS 77 CO 0.05 -1.09 0.58 0.71 -2.34 0.00 0.00 174.74 172.65 1m58 s TYR 78 N 0.39 1.64 -0.11 3.88 2.02 -1.26 -3.41 117.35 120.50 1m58 s TYR 78 Ca 0.24 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 1m58 s TYR 78 Cb -0.09 -2.08 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 1m58 s TYR 78 CO -0.08 -0.75 -0.08 0.21 -1.57 0.00 0.00 175.55 173.27 1m58 s LYS 79 N -4.45 3.20 -0.15 -0.62 2.47 -1.10 -4.94 119.74 114.16 1m58 s LYS 79 Ca 0.48 -0.58 -0.02 0.00 -1.56 0.00 0.00 55.97 54.29 1m58 s LYS 79 Cb -0.04 -2.69 -0.02 0.00 -1.46 0.00 0.00 37.83 33.62 1m58 s LYS 79 CO 0.30 0.41 -0.08 -1.17 0.16 0.00 0.00 175.35 174.97 1m58 s LEU 80 N -0.12 3.03 -0.24 5.43 2.96 -1.26 -2.21 118.68 126.27 1m58 s LEU 80 Ca 0.01 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1m58 s LEU 80 Cb -0.13 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.91 1m58 s LEU 80 CO 0.03 0.17 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.68 1m58 s LYS 81 N 0.36 1.22 -0.27 1.98 1.02 -0.76 -4.94 119.74 118.35 1m58 s LYS 81 Ca -0.07 -0.90 -0.08 0.00 0.02 0.00 0.00 55.97 54.94 1m58 s LYS 81 Cb -0.15 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1m58 s LYS 81 CO 0.04 -0.69 0.11 -1.59 -0.92 0.00 0.00 175.35 172.30 1m58 s LYS 82 N 1.52 3.63 0.14 1.68 -2.85 -1.25 -1.95 119.74 120.66 1m58 s LYS 82 Ca -0.01 -0.51 -0.18 0.00 -1.00 0.00 0.00 55.97 54.27 1m58 s LYS 82 Cb -0.18 -3.43 0.04 0.00 -2.06 0.00 0.00 37.83 32.19 1m58 s LYS 82 CO -0.09 -0.24 0.46 -1.54 0.10 0.00 0.00 175.35 174.03 1m58 s SER 83 N 1.64 -0.31 -0.21 0.03 1.04 -0.95 -4.93 113.70 110.01 1m58 s SER 83 Ca 0.06 -0.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.03 1m58 s SER 83 Cb -0.16 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1m58 s SER 83 CO 0.05 -0.90 0.53 -0.94 0.98 0.00 0.00 173.24 172.96 1m58 s SER 84 N -2.80 6.56 0.04 7.02 1.04 -1.26 -0.48 113.70 123.83 1m58 s SER 84 Ca 0.03 0.68 -0.27 0.00 0.48 0.00 0.00 55.95 56.87 1m58 s SER 84 Cb 0.01 -2.30 0.08 0.00 0.10 0.00 0.00 66.02 63.91 1m58 s SER 84 CO -0.11 -0.20 0.68 0.21 0.98 0.00 0.00 173.24 174.80 1m58 s ASN 85 N 1.20 -0.57 0.42 7.02 2.47 -0.54 -4.82 114.94 120.11 1m58 s ASN 85 Ca 0.24 0.30 -0.08 0.00 0.42 0.00 0.00 52.86 53.74 1m58 s ASN 85 Cb -0.15 0.54 -0.05 0.00 -1.45 0.00 0.00 41.25 40.13 1m58 s ASN 85 CO 0.10 -0.76 0.75 0.28 -3.72 0.00 0.00 177.10 173.75 1m58 s THR 86 N -2.54 4.85 0.10 -5.21 -1.32 -1.26 -1.95 115.64 108.31 1m58 s THR 86 Ca -0.03 0.41 -0.04 0.00 -1.21 0.00 0.00 61.69 60.82 1m58 s THR 86 Cb -0.01 -3.78 -0.03 0.00 -1.51 0.00 0.00 72.50 67.18 1m58 s THR 86 CO -0.03 -0.62 0.10 0.27 -2.21 0.00 0.00 174.62 172.13 1m58 s ILE 87 N -2.48 0.14 -0.49 5.08 -4.36 -1.26 -2.09 121.20 115.75 1m58 s ILE 87 Ca 0.49 -1.63 -0.15 0.00 -0.26 0.00 0.00 60.65 59.11 1m58 s ILE 87 Cb -0.10 -1.69 0.09 0.00 1.25 0.00 0.00 42.46 42.01 1m58 s ILE 87 CO 0.36 -0.65 0.41 0.00 0.24 0.00 0.00 174.94 175.30 1m58 s ILE 89 N 1.59 2.55 -0.43 0.00 -4.36 -0.56 -0.83 121.20 119.16 1m58 s ILE 89 Ca 0.04 -1.13 -0.07 0.00 -0.26 0.00 0.00 60.65 59.23 1m58 s ILE 89 Cb -0.26 -2.67 0.10 0.00 1.25 0.00 0.00 42.46 40.87 1m58 s ILE 89 CO 0.05 0.00 0.26 -0.89 0.24 0.00 0.00 174.94 174.60 1m58 s THR 90 N -2.51 3.95 0.29 8.37 2.01 0.63 -1.73 115.64 126.65 1m58 s THR 90 Ca 0.53 -1.66 -0.15 0.00 0.31 0.00 0.00 61.69 60.72 1m58 s THR 90 Cb -0.06 -3.52 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 1m58 s THR 90 CO 0.32 -0.61 0.71 0.00 -0.69 0.00 0.00 174.62 174.36 1m58 s GLU 92 N -2.79 0.23 -1.45 0.00 2.12 -0.37 -2.15 118.70 114.29 1m58 s GLU 92 Ca 0.51 0.39 -0.03 0.00 0.36 0.00 0.00 54.97 56.20 1m58 s GLU 92 Cb -0.11 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.33 1m58 s GLU 92 CO 0.18 -0.05 0.40 -1.71 -0.54 0.00 0.00 175.26 173.54 1m58 n ASN 93 N 3.26 -5.59 0.00 -1.70 5.15 0.68 -2.19 115.26 114.87 1m58 n ASN 93 Ca -0.17 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 1m58 n ASN 93 Cb 0.57 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 1m58 n ASN 93 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1m58 n LYS 94 N -3.44 0.00 -4.00 1.20 5.02 -1.05 -5.02 118.16 110.88 1m58 n LYS 94 Ca -0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 1m58 n LYS 94 Cb 0.63 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 1m58 n LYS 94 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1m58 s LEU 95 N 0.00 2.26 0.26 -0.35 -0.00 -0.93 -3.73 118.68 116.19 1m58 s LEU 95 Ca 0.00 -0.55 -0.20 0.00 -0.00 0.00 0.00 54.13 53.39 1m58 s LEU 95 Cb 0.00 0.08 -0.09 0.00 -0.00 0.00 0.00 46.19 46.18 1m58 s LEU 95 CO 0.00 -0.31 0.76 -2.16 -0.00 0.00 0.00 176.35 174.64 1m58 s PRO 96 N -1.68 4.25 0.00 1.48 0.04 -1.26 -1.24 135.00 136.59 1m58 s PRO 96 Ca -0.13 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1m58 s PRO 96 Cb -0.09 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1m58 s PRO 96 CO -0.02 0.33 0.24 1.33 0.04 0.00 0.00 177.00 178.93 1m58 n VAL 97 N 0.47 0.00 -3.78 -0.36 0.24 -0.89 -4.81 118.33 109.20 1m58 n VAL 97 Ca -0.01 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 1m58 n VAL 97 Cb 0.51 1.51 -0.10 0.00 -1.47 0.00 0.00 33.84 34.30 1m58 n VAL 97 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1m58 s HIS 98 N -0.00 -0.20 -0.23 6.34 3.76 -1.25 -4.96 115.29 118.75 1m58 s HIS 98 Ca 0.00 0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 55.21 1m58 s HIS 98 Cb 0.00 0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.74 1m58 s HIS 98 CO 0.00 -0.30 0.08 -0.59 -0.85 0.00 0.00 174.74 173.07 1m58 s PHE 99 N -0.87 3.15 -0.12 1.40 -0.71 -1.26 -0.27 117.98 119.31 1m58 s PHE 99 Ca -0.10 -0.18 -0.05 0.00 -1.04 0.00 0.00 56.93 55.56 1m58 s PHE 99 Cb -0.05 -2.19 -0.02 0.00 -1.21 0.00 0.00 43.02 39.55 1m58 s PHE 99 CO 0.03 -0.15 -0.11 0.28 -1.34 0.00 0.00 175.22 173.93 1m58 h VAL 100 N 5.28 0.00 -1.18 -2.49 2.07 -1.27 -3.48 116.25 115.18 1m58 h VAL 100 Ca -0.37 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1m58 h VAL 100 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1m58 h VAL 100 CO 0.62 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.21 1m58 n ALA 101 N -3.25 0.00 -1.51 1.67 0.00 -0.90 -4.92 120.51 111.60 1m58 n ALA 101 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1m58 n ALA 101 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1m58 n ALA 101 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1m58 n VAL 102 N 0.00 0.00 -0.21 0.00 0.24 -1.26 -0.89 118.33 116.21 1m58 n VAL 102 Ca 0.00 0.00 0.31 0.00 -2.04 0.00 0.00 64.34 62.61 1m58 n VAL 102 Cb 0.00 -0.33 0.66 0.00 -1.47 0.00 0.00 33.84 32.70 1m58 n VAL 102 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1m58 h GLU 103 N 0.00 0.00 -4.82 7.34 4.11 -1.73 -2.57 114.58 116.91 1m58 h GLU 103 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.76 1m58 h GLU 103 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 1m58 h GLU 103 CO 0.00 0.00 -0.62 -1.21 0.07 0.00 0.00 179.01 177.25 1m58 s GLU 104 N -4.67 3.17 0.04 1.06 2.02 -1.26 -4.83 118.70 114.23 1m58 s GLU 104 Ca -0.04 -0.80 -0.18 0.00 0.02 0.00 0.00 54.97 53.97 1m58 s GLU 104 Cb 0.18 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.96 1m58 s GLU 104 CO 0.63 -0.41 0.51 0.00 0.02 0.00 0.00 175.26 176.01