#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba n GLN 3 N 0.00 3.51 -1.29 1.61 1.13 -1.26 -5.03 117.38 116.05 1jba n GLN 3 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1jba n GLN 3 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1jba n GLN 3 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1jba n GLN 4 N 0.00 -2.87 -1.59 -1.09 7.27 -1.26 -5.04 117.38 112.80 1jba n GLN 4 Ca 0.00 2.27 0.00 0.00 0.07 0.00 0.00 57.00 59.34 1jba n GLN 4 Cb 0.00 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 30.46 1jba n GLN 4 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1jba n PHE 5 N 0.93 -0.39 -2.18 3.69 3.01 -1.26 -4.83 117.46 116.43 1jba n PHE 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1jba n PHE 5 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1jba n PHE 5 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jba n SER 6 N -2.19 0.00 0.03 4.37 3.41 -1.26 -4.98 113.62 113.00 1jba n SER 6 Ca 0.00 -0.72 -0.22 0.00 -0.26 0.00 0.00 58.87 57.66 1jba n SER 6 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1jba n SER 6 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1jba h TRP 7 N -0.20 0.55 -0.96 7.33 4.06 -1.98 -3.34 115.95 121.41 1jba h TRP 7 Ca 0.00 -0.40 0.24 0.00 2.06 0.00 0.00 58.89 60.79 1jba h TRP 7 Cb 0.00 -0.02 -0.18 0.00 -1.00 0.00 0.00 29.16 27.96 1jba h TRP 7 CO 0.00 1.66 -0.08 -1.91 -3.56 0.00 0.00 178.44 174.56 1jba n GLU 8 N -3.70 -0.08 0.25 0.49 2.13 -1.26 0.15 120.64 118.62 1jba n GLU 8 Ca -0.27 1.45 -0.10 0.00 0.66 0.00 0.00 57.16 58.90 1jba n GLU 8 Cb 1.00 -2.26 -0.05 0.00 0.27 0.00 0.00 31.44 30.40 1jba n GLU 8 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1jba h GLU 9 N 0.00 -0.64 -1.32 5.31 4.81 -1.97 0.10 114.58 120.88 1jba h GLU 9 Ca 0.54 0.04 0.39 0.00 -0.13 0.00 0.00 59.36 60.20 1jba h GLU 9 Cb 1.01 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 1jba h GLU 9 CO -0.93 -0.42 0.90 0.00 -0.73 0.00 0.00 179.01 177.83 1jba h ALA 10 N -1.51 2.94 0.02 2.92 0.00 -1.31 0.87 119.26 123.19 1jba h ALA 10 Ca -0.07 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 1jba h ALA 10 Cb 0.51 0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1jba h ALA 10 CO 0.11 -1.41 -1.07 0.93 0.00 0.00 0.00 179.25 177.81 1jba h GLU 11 N 0.11 0.66 -0.00 0.00 4.39 -0.08 -3.01 114.58 116.65 1jba h GLU 11 Ca 0.70 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1jba h GLU 11 Cb 2.42 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 31.29 1jba h GLU 11 CO -0.18 1.32 0.00 -1.91 -1.16 0.00 0.00 179.01 177.07 1jba n GLU 12 N -3.83 1.00 -0.00 2.33 2.13 0.28 -2.70 120.64 119.85 1jba n GLU 12 Ca -0.11 -0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.80 1jba n GLU 12 Cb 0.90 -1.17 -0.12 0.00 0.27 0.00 0.00 31.44 31.32 1jba n GLU 12 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1jba n ASN 13 N -0.66 0.91 0.00 4.31 5.15 0.26 -5.03 115.26 120.20 1jba n ASN 13 Ca 0.08 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 1jba n ASN 13 Cb 0.04 1.06 0.00 0.00 -0.53 0.00 0.00 39.78 40.34 1jba n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jba n GLY 14 N 1.47 1.34 3.69 8.20 0.00 -1.10 -4.86 105.19 113.94 1jba n GLY 14 Ca 0.03 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ALA 15 N -1.41 3.35 0.68 4.61 0.00 -1.26 -4.84 121.76 122.88 1jba s ALA 15 Ca 0.00 0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 1jba s ALA 15 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1jba s ALA 15 CO 0.00 -0.44 1.28 0.14 0.00 0.00 0.00 175.76 176.74 1jba s VAL 16 N 1.59 2.04 0.00 0.00 -7.23 -1.26 -5.00 120.40 110.54 1jba s VAL 16 Ca 0.46 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 1jba s VAL 16 Cb -0.19 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1jba s VAL 16 CO 0.20 -0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.59 1jba n GLY 17 N 0.81 1.90 2.18 2.32 0.00 -1.26 -4.93 105.19 106.21 1jba n GLY 17 Ca 0.15 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 18 N -3.00 -0.63 -2.93 4.61 0.00 -1.26 -0.16 120.51 117.14 1jba n ALA 18 Ca 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 1jba n ALA 18 Cb 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N -1.65 -0.96 -0.86 0.00 0.00 -1.26 -4.86 120.51 110.92 1jba n ALA 19 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1jba n ALA 19 Cb 0.47 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1jba n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jba n ASP 20 N -1.95 0.00 -0.07 0.00 8.00 0.78 -1.22 116.55 122.09 1jba n ASP 20 Ca -0.05 0.56 -0.07 0.00 0.71 0.00 0.00 54.79 55.94 1jba n ASP 20 Cb 0.55 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jba h ALA 21 N -2.00 0.26 -0.74 2.24 0.00 -1.89 -1.89 119.26 115.24 1jba h ALA 21 Ca 0.00 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.12 1jba h ALA 21 Cb 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 1jba h ALA 21 CO 0.00 -0.39 -0.21 0.00 0.00 0.00 0.00 179.25 178.66 1jba h ALA 22 N 1.21 0.44 -0.92 0.00 0.00 -1.93 1.04 119.26 119.11 1jba h ALA 22 Ca 0.13 0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1jba h ALA 22 Cb 0.15 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1jba h ALA 22 CO -0.19 -0.44 0.60 0.37 0.00 0.00 0.00 179.25 179.59 1jba h GLN 23 N -0.01 1.11 0.00 0.00 5.75 -0.45 0.14 115.11 121.64 1jba h GLN 23 Ca 0.35 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 1jba h GLN 23 Cb 0.55 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 28.85 1jba h GLN 23 CO -0.77 0.73 -0.11 -0.07 -2.65 0.00 0.00 178.83 175.96 1jba h LEU 24 N 1.14 0.00 0.46 -2.39 4.07 0.16 -2.56 115.31 116.19 1jba h LEU 24 Ca 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.31 1jba h LEU 24 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1jba h LEU 24 CO -0.13 0.11 -0.22 -0.61 -1.08 0.00 0.00 178.44 176.52 1jba h GLN 25 N 0.00 -0.59 -0.36 1.13 4.15 0.29 0.55 115.11 120.26 1jba h GLN 25 Ca -0.00 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1jba h GLN 25 Cb 0.48 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1jba h GLN 25 CO 0.01 -0.32 0.13 1.49 -1.93 0.00 0.00 178.83 178.21 1jba h GLU 26 N -0.78 0.52 0.00 1.69 4.81 -1.40 -0.21 114.58 119.21 1jba h GLU 26 Ca -0.06 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1jba h GLU 26 Cb 0.55 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 1jba h GLU 26 CO 0.10 0.44 -0.14 2.35 -0.73 0.00 0.00 179.01 181.03 1jba h TRP 27 N 0.51 0.00 0.15 0.92 7.01 -1.15 -2.42 115.95 120.97 1jba h TRP 27 Ca 0.13 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.83 1jba h TRP 27 Cb 0.13 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.20 1jba h TRP 27 CO 0.01 0.14 -1.38 -0.92 -2.79 0.00 0.00 178.44 173.50 1jba h TYR 28 N 0.00 0.57 -0.16 2.65 3.20 0.18 -2.31 116.97 121.10 1jba h TYR 28 Ca -0.00 -0.41 -0.15 0.00 3.14 0.00 0.00 58.73 61.30 1jba h TYR 28 Cb 0.77 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 1jba h TYR 28 CO 0.00 1.36 -0.54 -0.22 -1.64 0.00 0.00 178.16 177.12 1jba h LYS 29 N 0.08 0.48 -0.04 1.82 1.63 -1.13 -2.34 116.57 117.08 1jba h LYS 29 Ca -0.19 -0.30 -0.19 0.00 -0.85 0.00 0.00 60.65 59.12 1jba h LYS 29 Cb 2.02 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 33.68 1jba h LYS 29 CO 0.20 0.90 -0.81 -0.22 -3.45 0.00 0.00 179.45 176.07 1jba h LYS 30 N 0.37 0.34 0.00 1.90 1.63 -1.51 -2.40 116.57 116.91 1jba h LYS 30 Ca 0.01 -0.32 -0.06 0.00 -0.85 0.00 0.00 60.65 59.43 1jba h LYS 30 Cb 1.07 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1jba h LYS 30 CO 0.10 0.99 -0.29 0.35 -3.45 0.00 0.00 179.45 177.15 1jba h PHE 31 N 0.22 0.00 -0.00 1.91 3.57 -1.29 -2.21 116.94 119.13 1jba h PHE 31 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1jba h PHE 31 Cb 1.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1jba h PHE 31 CO 0.04 0.29 -0.48 1.28 -2.23 0.00 0.00 178.31 177.21 1jba n LEU 32 N -3.79 0.50 0.21 0.59 4.77 -0.89 -3.74 117.00 114.65 1jba n LEU 32 Ca -0.01 0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1jba n LEU 32 Cb 0.38 -0.25 0.34 0.00 -2.33 0.00 0.00 43.42 41.56 1jba n LEU 32 CO 0.35 0.12 0.75 -0.33 -1.33 0.00 0.00 177.39 176.96 1jba h GLU 33 N 0.02 0.00 -0.02 3.23 4.39 -0.87 -2.64 114.58 118.70 1jba h GLU 33 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jba h GLU 33 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1jba h GLU 33 CO 0.00 0.22 -0.10 0.39 -1.16 0.00 0.00 179.01 178.37 1jba n GLU 34 N -3.27 1.52 -2.96 2.33 1.02 -1.24 -4.71 120.64 113.34 1jba n GLU 34 Ca 0.01 -0.99 0.03 0.00 -0.02 0.00 0.00 57.16 56.19 1jba n GLU 34 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba s PRO 36 N 2.23 2.00 0.00 0.00 0.02 -1.12 -3.61 135.00 134.51 1jba s PRO 36 Ca 0.18 0.70 0.00 0.00 0.02 0.00 0.00 61.00 61.89 1jba s PRO 36 Cb -0.00 -4.71 0.00 0.00 0.02 0.00 0.00 34.50 29.80 1jba s PRO 36 CO -0.16 -3.74 0.00 -1.13 -0.33 0.00 0.00 177.00 171.64 1jba n SER 37 N 16.50 0.00 -0.02 2.53 3.41 -1.26 -5.01 113.62 129.76 1jba n SER 37 Ca 0.40 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1jba n SER 37 Cb 0.49 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jba n GLY 38 N -0.83 1.09 3.27 5.00 0.00 -1.24 -5.07 105.19 107.40 1jba n GLY 38 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1jba n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jba s THR 39 N -2.03 0.11 0.04 2.61 -4.23 -1.26 -4.19 115.64 106.69 1jba s THR 39 Ca 0.00 -1.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.55 1jba s THR 39 Cb 0.00 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.44 1jba s THR 39 CO 0.00 -0.48 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.21 1jba s LEU 40 N -2.86 2.18 0.21 4.79 2.96 0.23 -4.95 118.68 121.23 1jba s LEU 40 Ca 0.06 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1jba s LEU 40 Cb 0.04 -0.75 -0.05 0.00 0.50 0.00 0.00 46.19 45.93 1jba s LEU 40 CO -0.09 0.08 -0.14 0.12 -1.32 0.00 0.00 176.35 174.99 1jba s PHE 41 N -0.85 1.77 0.00 5.38 5.36 -1.26 -1.50 117.98 126.88 1jba s PHE 41 Ca 0.04 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 1jba s PHE 41 Cb -0.08 -0.83 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 1jba s PHE 41 CO 0.02 0.38 0.49 -1.33 -1.46 0.00 0.00 175.22 173.32 1jba n MET 42 N -0.41 0.00 -0.32 10.12 2.81 -1.26 0.05 117.12 128.11 1jba n MET 42 Ca -0.08 0.49 0.11 0.00 -1.81 0.00 0.00 57.70 56.42 1jba n MET 42 Cb 0.60 -0.78 0.29 0.00 -0.71 0.00 0.00 33.22 32.62 1jba n MET 42 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1jba h HIS 43 N 0.00 0.85 0.00 2.03 2.07 -2.01 0.93 115.15 119.03 1jba h HIS 43 Ca 0.00 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1jba h HIS 43 Cb 0.00 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 29.74 1jba h HIS 43 CO -0.39 0.13 0.00 -1.91 -3.07 0.00 0.00 177.93 172.69 1jba n GLU 44 N -4.88 0.15 -0.04 5.12 4.07 0.11 -2.35 120.64 122.82 1jba n GLU 44 Ca 0.21 0.48 -0.01 0.00 -0.06 0.00 0.00 57.16 57.78 1jba n GLU 44 Cb 0.56 -1.85 -0.00 0.00 -0.06 0.00 0.00 31.44 30.09 1jba n GLU 44 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1jba h PHE 45 N 0.00 0.00 -1.00 4.31 3.04 0.30 -2.71 116.94 120.88 1jba h PHE 45 Ca 0.00 0.00 0.22 0.00 3.98 0.00 0.00 57.97 62.17 1jba h PHE 45 Cb 0.22 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.63 1jba h PHE 45 CO 0.00 0.00 0.62 1.57 -2.02 0.00 0.00 178.31 178.48 1jba h LYS 46 N -0.74 0.59 0.20 1.11 2.10 -1.44 0.84 116.57 119.23 1jba h LYS 46 Ca 0.00 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1jba h LYS 46 Cb 0.08 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1jba h LYS 46 CO 0.00 0.39 -0.09 0.00 -2.00 0.00 0.00 179.45 177.74 1jba h ARG 47 N 0.61 -0.25 0.00 0.07 2.47 -1.60 0.25 114.38 115.92 1jba h ARG 47 Ca 0.58 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.32 1jba h ARG 47 Cb 1.12 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1jba h ARG 47 CO -0.35 -0.17 0.00 0.34 0.56 0.00 0.00 179.97 180.35 1jba n PHE 48 N -3.16 0.37 -0.01 3.04 -0.00 -1.02 -1.11 117.46 115.56 1jba n PHE 48 Ca -0.03 0.16 -0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1jba n PHE 48 Cb 0.10 -0.75 -0.00 0.00 -0.00 0.00 0.00 39.48 38.83 1jba n PHE 48 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1jba n PHE 49 N -1.85 0.08 0.50 -5.13 7.35 0.29 -4.77 117.46 113.92 1jba n PHE 49 Ca 0.02 0.03 0.05 0.00 -0.76 0.00 0.00 57.45 56.79 1jba n PHE 49 Cb 0.14 -0.26 -0.03 0.00 0.35 0.00 0.00 39.48 39.68 1jba n PHE 49 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1jba n LYS 50 N -2.51 2.75 -3.95 -4.13 4.76 -0.84 -5.01 118.16 109.23 1jba n LYS 50 Ca -0.01 -0.33 -0.32 0.00 -2.87 0.00 0.00 58.31 54.79 1jba n LYS 50 Cb 0.03 -1.06 -0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1jba n LYS 50 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1jba n VAL 51 N -0.73 -1.62 -1.64 -0.18 3.14 0.84 -4.72 118.33 113.41 1jba n VAL 51 Ca 0.03 -0.41 -0.46 0.00 -2.96 0.00 0.00 64.34 60.54 1jba n VAL 51 Cb 0.20 -1.40 -0.03 0.00 -1.06 0.00 0.00 33.84 31.55 1jba n VAL 51 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1jba n PRO 52 N -3.84 1.73 -0.03 1.45 -0.02 -1.26 -4.90 135.00 128.14 1jba n PRO 52 Ca -0.11 0.62 -0.01 0.00 -2.02 0.00 0.00 63.50 61.98 1jba n PRO 52 Cb 0.42 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 1jba n PRO 52 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jba n ASP 53 N 2.18 2.84 -1.89 2.55 5.75 -1.26 -4.49 116.55 122.24 1jba n ASP 53 Ca 0.13 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.94 1jba n ASP 53 Cb 0.29 1.00 0.37 0.00 -1.03 0.00 0.00 41.12 41.75 1jba n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1jba n ASN 54 N -2.12 5.40 0.00 -1.12 4.05 -1.26 -5.05 115.26 115.15 1jba n ASN 54 Ca -0.09 -3.04 0.00 0.00 0.45 0.00 0.00 54.58 51.90 1jba n ASN 54 Cb 0.57 -0.70 0.00 0.00 1.23 0.00 0.00 39.78 40.88 1jba n ASN 54 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1jba n GLU 55 N 0.33 0.00 0.00 1.20 0.28 -1.26 -4.57 120.64 116.61 1jba n GLU 55 Ca 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1jba n GLU 55 Cb 1.25 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.12 1jba n GLU 55 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1jba n GLU 56 N 0.00 0.00 -1.11 3.44 1.02 -1.26 -4.57 120.64 118.16 1jba n GLU 56 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1jba n GLU 56 Cb 0.00 -3.32 0.19 0.00 -0.02 0.00 0.00 31.44 28.28 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba n ALA 57 N 0.86 5.24 0.18 0.62 0.00 -1.26 -4.23 120.51 121.92 1jba n ALA 57 Ca 0.00 -2.98 0.08 0.00 0.00 0.00 0.00 53.44 50.54 1jba n ALA 57 Cb 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 1jba n ALA 57 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1jba n THR 58 N -1.14 0.00 -0.07 0.00 5.66 -1.26 -4.30 114.28 113.16 1jba n THR 58 Ca 0.52 -0.31 -0.14 0.00 -3.05 0.00 0.00 64.05 61.08 1jba n THR 58 Cb 1.49 0.36 -0.02 0.00 -1.55 0.00 0.00 70.33 70.60 1jba n THR 58 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1jba h GLN 59 N 0.00 0.82 -0.03 1.09 4.20 -1.97 -2.86 115.11 116.36 1jba h GLN 59 Ca 0.00 -0.51 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 1jba h GLN 59 Cb 0.63 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1jba h GLN 59 CO 0.00 1.14 0.01 -0.92 -0.67 0.00 0.00 178.83 178.39 1jba h TYR 60 N 0.64 0.05 -0.43 2.96 3.20 -1.85 -2.62 116.97 118.91 1jba h TYR 60 Ca 0.02 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1jba h TYR 60 Cb 1.12 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 39.29 1jba h TYR 60 CO 0.07 0.27 -0.13 0.28 -1.64 0.00 0.00 178.16 177.01 1jba h VAL 61 N -0.19 0.53 -0.62 1.81 2.07 -1.74 0.21 116.25 118.33 1jba h VAL 61 Ca 0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1jba h VAL 61 Cb 0.25 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1jba h VAL 61 CO 0.00 0.00 0.17 -0.08 0.02 0.00 0.00 177.57 177.68 1jba h GLU 62 N -0.03 0.30 -0.95 1.57 4.57 -1.41 0.24 114.58 118.88 1jba h GLU 62 Ca 0.21 -0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.58 1jba h GLU 62 Cb 0.34 -0.07 -0.08 0.00 -0.16 0.00 0.00 28.75 28.79 1jba h GLU 62 CO -0.46 0.20 0.62 0.00 -1.18 0.00 0.00 179.01 178.19 1jba h ALA 63 N 1.47 2.08 0.82 2.92 0.00 -0.58 -1.84 119.26 124.13 1jba h ALA 63 Ca 0.32 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1jba h ALA 63 Cb 0.47 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jba h ALA 63 CO -0.38 -0.40 -0.39 1.98 0.00 0.00 0.00 179.25 180.06 1jba h MET 64 N 0.50 -1.06 -0.89 0.00 1.85 -0.01 -1.84 114.93 113.48 1jba h MET 64 Ca 0.52 0.07 0.26 0.00 -0.61 0.00 0.00 59.70 59.94 1jba h MET 64 Cb 1.15 0.24 -0.04 0.00 0.43 0.00 0.00 31.60 33.39 1jba h MET 64 CO -0.24 -0.71 0.84 0.35 -0.40 0.00 0.00 176.91 176.75 1jba h PHE 65 N -1.14 0.00 0.16 1.39 3.04 -1.09 1.64 116.94 120.93 1jba h PHE 65 Ca -0.11 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 1jba h PHE 65 Cb 0.84 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.35 1jba h PHE 65 CO 0.03 0.00 -0.08 -0.09 -2.02 0.00 0.00 178.31 176.16 1jba h ARG 66 N 0.00 -0.20 -0.00 1.11 2.43 -0.84 -3.34 114.38 113.53 1jba h ARG 66 Ca 0.42 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1jba h ARG 66 Cb 2.10 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.69 1jba h ARG 66 CO -0.00 -0.14 -0.11 0.00 -1.51 0.00 0.00 179.97 178.21 1jba n ALA 67 N -2.45 2.65 -1.00 2.80 0.00 -0.74 -4.47 120.51 117.29 1jba n ALA 67 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1jba n ALA 67 Cb 0.08 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1jba n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jba n PHE 68 N -1.37 0.00 -3.67 0.00 7.35 0.55 -4.68 117.46 115.64 1jba n PHE 68 Ca 0.09 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.56 1jba n PHE 68 Cb 0.31 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.13 1jba n PHE 68 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 1jba s ASP 69 N -1.20 6.27 -0.29 -2.13 -4.77 -1.25 -5.05 116.67 108.24 1jba s ASP 69 Ca 0.00 0.21 -0.21 0.00 -3.30 0.00 0.00 52.55 49.24 1jba s ASP 69 Cb 0.00 -1.87 0.14 0.00 -1.09 0.00 0.00 42.92 40.11 1jba s ASP 69 CO 0.00 -0.21 1.08 -0.89 0.70 0.00 0.00 175.17 175.85 1jba s THR 70 N -2.15 0.00 0.00 2.11 2.01 -1.26 -4.68 115.64 111.67 1jba s THR 70 Ca 0.38 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1jba s THR 70 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1jba s THR 70 CO 0.32 0.00 0.00 -0.46 -0.69 0.00 0.00 174.62 173.79 1jba n ASN 71 N 2.72 0.00 0.00 3.53 2.04 -1.26 -5.00 115.26 117.29 1jba n ASN 71 Ca -0.15 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.99 1jba n ASN 71 Cb 0.57 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jba n GLY 72 N -0.09 1.42 0.09 4.83 0.00 -1.26 -5.00 105.19 105.19 1jba n GLY 72 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1jba n GLY 72 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 73 N 0.00 0.97 -2.49 1.61 5.75 -1.26 -5.01 116.55 116.12 1jba n ASP 73 Ca 0.00 -0.01 -0.18 0.00 -0.01 0.00 0.00 54.79 54.59 1jba n ASP 73 Cb 0.00 0.77 0.04 0.00 -1.03 0.00 0.00 41.12 40.89 1jba n ASP 73 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1jba n ASN 74 N -2.69 -5.16 -3.74 -1.12 4.05 -1.26 -5.00 115.26 100.34 1jba n ASN 74 Ca -0.29 -0.27 -0.13 0.00 0.45 0.00 0.00 54.58 54.34 1jba n ASN 74 Cb 1.04 -3.95 -0.10 0.00 1.23 0.00 0.00 39.78 38.00 1jba n ASN 74 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1jba s THR 75 N -3.08 0.00 -0.38 -0.44 -1.32 -1.26 -4.87 115.64 104.28 1jba s THR 75 Ca 0.29 -0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.64 1jba s THR 75 Cb -0.13 -0.56 0.03 0.00 -1.51 0.00 0.00 72.50 70.34 1jba s THR 75 CO 0.35 -0.01 0.22 -0.63 -2.21 0.00 0.00 174.62 172.35 1jba s ILE 76 N 0.16 4.58 0.65 5.08 -1.09 -0.56 -4.94 121.20 125.08 1jba s ILE 76 Ca -0.00 -0.92 -0.11 0.00 -2.23 0.00 0.00 60.65 57.38 1jba s ILE 76 Cb -0.03 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1jba s ILE 76 CO 0.01 -0.28 1.04 -0.62 -1.23 0.00 0.00 174.94 173.86 1jba s ASP 77 N 1.64 5.87 0.49 3.58 -1.08 -1.26 -0.60 116.67 125.31 1jba s ASP 77 Ca 0.02 1.52 0.36 0.00 -0.52 0.00 0.00 52.55 53.93 1jba s ASP 77 Cb -0.20 -2.48 1.50 0.00 -1.46 0.00 0.00 42.92 40.28 1jba s ASP 77 CO 0.06 -1.11 1.66 0.15 0.52 0.00 0.00 175.17 176.45 1jba h PHE 78 N -0.42 0.29 0.21 -5.34 3.57 -1.93 0.37 116.94 113.69 1jba h PHE 78 Ca -0.44 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 1jba h PHE 78 Cb 1.20 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1jba h PHE 78 CO 0.64 -0.08 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.46 1jba h LEU 79 N 0.08 -0.24 -0.90 0.59 4.07 -1.94 -1.24 115.31 115.72 1jba h LEU 79 Ca 0.78 0.01 0.25 0.00 0.08 0.00 0.00 57.88 59.00 1jba h LEU 79 Cb 2.74 0.06 -0.15 0.00 1.08 0.00 0.00 40.66 44.39 1jba h LEU 79 CO -0.22 0.19 0.22 -0.33 -1.08 0.00 0.00 178.44 177.23 1jba h GLU 80 N -1.01 0.16 0.77 1.13 5.08 -1.50 0.39 114.58 119.60 1jba h GLU 80 Ca -0.03 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1jba h GLU 80 Cb 0.22 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1jba h GLU 80 CO 0.05 0.10 -0.37 -0.92 -1.00 0.00 0.00 179.01 176.87 1jba h TYR 81 N 0.16 -0.96 -0.31 4.33 3.20 -1.06 -1.03 116.97 121.30 1jba h TYR 81 Ca 0.58 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.52 1jba h TYR 81 Cb 1.21 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 1jba h TYR 81 CO -0.29 -0.58 0.52 0.28 -1.64 0.00 0.00 178.16 176.45 1jba h VAL 82 N -1.10 0.19 0.67 1.81 2.07 0.59 -0.48 116.25 120.00 1jba h VAL 82 Ca -0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1jba h VAL 82 Cb 0.80 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1jba h VAL 82 CO 0.17 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 177.44 1jba h ALA 83 N 1.25 -0.90 -0.70 1.67 0.00 0.97 -2.76 119.26 118.79 1jba h ALA 83 Ca 0.15 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1jba h ALA 83 Cb 1.19 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 1jba h ALA 83 CO -0.00 -0.87 0.21 0.00 0.00 0.00 0.00 179.25 178.59 1jba h ALA 84 N -1.08 0.91 -0.58 0.00 0.00 -0.82 -2.03 119.26 115.66 1jba h ALA 84 Ca -0.09 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1jba h ALA 84 Cb 0.72 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1jba h ALA 84 CO 0.15 -0.28 -0.35 1.25 0.00 0.00 0.00 179.25 180.03 1jba h LEU 85 N 0.34 -1.27 -0.72 0.00 7.12 -1.23 0.42 115.31 119.96 1jba h LEU 85 Ca 0.38 0.19 0.15 0.00 0.13 0.00 0.00 57.88 58.73 1jba h LEU 85 Cb 0.59 0.56 -0.10 0.00 -0.53 0.00 0.00 40.66 41.18 1jba h LEU 85 CO -0.43 -0.14 0.20 -1.13 -0.13 0.00 0.00 178.44 176.81 1jba h ASN 86 N -0.00 0.07 0.00 1.25 -0.73 -1.08 0.34 115.58 115.42 1jba h ASN 86 Ca 0.09 0.13 0.00 0.00 1.87 0.00 0.00 56.30 58.40 1jba h ASN 86 Cb 0.24 0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.00 1jba h ASN 86 CO -0.55 0.00 0.00 -0.11 -0.37 0.00 0.00 177.43 176.40 1jba n LEU 87 N -5.12 0.00 0.00 0.34 -0.00 0.12 -2.03 117.00 110.31 1jba n LEU 87 Ca 0.13 0.96 0.00 0.00 -0.00 0.00 0.00 56.01 57.11 1jba n LEU 87 Cb 0.43 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1jba n LEU 87 CO 0.15 -0.46 0.46 0.52 -0.00 0.00 0.00 177.39 178.05 1jba n VAL 88 N -2.03 0.00 -1.59 1.96 0.31 0.25 -2.18 118.33 115.05 1jba n VAL 88 Ca 0.00 1.41 -0.17 0.00 -0.01 0.00 0.00 64.34 65.57 1jba n VAL 88 Cb 0.00 -2.41 -0.06 0.00 -0.91 0.00 0.00 33.84 30.46 1jba n VAL 88 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jba s LEU 89 N -3.47 2.95 -0.20 7.52 1.02 0.12 -3.94 118.68 122.67 1jba s LEU 89 Ca 0.00 0.17 -0.03 0.00 0.02 0.00 0.00 54.13 54.29 1jba s LEU 89 Cb 0.00 -2.54 0.01 0.00 0.02 0.00 0.00 46.19 43.68 1jba s LEU 89 CO 0.00 -3.70 0.05 -1.14 0.02 0.00 0.00 176.35 171.58 1jba n ARG 90 N 8.85 -2.92 -0.23 1.70 3.00 -1.26 -4.38 116.66 121.42 1jba n ARG 90 Ca 0.45 2.42 0.00 0.00 -0.00 0.00 0.00 57.85 60.72 1jba n ARG 90 Cb 0.45 -4.10 0.00 0.00 0.00 0.00 0.00 32.46 28.81 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jba n GLY 91 N 1.17 6.96 0.00 5.14 0.00 -0.86 -4.52 105.19 113.08 1jba n GLY 91 Ca -0.09 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1jba n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jba n THR 92 N -0.01 0.00 0.00 2.61 -2.24 -1.26 -5.02 114.28 108.36 1jba n THR 92 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jba n THR 92 Cb 0.00 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 1jba n THR 92 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jba n LEU 93 N 0.00 0.00 -0.57 3.22 4.32 -1.26 -4.69 117.00 118.02 1jba n LEU 93 Ca 0.00 0.00 0.44 0.00 -0.02 0.00 0.00 56.01 56.43 1jba n LEU 93 Cb 0.00 0.00 0.70 0.00 -1.62 0.00 0.00 43.42 42.50 1jba n LEU 93 CO 0.00 0.00 1.27 -1.84 -1.22 0.00 0.00 177.39 175.60 1jba n GLU 94 N 0.00 -0.01 0.03 3.23 0.00 -1.26 0.29 120.64 122.92 1jba n GLU 94 Ca 0.00 1.04 0.20 0.00 0.00 0.00 0.00 57.16 58.40 1jba n GLU 94 Cb 0.00 -2.26 0.50 0.00 0.00 0.00 0.00 31.44 29.67 1jba n GLU 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1jba h HIS 95 N 0.00 0.00 0.00 -1.84 2.76 -2.00 2.29 115.15 116.36 1jba h HIS 95 Ca 0.84 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 59.01 1jba h HIS 95 Cb 3.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 32.10 1jba h HIS 95 CO -0.00 0.00 0.00 1.63 -1.30 0.00 0.00 177.93 178.26 1jba n LYS 96 N -3.20 0.03 -0.03 5.26 5.02 0.15 -2.68 118.16 122.70 1jba n LYS 96 Ca 0.12 0.14 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 1jba n LYS 96 Cb 1.06 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 34.42 1jba n LYS 96 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1jba h LEU 97 N 0.00 -0.04 -0.62 -0.35 3.38 0.37 -2.47 115.31 115.58 1jba h LEU 97 Ca 0.00 -0.67 -0.14 0.00 0.09 0.00 0.00 57.88 57.16 1jba h LEU 97 Cb 0.42 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jba h LEU 97 CO 0.00 0.72 -0.37 0.07 0.09 0.00 0.00 178.44 178.95 1jba h LYS 98 N -0.87 0.67 0.49 1.13 2.10 -1.66 -0.09 116.57 118.34 1jba h LYS 98 Ca -0.00 -0.33 -0.02 0.00 -2.00 0.00 0.00 60.65 58.29 1jba h LYS 98 Cb 0.71 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 1jba h LYS 98 CO 0.01 0.94 -0.24 2.35 -2.00 0.00 0.00 179.45 180.51 1jba h TRP 99 N 0.56 -0.61 -0.82 0.07 7.01 -1.62 -1.11 115.95 119.43 1jba h TRP 99 Ca 0.05 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 1jba h TRP 99 Cb 0.89 0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 28.12 1jba h TRP 99 CO 0.04 -0.32 0.35 0.00 -2.79 0.00 0.00 178.44 175.73 1jba h THR 100 N -0.79 1.26 -0.31 2.65 1.03 -1.46 -1.64 112.91 113.65 1jba h THR 100 Ca -0.07 -0.79 0.06 0.00 -0.01 0.00 0.00 66.41 65.61 1jba h THR 100 Cb 0.56 0.25 -0.01 0.00 -1.07 0.00 0.00 68.15 67.88 1jba h THR 100 CO 0.11 0.33 0.21 0.15 -0.01 0.00 0.00 175.52 176.31 1jba h PHE 101 N 1.18 0.13 -0.15 0.00 3.04 -0.87 -1.75 116.94 118.52 1jba h PHE 101 Ca 0.28 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.15 1jba h PHE 101 Cb 0.18 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 1jba h PHE 101 CO 0.02 0.07 -0.23 0.87 -2.02 0.00 0.00 178.31 177.02 1jba h LYS 102 N 0.13 0.42 -0.64 1.11 1.57 -0.22 -3.16 116.57 115.78 1jba h LYS 102 Ca 0.14 -0.25 0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1jba h LYS 102 Cb 0.39 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.64 1jba h LYS 102 CO -0.02 0.84 0.16 0.82 -0.57 0.00 0.00 179.45 180.68 1jba h ILE 103 N 0.04 0.63 0.00 1.86 1.08 -1.04 0.97 117.51 121.05 1jba h ILE 103 Ca 0.01 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1jba h ILE 103 Cb 0.80 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1jba h ILE 103 CO 0.05 0.05 0.00 -1.22 -0.69 0.00 0.00 178.15 176.35 1jba n TYR 104 N -5.11 0.00 -0.07 1.37 4.01 -1.07 -1.74 117.16 114.55 1jba n TYR 104 Ca 0.10 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.62 1jba n TYR 104 Cb 0.35 -0.40 -0.12 0.00 -0.31 0.00 0.00 39.34 38.86 1jba n TYR 104 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1jba n ASP 105 N -1.40 2.01 -0.62 7.72 -0.08 0.33 -4.58 116.55 119.93 1jba n ASP 105 Ca 0.01 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1jba n ASP 105 Cb 0.04 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 42.69 1jba n ASP 105 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1jba n LYS 106 N -3.79 -0.67 0.00 -0.67 -0.00 -0.71 -4.27 118.16 108.05 1jba n LYS 106 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.94 1jba n LYS 106 Cb 0.92 -2.55 0.00 0.00 -0.00 0.00 0.00 35.03 33.40 1jba n LYS 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jba n ASP 107 N 0.69 0.00 0.00 -5.58 5.68 -1.26 -4.91 116.55 111.18 1jba n ASP 107 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jba n ASP 107 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1jba n ASP 107 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1jba n ARG 108 N 0.00 0.00 0.00 0.11 0.63 -1.26 -5.03 116.66 111.11 1jba n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1jba n ARG 108 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1jba n ARG 108 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1jba n ASN 109 N 0.00 0.00 0.00 6.15 4.13 -1.26 -4.96 115.26 119.32 1jba n ASN 109 Ca 0.00 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.26 1jba n ASN 109 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jba n GLY 110 N 0.00 0.00 3.24 7.41 0.00 -1.26 -4.79 105.19 109.79 1jba n GLY 110 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jba n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ILE 112 N -3.14 5.20 0.07 0.00 1.01 -0.99 -4.85 121.20 118.50 1jba s ILE 112 Ca -0.01 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1jba s ILE 112 Cb 0.01 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1jba s ILE 112 CO -0.07 -0.30 -0.07 -0.62 0.00 0.00 0.00 174.94 173.88 1jba s ASP 113 N -3.88 0.95 0.55 3.58 2.15 -1.26 -2.49 116.67 116.27 1jba s ASP 113 Ca 0.34 -0.83 0.36 0.00 0.43 0.00 0.00 52.55 52.85 1jba s ASP 113 Cb -0.09 0.08 1.94 0.00 -0.30 0.00 0.00 42.92 44.55 1jba s ASP 113 CO 0.29 -0.38 2.09 0.08 -0.17 0.00 0.00 175.17 177.07 1jba h ARG 114 N 3.57 0.00 0.05 4.34 0.11 -1.92 -2.02 114.38 118.51 1jba h ARG 114 Ca -0.35 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.62 1jba h ARG 114 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1jba h ARG 114 CO 0.56 0.00 -0.50 0.37 0.10 0.00 0.00 179.97 180.49 1jba h GLN 115 N 0.00 0.12 -0.63 0.08 4.15 -1.96 -2.53 115.11 114.35 1jba h GLN 115 Ca 0.00 -0.20 0.11 0.00 0.77 0.00 0.00 58.65 59.33 1jba h GLN 115 Cb 0.06 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1jba h GLN 115 CO 0.00 1.09 0.42 0.93 -1.93 0.00 0.00 178.83 179.35 1jba h GLU 116 N -0.74 0.37 0.00 1.69 5.08 -1.68 -2.13 114.58 117.17 1jba h GLU 116 Ca -0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jba h GLU 116 Cb 1.30 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1jba h GLU 116 CO 0.03 0.25 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.22 1jba h LEU 117 N 0.39 -0.01 -1.81 1.33 3.38 -1.55 -1.70 115.31 115.33 1jba h LEU 117 Ca 0.29 -0.77 0.34 0.00 0.09 0.00 0.00 57.88 57.84 1jba h LEU 117 Cb 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1jba h LEU 117 CO -0.08 0.77 0.96 0.25 0.09 0.00 0.00 178.44 180.44 1jba h LEU 118 N -0.79 0.00 0.22 1.67 5.85 -0.95 1.67 115.31 122.98 1jba h LEU 118 Ca -0.00 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1jba h LEU 118 Cb 0.77 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.83 1jba h LEU 118 CO 0.00 0.00 -1.44 -0.78 -0.34 0.00 0.00 178.44 175.88 1jba h ASP 119 N 0.00 0.72 0.42 1.25 3.58 -1.28 -2.60 116.42 118.51 1jba h ASP 119 Ca 0.56 -0.93 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 1jba h ASP 119 Cb 2.48 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 43.30 1jba h ASP 119 CO -0.01 1.68 -0.20 0.40 -2.88 0.00 0.00 179.24 178.24 1jba h ILE 120 N 0.03 0.00 -0.76 2.25 1.08 0.31 -2.61 117.51 117.81 1jba h ILE 120 Ca -0.26 -0.36 0.17 0.00 -0.39 0.00 0.00 64.86 64.01 1jba h ILE 120 Cb 2.06 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 35.67 1jba h ILE 120 CO 0.23 0.00 -0.08 0.58 -0.69 0.00 0.00 178.15 178.18 1jba h VAL 121 N -0.92 0.28 -1.00 1.67 2.07 -0.18 1.35 116.25 119.52 1jba h VAL 121 Ca -0.06 -0.02 0.23 0.00 0.82 0.00 0.00 66.70 67.67 1jba h VAL 121 Cb 0.43 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.33 1jba h VAL 121 CO 0.09 0.01 0.62 -0.33 0.02 0.00 0.00 177.57 177.99 1jba h GLU 122 N 0.05 0.55 -0.16 1.57 4.39 -1.47 0.93 114.58 120.44 1jba h GLU 122 Ca 0.40 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.96 1jba h GLU 122 Cb 0.67 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1jba h GLU 122 CO -0.73 0.37 -0.35 1.03 -1.16 0.00 0.00 179.01 178.17 1jba h SER 123 N 0.57 0.35 0.27 1.42 0.87 0.21 -1.70 113.55 115.54 1jba h SER 123 Ca 0.58 -0.13 -0.22 0.00 -1.23 0.00 0.00 61.79 60.79 1jba h SER 123 Cb 1.18 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1jba h SER 123 CO -0.35 0.68 -0.89 0.40 -0.53 0.00 0.00 176.83 176.14 1jba h ILE 124 N 0.29 1.38 -0.44 2.23 5.03 0.18 -2.68 117.51 123.51 1jba h ILE 124 Ca 0.03 -2.34 -0.09 0.00 -0.12 0.00 0.00 64.86 62.34 1jba h ILE 124 Cb 0.76 2.33 -0.01 0.00 -3.03 0.00 0.00 36.82 36.86 1jba h ILE 124 CO 0.06 0.70 -0.09 1.88 -0.68 0.00 0.00 178.15 180.03 1jba h TYR 125 N 0.27 0.93 0.38 1.37 -1.99 -0.01 -2.75 116.97 115.17 1jba h TYR 125 Ca -0.07 -0.19 -0.02 0.00 2.00 0.00 0.00 58.73 60.45 1jba h TYR 125 Cb 1.52 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 40.02 1jba h TYR 125 CO 0.06 0.93 -0.18 0.87 -0.00 0.00 0.00 178.16 179.84 1jba h LYS 126 N 0.66 -0.49 -0.66 4.88 1.57 -1.35 -1.64 116.57 119.55 1jba h LYS 126 Ca 0.11 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.04 1jba h LYS 126 Cb 0.62 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.92 1jba h LYS 126 CO 0.04 -0.22 -0.32 1.25 -0.57 0.00 0.00 179.45 179.64 1jba h LEU 127 N -0.72 -1.11 -0.44 2.94 6.46 -1.50 0.20 115.31 121.15 1jba h LEU 127 Ca -0.05 0.23 0.06 0.00 -0.12 0.00 0.00 57.88 58.00 1jba h LEU 127 Cb 0.50 0.57 -0.05 0.00 -0.73 0.00 0.00 40.66 40.95 1jba h LEU 127 CO 0.09 -0.29 0.13 0.11 -0.62 0.00 0.00 178.44 177.85 1jba h LYS 128 N -0.12 0.27 -0.84 1.25 1.57 -1.41 0.27 116.57 117.55 1jba h LYS 128 Ca 0.26 -0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.23 1jba h LYS 128 Cb 0.55 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1jba h LYS 128 CO -0.72 0.18 0.57 -0.22 -0.57 0.00 0.00 179.45 178.68 1jba h LYS 129 N 0.28 0.29 0.00 3.15 3.64 0.36 0.60 116.57 124.88 1jba h LYS 129 Ca 0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1jba h LYS 129 Cb 0.23 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1jba h LYS 129 CO -0.24 0.19 -0.60 0.00 -2.27 0.00 0.00 179.45 176.53 1jba n ALA 130 N -2.56 3.59 -1.00 5.00 0.00 -0.02 -4.74 120.51 120.77 1jba n ALA 130 Ca 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1jba n ALA 130 Cb 0.71 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1jba n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n SER 132 N 0.00 -0.30 -1.27 0.00 3.41 -1.24 -5.07 113.62 109.15 1jba n SER 132 Ca 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1jba n SER 132 Cb 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1jba n SER 132 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jba n VAL 133 N 0.00 0.00 0.07 -3.33 0.24 -1.26 -5.02 118.33 109.03 1jba n VAL 133 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 1jba n VAL 133 Cb 0.38 -1.28 -0.09 0.00 -1.47 0.00 0.00 33.84 31.39 1jba n VAL 133 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1jba h GLU 134 N 0.00 -0.20 -6.25 7.34 3.07 -2.01 -3.47 114.58 113.06 1jba h GLU 134 Ca 0.00 0.01 -0.31 0.00 -0.50 0.00 0.00 59.36 58.56 1jba h GLU 134 Cb 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1jba h GLU 134 CO 0.00 0.17 -0.66 1.55 -1.40 0.00 0.00 179.01 178.66 1jba n VAL 135 N -5.01 -1.87 1.36 3.13 3.14 -1.26 -4.71 118.33 113.11 1jba n VAL 135 Ca -0.09 -0.06 0.01 0.00 -2.96 0.00 0.00 64.34 61.24 1jba n VAL 135 Cb 0.24 -1.65 0.06 0.00 -1.06 0.00 0.00 33.84 31.42 1jba n VAL 135 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jba n GLU 136 N -2.07 0.68 0.00 1.45 1.02 -1.26 -3.77 120.64 116.69 1jba n GLU 136 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1jba n GLU 136 Cb 0.41 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jba n ALA 137 N -0.54 0.86 -1.51 0.62 0.00 -1.26 -4.14 120.51 114.54 1jba n ALA 137 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 1jba n ALA 137 Cb 0.01 -0.72 -0.17 0.00 0.00 0.00 0.00 19.45 18.57 1jba n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jba n GLU 138 N -1.16 0.09 -0.07 0.00 1.02 -1.25 0.22 120.64 119.50 1jba n GLU 138 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1jba n GLU 138 Cb 0.09 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1jba n GLU 138 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1jba n GLN 139 N 7.38 0.00 -2.56 3.49 0.00 -1.26 -4.25 117.38 120.18 1jba n GLN 139 Ca 0.64 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 57.59 1jba n GLN 139 Cb 0.12 -3.06 -0.04 0.00 0.00 0.00 0.00 30.24 27.26 1jba n GLN 139 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1jba n GLN 140 N -2.00 -4.80 0.00 3.69 -0.06 0.59 -5.05 117.38 109.75 1jba n GLN 140 Ca 0.00 3.57 0.00 0.00 -2.00 0.00 0.00 57.00 58.57 1jba n GLN 140 Cb 0.00 -5.07 0.00 0.00 -4.06 0.00 0.00 30.24 21.11 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jba n GLY 141 N 1.75 -0.08 0.14 1.69 0.00 -1.26 -4.79 105.19 102.65 1jba n GLY 141 Ca -0.36 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.81 1jba n GLY 141 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jba n LYS 142 N 0.00 1.17 -1.11 1.61 2.85 -1.26 -4.86 118.16 116.55 1jba n LYS 142 Ca 0.00 -0.28 -0.26 0.00 -1.05 0.00 0.00 58.31 56.72 1jba n LYS 142 Cb 0.00 -1.49 0.20 0.00 -0.65 0.00 0.00 35.03 33.09 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jba n LEU 143 N -0.67 0.00 -5.00 -5.58 4.32 -1.26 -5.06 117.00 103.74 1jba n LEU 143 Ca 0.22 -1.07 -0.22 0.00 -0.02 0.00 0.00 56.01 54.92 1jba n LEU 143 Cb 0.19 -0.87 0.08 0.00 -1.62 0.00 0.00 43.42 41.20 1jba n LEU 143 CO 0.18 -1.80 0.44 -1.48 -1.22 0.00 0.00 177.39 173.51 1jba s LEU 144 N 0.00 3.10 0.17 2.23 0.05 -1.26 -5.08 118.68 117.88 1jba s LEU 144 Ca 0.62 -0.43 -0.03 0.00 0.05 0.00 0.00 54.13 54.33 1jba s LEU 144 Cb -0.05 -2.08 -0.05 0.00 -2.05 0.00 0.00 46.19 41.96 1jba s LEU 144 CO 0.46 -1.55 0.39 0.42 -0.55 0.00 0.00 176.35 175.52 1jba s THR 145 N -2.91 5.18 0.34 5.48 -4.23 -1.26 -4.95 115.64 113.29 1jba s THR 145 Ca 0.63 -0.09 0.29 0.00 -1.18 0.00 0.00 61.69 61.34 1jba s THR 145 Cb -0.07 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.41 1jba s THR 145 CO 0.41 -0.04 1.88 -0.65 -0.54 0.00 0.00 174.62 175.68 1jba h PRO 146 N 2.52 0.00 0.00 3.99 0.10 -1.99 0.17 132.00 136.80 1jba h PRO 146 Ca -0.47 0.00 -0.23 0.00 0.10 0.00 0.00 66.00 65.40 1jba h PRO 146 Cb 1.17 0.00 -0.04 0.00 0.10 0.00 0.00 31.00 32.23 1jba h PRO 146 CO 0.71 0.00 -1.54 0.93 0.10 0.00 0.00 178.00 178.20 1jba h GLU 147 N 0.00 0.00 0.04 1.05 5.08 -1.97 -3.32 114.58 115.46 1jba h GLU 147 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jba h GLU 147 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1jba h GLU 147 CO 0.00 0.42 -0.02 1.49 -1.00 0.00 0.00 179.01 179.90 1jba h GLU 148 N 0.00 -0.05 -0.60 2.33 4.81 -1.03 -1.66 114.58 118.39 1jba h GLU 148 Ca -0.22 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1jba h GLU 148 Cb 1.81 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 31.08 1jba h GLU 148 CO 0.07 -0.03 -0.34 -0.24 -0.73 0.00 0.00 179.01 177.73 1jba h VAL 149 N -0.05 0.16 -1.11 0.32 3.04 -1.77 1.20 116.25 118.05 1jba h VAL 149 Ca -0.00 0.00 0.31 0.00 -1.01 0.00 0.00 66.70 66.00 1jba h VAL 149 Cb 0.04 0.16 -0.06 0.00 -2.01 0.00 0.00 31.29 29.42 1jba h VAL 149 CO 0.01 0.00 0.77 0.58 -1.01 0.00 0.00 177.57 177.92 1jba h VAL 150 N -0.16 0.46 0.00 1.51 2.07 -1.66 2.12 116.25 120.59 1jba h VAL 150 Ca 0.23 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1jba h VAL 150 Cb 0.55 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1jba h VAL 150 CO -0.69 0.02 -0.40 -0.67 0.02 0.00 0.00 177.57 175.86 1jba n ASP 151 N -4.33 0.53 0.08 0.57 2.03 0.39 -3.83 116.55 111.97 1jba n ASP 151 Ca 0.25 0.13 -0.23 0.00 0.52 0.00 0.00 54.79 55.46 1jba n ASP 151 Cb 1.10 -0.05 -0.15 0.00 -0.72 0.00 0.00 41.12 41.30 1jba n ASP 151 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1jba h ARG 152 N 0.00 0.39 -0.16 -0.67 1.12 0.63 -2.83 114.38 112.85 1jba h ARG 152 Ca 0.00 -0.67 0.04 0.00 -1.11 0.00 0.00 59.98 58.24 1jba h ARG 152 Cb 0.62 0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 30.82 1jba h ARG 152 CO 0.00 1.32 0.11 0.82 -3.11 0.00 0.00 179.97 179.11 1jba h ILE 153 N -0.02 0.95 0.19 1.20 2.04 -1.27 -0.32 117.51 120.28 1jba h ILE 153 Ca -0.29 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1jba h ILE 153 Cb 2.00 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1jba h ILE 153 CO 0.17 0.01 -0.09 -0.26 0.00 0.00 0.00 178.15 177.98 1jba h PHE 154 N 0.06 -0.24 -0.52 1.37 -1.00 -1.66 -2.84 116.94 112.10 1jba h PHE 154 Ca 0.07 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 60.95 1jba h PHE 154 Cb 0.22 0.08 -0.09 0.00 3.61 0.00 0.00 35.95 39.77 1jba h PHE 154 CO -0.00 0.01 -0.07 -0.07 -1.61 0.00 0.00 178.31 176.57 1jba h LEU 155 N -1.02 -0.36 0.07 1.54 -0.00 -1.23 0.34 115.31 114.65 1jba h LEU 155 Ca -0.03 0.14 0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1jba h LEU 155 Cb 0.35 0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 41.24 1jba h LEU 155 CO 0.04 -0.13 -0.40 0.25 -0.00 0.00 0.00 178.44 178.20 1jba h LEU 156 N 0.05 -1.18 0.00 1.67 6.46 -1.17 -3.34 115.31 117.80 1jba h LEU 156 Ca 0.26 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1jba h LEU 156 Cb 0.40 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1jba h LEU 156 CO -0.49 -0.46 0.00 0.52 -0.62 0.00 0.00 178.44 177.39 1jba n VAL 157 N -5.45 0.00 -2.36 1.05 0.31 -0.74 -4.91 118.33 106.22 1jba n VAL 157 Ca -0.06 0.45 -0.25 0.00 -0.01 0.00 0.00 64.34 64.47 1jba n VAL 157 Cb 0.37 -0.91 0.10 0.00 -0.91 0.00 0.00 33.84 32.48 1jba n VAL 157 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1jba s ASP 158 N -1.50 4.46 0.00 4.52 1.11 0.11 -5.02 116.67 120.36 1jba s ASP 158 Ca 0.00 0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.79 1jba s ASP 158 Cb 0.00 -0.56 0.00 0.00 1.07 0.00 0.00 42.92 43.43 1jba s ASP 158 CO 0.00 -1.79 0.00 -1.84 1.18 0.00 0.00 175.17 172.72 1jba n GLU 159 N -2.93 4.30 0.00 8.23 0.00 -1.26 -3.61 120.64 125.37 1jba n GLU 159 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1jba n GLU 159 Cb 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 31.44 31.62 1jba n GLU 159 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1jba n ASN 160 N -0.08 0.00 -0.96 -1.84 2.04 -1.26 -4.66 115.26 108.50 1jba n ASN 160 Ca 0.00 0.23 -0.09 0.00 -0.44 0.00 0.00 54.58 54.28 1jba n ASN 160 Cb 0.00 -0.23 -0.04 0.00 -2.53 0.00 0.00 39.78 36.99 1jba n ASN 160 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jba n GLY 161 N -1.19 0.81 0.00 4.83 0.00 -1.26 -4.71 105.19 103.67 1jba n GLY 161 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1jba n GLY 161 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jba n ASP 162 N -0.04 0.00 -3.13 1.61 5.68 -1.26 -4.84 116.55 114.57 1jba n ASP 162 Ca -0.09 -0.02 -0.22 0.00 -0.50 0.00 0.00 54.79 53.97 1jba n ASP 162 Cb 0.36 -0.24 0.06 0.00 -1.14 0.00 0.00 41.12 40.16 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jba n GLY 163 N -0.04 -0.45 2.77 6.12 0.00 -1.26 -4.97 105.19 107.36 1jba n GLY 163 Ca 0.08 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1jba n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jba s GLN 164 N -5.94 0.32 -0.67 1.61 -0.21 -1.26 -4.56 119.66 108.94 1jba s GLN 164 Ca 0.42 -0.08 -0.15 0.00 0.02 0.00 0.00 55.36 55.57 1jba s GLN 164 Cb -0.19 -0.66 0.16 0.00 1.00 0.00 0.00 33.01 33.33 1jba s GLN 164 CO 0.52 -0.99 0.64 -1.17 -2.12 0.00 0.00 175.29 172.17 1jba s LEU 165 N 2.38 6.34 0.99 2.90 2.96 -1.04 -4.94 118.68 128.27 1jba s LEU 165 Ca 0.09 -2.14 -0.15 0.00 -0.22 0.00 0.00 54.13 51.71 1jba s LEU 165 Cb -0.14 -2.22 0.19 0.00 0.50 0.00 0.00 46.19 44.52 1jba s LEU 165 CO -0.31 -0.77 1.21 -0.44 -1.32 0.00 0.00 176.35 174.73 1jba s SER 166 N 3.02 2.86 0.12 3.68 0.01 -1.26 -2.34 113.70 119.79 1jba s SER 166 Ca 0.10 0.57 -0.16 0.00 1.31 0.00 0.00 55.95 57.78 1jba s SER 166 Cb -0.21 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.16 1jba s SER 166 CO -0.02 -2.92 1.61 0.25 0.41 0.00 0.00 173.24 172.57 1jba h LEU 167 N -1.76 0.58 -0.43 2.44 5.85 -1.98 -0.10 115.31 119.91 1jba h LEU 167 Ca -0.46 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.10 1jba h LEU 167 Cb 1.28 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 1jba h LEU 167 CO 0.46 0.68 -0.14 -1.13 -0.34 0.00 0.00 178.44 177.97 1jba h ASN 168 N 0.45 -0.48 -0.35 1.25 -0.73 -1.95 -1.44 115.58 112.33 1jba h ASN 168 Ca 0.11 0.14 -0.15 0.00 1.87 0.00 0.00 56.30 58.28 1jba h ASN 168 Cb 0.34 0.30 -0.01 0.00 0.27 0.00 0.00 38.32 39.22 1jba h ASN 168 CO 0.00 -0.17 -0.35 -0.33 -0.37 0.00 0.00 177.43 176.21 1jba h GLU 169 N -0.04 0.85 0.00 6.67 5.08 -1.91 -2.66 114.58 122.58 1jba h GLU 169 Ca 0.21 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1jba h GLU 169 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jba h GLU 169 CO -0.46 1.09 0.00 0.34 -1.00 0.00 0.00 179.01 178.98 1jba n PHE 170 N -4.14 0.00 -0.26 4.33 7.35 -0.06 -1.24 117.46 123.44 1jba n PHE 170 Ca -0.03 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.64 1jba n PHE 170 Cb 0.52 -0.24 0.04 0.00 0.35 0.00 0.00 39.48 40.15 1jba n PHE 170 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1jba h VAL 171 N 0.00 0.15 -0.36 -2.13 -1.51 -1.43 2.86 116.25 113.83 1jba h VAL 171 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.57 1jba h VAL 171 Cb 0.00 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.30 1jba h VAL 171 CO 0.00 0.00 0.66 -0.33 -1.23 0.00 0.00 177.57 176.67 1jba h GLU 172 N -0.08 0.00 0.00 5.19 5.08 -1.28 2.12 114.58 125.61 1jba h GLU 172 Ca 0.30 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.45 1jba h GLU 172 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1jba h GLU 172 CO -0.78 0.00 -1.80 0.41 -1.00 0.00 0.00 179.01 175.84 1jba n GLY 173 N -1.46 -0.33 0.19 -3.84 0.00 0.63 -4.32 105.19 96.07 1jba n GLY 173 Ca 0.07 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba h ALA 174 N 0.20 0.89 -0.14 4.61 0.00 0.57 -3.24 119.26 122.14 1jba h ALA 174 Ca -0.31 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1jba h ALA 174 Cb 1.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1jba h ALA 174 CO -0.03 0.17 -0.38 -0.09 0.00 0.00 0.00 179.25 178.93 1jba h ARG 175 N 0.00 0.51 -1.61 0.00 2.43 0.32 -2.95 114.38 113.08 1jba h ARG 175 Ca -0.00 -0.35 -0.39 0.00 -0.81 0.00 0.00 59.98 58.42 1jba h ARG 175 Cb 1.10 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.55 1jba h ARG 175 CO 0.02 0.97 0.44 -2.13 -1.51 0.00 0.00 179.97 177.76 1jba n ARG 176 N -4.32 2.01 -0.98 0.20 0.63 -1.23 -4.98 116.66 108.00 1jba n ARG 176 Ca -0.07 -1.87 -0.32 0.00 -0.92 0.00 0.00 57.85 54.67 1jba n ARG 176 Cb 0.52 -1.79 0.01 0.00 0.45 0.00 0.00 32.46 31.66 1jba n ARG 176 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1jba n ASP 177 N 0.40 -3.54 0.00 6.15 5.68 -1.12 -4.89 116.55 119.24 1jba n ASP 177 Ca 0.37 0.45 0.00 0.00 -0.50 0.00 0.00 54.79 55.10 1jba n ASP 177 Cb 0.58 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1jba n ASP 177 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1jba n LYS 178 N 1.46 0.34 0.00 0.11 5.02 -1.26 -4.94 118.16 118.88 1jba n LYS 178 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1jba n LYS 178 Cb 0.41 -0.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1jba n TRP 179 N -0.38 0.00 0.14 2.13 -0.00 -1.26 -5.02 117.44 113.06 1jba n TRP 179 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.44 1jba n TRP 179 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 1jba n TRP 179 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1jba h VAL 180 N 0.02 0.00 0.01 5.87 2.07 -1.92 -2.55 116.25 119.75 1jba h VAL 180 Ca 0.00 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1jba h VAL 180 Cb 0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1jba h VAL 180 CO 0.00 0.00 -0.20 0.24 0.02 0.00 0.00 177.57 177.63 1jba h MET 181 N -0.38 -0.25 -0.74 1.57 2.86 -1.93 -1.39 114.93 114.67 1jba h MET 181 Ca -0.04 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 57.85 1jba h MET 181 Cb 0.28 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 31.86 1jba h MET 181 CO 0.06 -0.16 0.11 1.17 1.06 0.00 0.00 176.91 179.14 1jba n LYS 182 N -3.58 -0.06 0.00 1.72 3.00 -1.25 0.12 118.16 118.11 1jba n LYS 182 Ca -0.03 1.09 0.00 0.00 -0.00 0.00 0.00 58.31 59.37 1jba n LYS 182 Cb 0.15 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 33.40 1jba n LYS 182 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1jba n MET 183 N -4.94 0.00 -0.36 1.64 1.56 -0.68 -1.95 117.12 112.39 1jba n MET 183 Ca 0.20 0.03 0.28 0.00 -0.27 0.00 0.00 57.70 57.94 1jba n MET 183 Cb 0.66 -0.73 0.56 0.00 2.15 0.00 0.00 33.22 35.85 1jba n MET 183 CO 0.00 0.00 0.00 1.37 -0.73 0.00 0.00 175.97 176.61 1jba h LEU 184 N 0.00 0.38 0.00 -0.89 8.10 -0.94 -3.06 115.31 118.89 1jba h LEU 184 Ca 0.00 0.11 0.00 0.00 0.11 0.00 0.00 57.88 58.10 1jba h LEU 184 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1jba h LEU 184 CO 0.00 -0.02 0.00 1.67 -4.11 0.00 0.00 178.44 175.98 1jba n GLN 185 N -4.68 0.00 0.00 0.17 0.00 0.32 -5.02 117.38 108.18 1jba n GLN 185 Ca 0.30 0.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.31 1jba n GLN 185 Cb 1.08 -0.75 0.00 0.00 0.00 0.00 0.00 30.24 30.57 1jba n GLN 185 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1jba n MET 186 N -0.53 0.00 0.00 3.69 0.00 -0.82 -5.05 117.12 114.41 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1jba n MET 186 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1jba n ASP 187 N 0.00 0.00 0.07 6.12 9.92 -1.26 -4.45 116.55 126.96 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jba n ASP 187 Cb 0.00 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1jba n LEU 188 N -1.66 -0.91 0.00 0.64 7.94 -1.26 -5.05 117.00 116.70 1jba n LEU 188 Ca 0.00 0.26 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 1jba n LEU 188 Cb 0.00 1.07 0.00 0.00 0.53 0.00 0.00 43.42 45.02 1jba n LEU 188 CO 0.00 -0.37 0.00 0.59 -1.11 0.00 0.00 177.39 176.50 1jba n ASN 189 N -2.83 0.00 0.00 1.96 3.02 -1.26 -5.23 115.26 110.92 1jba n ASN 189 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 1jba n ASN 189 Cb 0.00 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.38 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83