#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba s GLN 3 N 0.00 0.78 0.00 1.61 -2.07 -1.26 -4.73 119.66 113.99 1jba s GLN 3 Ca 0.00 -0.33 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 1jba s GLN 3 Cb 0.00 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 1jba s GLN 3 CO 0.00 -0.35 0.00 0.00 -1.32 0.00 0.00 175.29 173.62 1jba n GLN 4 N -0.27 0.00 0.00 9.60 10.64 -1.26 -5.14 117.38 130.95 1jba n GLN 4 Ca -0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1jba n GLN 4 Cb 0.61 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.99 1jba n GLN 4 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1jba n PHE 5 N -0.11 0.00 -0.85 2.61 3.72 -1.26 -4.75 117.46 116.82 1jba n PHE 5 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jba n PHE 5 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1jba n PHE 5 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jba n SER 6 N 0.00 0.00 -0.47 4.37 2.88 -1.26 -4.85 113.62 114.29 1jba n SER 6 Ca 0.00 0.00 0.39 0.00 -1.33 0.00 0.00 58.87 57.93 1jba n SER 6 Cb 0.00 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.06 1jba n SER 6 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1jba n TRP 7 N 0.00 0.00 -0.50 0.66 8.01 -1.26 -0.57 117.44 123.78 1jba n TRP 7 Ca 0.00 0.00 0.41 0.00 -1.31 0.00 0.00 57.50 56.60 1jba n TRP 7 Cb 0.00 -0.36 0.70 0.00 -2.01 0.00 0.00 31.31 29.64 1jba n TRP 7 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1jba h GLU 8 N 0.00 0.05 0.57 -0.99 4.39 -2.00 0.22 114.58 116.83 1jba h GLU 8 Ca 0.69 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.35 1jba h GLU 8 Cb 3.07 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 31.72 1jba h GLU 8 CO -0.01 0.03 -0.27 0.93 -1.16 0.00 0.00 179.01 178.53 1jba h GLU 9 N 0.05 -0.74 -0.17 2.33 5.08 -1.17 -2.56 114.58 117.41 1jba h GLU 9 Ca 0.84 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 59.29 1jba h GLU 9 Cb 2.87 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 32.25 1jba h GLU 9 CO -0.30 -0.46 -0.11 0.00 -1.00 0.00 0.00 179.01 177.14 1jba h ALA 10 N -0.47 0.02 -1.11 3.43 0.00 -0.77 0.87 119.26 121.24 1jba h ALA 10 Ca -0.08 0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.23 1jba h ALA 10 Cb 0.62 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 1jba h ALA 10 CO 0.13 -0.55 0.69 0.93 0.00 0.00 0.00 179.25 180.45 1jba h GLU 11 N -0.11 0.28 0.00 0.00 4.39 -1.33 -3.27 114.58 114.54 1jba h GLU 11 Ca 0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1jba h GLU 11 Cb 0.26 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1jba h GLU 11 CO -0.24 0.19 0.00 -1.91 -1.16 0.00 0.00 179.01 175.89 1jba n GLU 12 N -4.80 0.00 -1.66 2.33 2.13 -0.08 -4.93 120.64 113.63 1jba n GLU 12 Ca 0.31 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.75 1jba n GLU 12 Cb 1.06 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.83 1jba n GLU 12 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1jba n ASN 13 N 0.00 1.32 0.00 4.31 4.13 0.11 -4.99 115.26 120.13 1jba n ASN 13 Ca 0.00 0.83 0.00 0.00 1.68 0.00 0.00 54.58 57.09 1jba n ASN 13 Cb 0.00 -1.45 0.00 0.00 -1.54 0.00 0.00 39.78 36.79 1jba n ASN 13 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jba n GLY 14 N 1.14 0.49 3.70 7.41 0.00 -1.26 -4.33 105.19 112.33 1jba n GLY 14 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.33 3.79 -1.30 4.61 0.00 -1.26 -4.84 121.76 119.44 1jba s ALA 15 Ca 0.00 1.41 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 1jba s ALA 15 Cb 0.00 -3.70 0.13 0.00 0.00 0.00 0.00 23.12 19.55 1jba s ALA 15 CO 0.00 -1.02 1.82 1.33 0.00 0.00 0.00 175.76 177.89 1jba n VAL 16 N 4.37 4.08 0.00 0.00 0.24 -1.26 -4.92 118.33 120.84 1jba n VAL 16 Ca 0.16 -4.15 0.00 0.00 -2.04 0.00 0.00 64.34 58.31 1jba n VAL 16 Cb 0.38 -2.44 0.00 0.00 -1.47 0.00 0.00 33.84 30.31 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jba n GLY 17 N 3.77 3.87 3.33 7.63 0.00 -1.26 -4.11 105.19 118.43 1jba n GLY 17 Ca 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.43 1jba n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba s ALA 18 N -1.33 -1.74 0.00 4.61 0.00 -1.26 -4.86 121.76 117.18 1jba s ALA 18 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1jba s ALA 18 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1jba s ALA 18 CO 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 175.76 174.73 1jba n ALA 19 N 5.42 0.00 -0.65 0.00 0.00 -1.26 -4.88 120.51 119.13 1jba n ALA 19 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jba n ALA 19 Cb 0.50 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1jba n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jba n ASP 20 N 0.00 0.00 -0.28 0.00 2.03 -1.26 -1.18 116.55 115.86 1jba n ASP 20 Ca 0.00 0.67 0.09 0.00 0.52 0.00 0.00 54.79 56.08 1jba n ASP 20 Cb 0.00 -0.17 0.19 0.00 -0.72 0.00 0.00 41.12 40.42 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jba n ALA 21 N -1.59 0.33 -0.35 -1.67 0.00 -1.26 0.28 120.51 116.24 1jba n ALA 21 Ca 0.00 0.85 0.25 0.00 0.00 0.00 0.00 53.44 54.55 1jba n ALA 21 Cb 0.00 -0.58 0.51 0.00 0.00 0.00 0.00 19.45 19.38 1jba n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba h ALA 22 N 1.58 2.20 -0.04 0.00 0.00 -1.54 0.43 119.26 121.89 1jba h ALA 22 Ca 0.44 0.12 -0.25 0.00 0.00 0.00 0.00 54.91 55.21 1jba h ALA 22 Cb 0.84 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.75 1jba h ALA 22 CO -0.77 -0.72 -0.97 1.96 0.00 0.00 0.00 179.25 178.75 1jba h GLN 23 N 0.34 0.73 -0.70 0.00 4.20 0.44 -2.79 115.11 117.33 1jba h GLN 23 Ca 0.69 -0.73 0.12 0.00 0.06 0.00 0.00 58.65 58.79 1jba h GLN 23 Cb 1.74 0.19 -0.08 0.00 0.30 0.00 0.00 27.48 29.63 1jba h GLN 23 CO -0.43 1.31 0.28 -0.07 -0.67 0.00 0.00 178.83 179.25 1jba h LEU 24 N 0.43 0.28 0.28 1.46 -0.00 0.20 0.36 115.31 118.32 1jba h LEU 24 Ca -0.11 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.85 1jba h LEU 24 Cb 1.62 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.35 1jba h LEU 24 CO 0.19 0.13 -0.13 1.56 -0.00 0.00 0.00 178.44 180.19 1jba h GLN 25 N 0.45 -0.36 -0.89 1.13 7.50 -1.39 -2.11 115.11 119.44 1jba h GLN 25 Ca 0.37 0.02 0.21 0.00 0.50 0.00 0.00 58.65 59.75 1jba h GLN 25 Cb 0.51 0.08 -0.06 0.00 0.05 0.00 0.00 27.48 28.06 1jba h GLN 25 CO -0.36 -0.05 0.59 1.49 -1.50 0.00 0.00 178.83 179.01 1jba h GLU 26 N -0.69 0.36 0.00 1.46 4.57 -1.11 0.65 114.58 119.82 1jba h GLU 26 Ca -0.04 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1jba h GLU 26 Cb 0.48 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1jba h GLU 26 CO 0.06 0.24 -0.43 -1.49 -1.18 0.00 0.00 179.01 176.21 1jba h TRP 27 N 0.37 0.00 -0.03 0.92 4.06 -0.01 -2.39 115.95 118.87 1jba h TRP 27 Ca 0.46 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.30 1jba h TRP 27 Cb 1.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 1jba h TRP 27 CO -0.00 0.43 -0.52 -0.92 -3.56 0.00 0.00 178.44 173.87 1jba h TYR 28 N 0.00 0.09 0.21 0.49 3.20 0.99 -1.44 116.97 120.51 1jba h TYR 28 Ca -0.00 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1jba h TYR 28 Cb 0.78 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1jba h TYR 28 CO 0.00 0.58 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.78 1jba h LYS 29 N 0.06 -0.27 -0.04 1.82 3.64 -1.03 -2.69 116.57 118.06 1jba h LYS 29 Ca -0.00 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1jba h LYS 29 Cb 0.94 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1jba h LYS 29 CO 0.07 -0.18 0.11 -0.22 -2.27 0.00 0.00 179.45 176.96 1jba h LYS 30 N -0.92 0.00 0.12 1.90 3.64 -1.52 0.38 116.57 120.17 1jba h LYS 30 Ca -0.03 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1jba h LYS 30 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1jba h LYS 30 CO 0.05 0.00 -0.06 0.35 -2.27 0.00 0.00 179.45 177.52 1jba h PHE 31 N 0.00 -0.15 -0.00 1.91 3.57 -1.30 -3.30 116.94 117.67 1jba h PHE 31 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1jba h PHE 31 Cb 0.24 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1jba h PHE 31 CO 0.00 0.30 -0.09 1.28 -2.23 0.00 0.00 178.31 177.57 1jba n LEU 32 N -4.86 0.13 0.29 0.59 4.32 -0.99 -3.22 117.00 113.25 1jba n LEU 32 Ca -0.07 0.33 0.15 0.00 -0.02 0.00 0.00 56.01 56.40 1jba n LEU 32 Cb 0.25 -0.38 0.91 0.00 -1.62 0.00 0.00 43.42 42.58 1jba n LEU 32 CO 0.22 0.03 1.13 -0.08 -1.22 0.00 0.00 177.39 177.47 1jba h GLU 33 N 0.07 0.00 0.00 3.23 4.81 -0.32 -1.34 114.58 121.03 1jba h GLU 33 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jba h GLU 33 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1jba h GLU 33 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 177.43 1jba n GLU 34 N -3.85 0.77 -2.83 1.92 0.28 -1.22 -4.81 120.64 110.91 1jba n GLU 34 Ca -0.03 -0.93 -0.11 0.00 -0.16 0.00 0.00 57.16 55.94 1jba n GLU 34 Cb 0.10 -0.98 0.05 0.00 1.43 0.00 0.00 31.44 32.03 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jba s PRO 36 N -0.03 2.02 0.00 0.00 0.02 -0.75 -3.97 135.00 132.29 1jba s PRO 36 Ca 0.29 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.44 1jba s PRO 36 Cb 0.27 -4.63 0.00 0.00 0.02 0.00 0.00 34.50 30.16 1jba s PRO 36 CO -0.13 -3.51 0.00 0.45 -0.33 0.00 0.00 177.00 173.48 1jba n SER 37 N 16.31 0.00 -1.27 2.53 2.88 -1.26 -4.98 113.62 127.83 1jba n SER 37 Ca 0.38 -0.07 -0.15 0.00 -1.33 0.00 0.00 58.87 57.70 1jba n SER 37 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jba n GLY 38 N 0.00 1.16 3.21 0.46 0.00 -1.25 -4.96 105.19 103.81 1jba n GLY 38 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.60 0.14 -0.08 2.61 -4.23 -1.26 -4.58 115.64 105.63 1jba s THR 39 Ca 0.00 -1.13 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 1jba s THR 39 Cb 0.00 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 1jba s THR 39 CO 0.00 -0.62 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.01 1jba s LEU 40 N -2.86 2.19 0.24 4.79 0.20 -0.42 -4.98 118.68 117.84 1jba s LEU 40 Ca 0.05 -0.49 0.11 0.00 0.69 0.00 0.00 54.13 54.49 1jba s LEU 40 Cb 0.05 -1.43 -0.05 0.00 -0.43 0.00 0.00 46.19 44.33 1jba s LEU 40 CO -0.11 0.21 -0.20 -0.36 -0.29 0.00 0.00 176.35 175.59 1jba s PHE 41 N 0.07 2.33 0.17 5.38 0.08 -1.26 -2.04 117.98 122.71 1jba s PHE 41 Ca -0.10 -0.33 -0.28 0.00 0.12 0.00 0.00 56.93 56.34 1jba s PHE 41 Cb -0.16 -1.08 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 1jba s PHE 41 CO 0.06 0.61 1.55 1.98 -0.10 0.00 0.00 175.22 179.32 1jba h MET 42 N 2.69 -0.14 0.44 0.44 1.85 -1.97 0.30 114.93 118.54 1jba h MET 42 Ca -0.43 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 58.66 1jba h MET 42 Cb 1.23 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 33.27 1jba h MET 42 CO 0.54 -0.10 -0.47 0.45 -0.40 0.00 0.00 176.91 176.94 1jba h HIS 43 N -0.15 -1.30 -0.97 1.39 3.86 -2.00 -0.74 115.15 115.25 1jba h HIS 43 Ca 0.18 0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.68 1jba h HIS 43 Cb 0.52 0.51 -0.04 0.00 1.06 0.00 0.00 27.41 29.46 1jba h HIS 43 CO -0.85 -0.63 0.72 0.93 0.86 0.00 0.00 177.93 178.96 1jba h GLU 44 N -0.93 0.00 -0.09 2.45 3.07 -1.70 0.68 114.58 118.07 1jba h GLU 44 Ca -0.05 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 1jba h GLU 44 Cb 0.82 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1jba h GLU 44 CO -0.08 0.00 -0.70 0.35 -1.40 0.00 0.00 179.01 177.18 1jba h PHE 45 N 0.00 0.52 0.66 4.33 3.57 0.97 -2.68 116.94 124.30 1jba h PHE 45 Ca 0.46 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1jba h PHE 45 Cb 1.89 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 40.55 1jba h PHE 45 CO 0.00 0.96 -0.32 -0.22 -2.23 0.00 0.00 178.31 176.51 1jba h LYS 46 N 0.27 -0.85 0.18 1.11 3.64 0.14 -2.71 116.57 118.35 1jba h LYS 46 Ca -0.02 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jba h LYS 46 Cb 1.26 0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 33.24 1jba h LYS 46 CO 0.12 -0.53 -0.43 0.00 -2.27 0.00 0.00 179.45 176.34 1jba h ARG 47 N -1.06 -0.64 0.00 1.90 3.08 -1.45 2.58 114.38 118.78 1jba h ARG 47 Ca -0.09 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jba h ARG 47 Cb 0.71 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1jba h ARG 47 CO 0.15 -0.43 0.00 0.34 -1.07 0.00 0.00 179.97 178.96 1jba n PHE 48 N -4.91 0.00 -0.04 3.04 7.35 -1.01 0.28 117.46 122.17 1jba n PHE 48 Ca -0.08 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.50 1jba n PHE 48 Cb 0.35 -0.19 -0.05 0.00 0.35 0.00 0.00 39.48 39.94 1jba n PHE 48 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1jba h PHE 49 N 0.00 0.23 -3.05 -5.13 0.04 -1.46 -3.32 116.94 104.25 1jba h PHE 49 Ca 0.00 -0.02 -0.70 0.00 2.80 0.00 0.00 57.97 60.05 1jba h PHE 49 Cb 0.00 -0.07 -0.36 0.00 2.20 0.00 0.00 35.95 37.73 1jba h PHE 49 CO -0.35 0.30 -0.05 1.17 -0.60 0.00 0.00 178.31 178.78 1jba n LYS 50 N -4.88 2.89 0.12 1.51 4.81 0.86 -4.86 118.16 118.62 1jba n LYS 50 Ca -0.05 -4.53 0.12 0.00 -0.87 0.00 0.00 58.31 52.98 1jba n LYS 50 Cb 0.12 -2.40 0.10 0.00 0.02 0.00 0.00 35.03 32.87 1jba n LYS 50 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 1jba h VAL 51 N 3.79 0.00 -3.39 3.15 3.04 0.40 -3.21 116.25 120.02 1jba h VAL 51 Ca 0.18 -0.86 -0.42 0.00 -1.01 0.00 0.00 66.70 64.58 1jba h VAL 51 Cb 0.75 1.52 0.20 0.00 -2.01 0.00 0.00 31.29 31.75 1jba h VAL 51 CO 0.93 0.00 0.05 -2.84 -1.01 0.00 0.00 177.57 174.69 1jba s PRO 52 N -3.27 -1.21 0.00 4.17 0.02 -1.26 -4.99 135.00 128.45 1jba s PRO 52 Ca 0.03 0.37 0.00 0.00 0.02 0.00 0.00 61.00 61.43 1jba s PRO 52 Cb 0.09 -1.56 0.00 0.00 0.02 0.00 0.00 34.50 33.06 1jba s PRO 52 CO 0.74 -3.80 0.00 -0.40 -0.33 0.00 0.00 177.00 173.21 1jba n ASP 53 N -4.90 0.00 -1.05 2.53 5.75 -1.26 -4.95 116.55 112.68 1jba n ASP 53 Ca 0.08 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 55.00 1jba n ASP 53 Cb 0.58 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.63 1jba n ASP 53 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1jba n ASN 54 N 0.00 -6.19 0.00 -1.12 3.02 -1.26 -5.04 115.26 104.67 1jba n ASN 54 Ca 0.00 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1jba n ASN 54 Cb 0.00 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 1jba n ASN 54 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1jba n GLU 55 N -3.20 0.00 0.00 3.52 0.28 -1.26 -4.97 120.64 115.01 1jba n GLU 55 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1jba n GLU 55 Cb 0.62 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.49 1jba n GLU 55 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1jba n GLU 56 N 0.00 0.00 -0.15 3.44 4.07 -1.26 -4.56 120.64 122.19 1jba n GLU 56 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1jba n GLU 56 Cb 0.00 -0.12 0.00 0.00 -0.06 0.00 0.00 31.44 31.26 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jba n ALA 57 N 0.00 2.56 -0.03 4.31 0.00 -1.26 -3.04 120.51 123.04 1jba n ALA 57 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1jba n ALA 57 Cb 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.12 1jba n ALA 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jba n THR 58 N 1.16 0.37 -0.24 0.00 -1.04 -1.26 -4.27 114.28 108.99 1jba n THR 58 Ca 0.00 -0.56 -0.07 0.00 -2.04 0.00 0.00 64.05 61.38 1jba n THR 58 Cb 0.31 -0.12 0.04 0.00 -1.82 0.00 0.00 70.33 68.75 1jba n THR 58 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1jba h GLN 59 N 0.00 1.02 0.32 -2.82 7.50 -1.95 -1.74 115.11 117.43 1jba h GLN 59 Ca -0.15 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 58.79 1jba h GLN 59 Cb 1.28 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.65 1jba h GLN 59 CO 0.01 0.86 -0.15 -0.92 -1.50 0.00 0.00 178.83 177.12 1jba h TYR 60 N 0.97 -0.40 -0.13 2.96 5.03 -1.84 -2.34 116.97 121.22 1jba h TYR 60 Ca 0.22 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.56 1jba h TYR 60 Cb 0.23 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 1jba h TYR 60 CO 0.02 -0.15 0.14 0.28 -1.32 0.00 0.00 178.16 177.12 1jba h VAL 61 N -0.58 0.52 0.24 1.81 2.07 -1.72 -2.09 116.25 116.51 1jba h VAL 61 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1jba h VAL 61 Cb 0.42 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1jba h VAL 61 CO 0.07 0.00 -0.12 -0.08 0.02 0.00 0.00 177.57 177.47 1jba h GLU 62 N 0.00 -0.31 -0.70 1.57 4.81 -0.78 -2.86 114.58 116.30 1jba h GLU 62 Ca 0.06 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.41 1jba h GLU 62 Cb 0.34 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 1jba h GLU 62 CO -0.00 -0.03 0.47 0.00 -0.73 0.00 0.00 179.01 178.72 1jba h ALA 63 N 0.08 1.89 -0.70 2.92 0.00 -1.09 -1.66 119.26 120.69 1jba h ALA 63 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jba h ALA 63 Cb 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jba h ALA 63 CO 0.05 -0.04 0.00 -0.12 0.00 0.00 0.00 179.25 179.14 1jba n MET 64 N -4.49 0.00 0.24 0.00 0.00 -1.04 0.13 117.12 111.97 1jba n MET 64 Ca 0.12 0.47 0.12 0.00 -0.00 0.00 0.00 57.70 58.41 1jba n MET 64 Cb 0.35 -1.38 0.64 0.00 0.00 0.00 0.00 33.22 32.83 1jba n MET 64 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 1jba h PHE 65 N 0.00 0.00 0.00 1.12 3.04 -1.40 0.39 116.94 120.09 1jba h PHE 65 Ca 0.00 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 1jba h PHE 65 Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1jba h PHE 65 CO 0.01 0.00 -0.89 -0.09 -2.02 0.00 0.00 178.31 175.32 1jba h ARG 66 N 0.00 0.00 -0.00 1.11 9.65 -0.58 -3.39 114.38 121.17 1jba h ARG 66 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1jba h ARG 66 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1jba h ARG 66 CO 0.00 0.63 -0.18 0.00 2.80 0.00 0.00 179.97 183.22 1jba n ALA 67 N -3.42 2.80 0.31 2.80 0.00 0.35 -3.51 120.51 119.84 1jba n ALA 67 Ca -0.21 -0.21 0.16 0.00 0.00 0.00 0.00 53.44 53.18 1jba n ALA 67 Cb 0.50 -1.33 0.67 0.00 0.00 0.00 0.00 19.45 19.29 1jba n ALA 67 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1jba h PHE 68 N 0.08 0.00 -1.87 0.00 3.57 -0.37 -3.42 116.94 114.93 1jba h PHE 68 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1jba h PHE 68 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1jba h PHE 68 CO 0.00 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 175.68 1jba n ASP 69 N -2.88 0.00 0.00 0.41 5.75 -1.23 -5.08 116.55 113.52 1jba n ASP 69 Ca 0.01 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 1jba n ASP 69 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1jba n ASP 69 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jba n THR 70 N 0.00 0.00 -0.27 2.12 -2.24 -1.26 -4.87 114.28 107.76 1jba n THR 70 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jba n THR 70 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jba n THR 70 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jba n ASN 71 N 0.00 0.00 -1.67 3.42 5.03 -1.26 -2.96 115.26 117.82 1jba n ASN 71 Ca 0.00 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.36 1jba n ASN 71 Cb 0.00 -1.70 -0.03 0.00 -1.02 0.00 0.00 39.78 37.03 1jba n ASN 71 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jba n GLY 72 N -1.41 0.40 0.61 7.41 0.00 -1.26 -4.73 105.19 106.21 1jba n GLY 72 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.61 1.99 -2.45 1.61 5.68 -1.16 -4.92 116.55 116.69 1jba n ASP 73 Ca -0.10 -1.58 -0.02 0.00 -0.50 0.00 0.00 54.79 52.59 1jba n ASP 73 Cb 0.40 0.07 -0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1jba n ASP 73 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1jba n ASN 74 N 0.43 -1.34 -3.68 -1.12 6.94 -1.26 -4.85 115.26 110.38 1jba n ASN 74 Ca 0.15 0.45 -0.11 0.00 -0.02 0.00 0.00 54.58 55.06 1jba n ASN 74 Cb 0.45 -1.28 -0.11 0.00 -2.36 0.00 0.00 39.78 36.48 1jba n ASN 74 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jba s THR 75 N -2.05 -0.33 -0.23 5.53 2.01 -1.26 -4.80 115.64 114.51 1jba s THR 75 Ca 0.00 0.16 -0.16 0.00 0.31 0.00 0.00 61.69 62.00 1jba s THR 75 Cb 0.00 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1jba s THR 75 CO 0.00 0.07 0.43 -0.63 -0.69 0.00 0.00 174.62 173.80 1jba s ILE 76 N 2.03 5.15 0.53 1.82 1.09 -0.87 -4.91 121.20 126.05 1jba s ILE 76 Ca -0.05 0.75 -0.07 0.00 -1.10 0.00 0.00 60.65 60.18 1jba s ILE 76 Cb -0.11 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 1jba s ILE 76 CO -0.11 0.19 0.87 -0.62 -0.10 0.00 0.00 174.94 175.17 1jba s ASP 77 N 1.28 6.21 0.43 3.58 2.15 -1.26 -1.30 116.67 127.76 1jba s ASP 77 Ca 0.19 1.08 0.28 0.00 0.43 0.00 0.00 52.55 54.53 1jba s ASP 77 Cb -0.15 -2.29 1.39 0.00 -0.30 0.00 0.00 42.92 41.57 1jba s ASP 77 CO 0.09 -0.70 1.63 0.15 -0.17 0.00 0.00 175.17 176.16 1jba h PHE 78 N 0.02 0.57 0.14 -5.34 3.57 -1.96 -0.16 116.94 113.78 1jba h PHE 78 Ca -0.46 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 1jba h PHE 78 Cb 1.20 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1jba h PHE 78 CO 0.60 -0.21 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.33 1jba h LEU 79 N 0.10 -0.16 -0.68 0.59 -0.00 -1.98 -1.78 115.31 111.41 1jba h LEU 79 Ca 0.81 0.01 0.11 0.00 -0.00 0.00 0.00 57.88 58.80 1jba h LEU 79 Cb 2.47 0.04 -0.12 0.00 -0.00 0.00 0.00 40.66 43.05 1jba h LEU 79 CO -0.45 -0.08 -0.39 -0.33 -0.00 0.00 0.00 178.44 177.19 1jba h GLU 80 N -0.25 -0.14 -0.10 1.13 5.08 -1.59 -0.49 114.58 118.21 1jba h GLU 80 Ca -0.02 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1jba h GLU 80 Cb 0.14 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1jba h GLU 80 CO 0.03 -0.10 -0.23 -0.92 -1.00 0.00 0.00 179.01 176.79 1jba h TYR 81 N -0.15 -0.70 -0.84 4.33 3.20 -1.15 -1.07 116.97 120.60 1jba h TYR 81 Ca 0.23 0.03 0.18 0.00 3.14 0.00 0.00 58.73 62.32 1jba h TYR 81 Cb 0.56 0.32 -0.16 0.00 1.54 0.00 0.00 36.73 38.99 1jba h TYR 81 CO -0.72 -0.22 -0.12 0.28 -1.64 0.00 0.00 178.16 175.74 1jba h VAL 82 N -0.22 0.19 -0.97 1.81 2.07 -0.48 1.47 116.25 120.11 1jba h VAL 82 Ca 0.02 -0.01 0.21 0.00 0.82 0.00 0.00 66.70 67.74 1jba h VAL 82 Cb 0.27 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.11 1jba h VAL 82 CO -0.21 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.00 1jba h ALA 83 N 1.83 1.99 -0.88 1.67 0.00 0.09 0.43 119.26 124.38 1jba h ALA 83 Ca 0.43 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.43 1jba h ALA 83 Cb 0.73 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1jba h ALA 83 CO -0.82 -0.33 0.57 0.00 0.00 0.00 0.00 179.25 178.67 1jba h ALA 84 N 1.62 1.16 0.37 0.00 0.00 0.31 -2.59 119.26 120.14 1jba h ALA 84 Ca 0.54 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1jba h ALA 84 Cb 1.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1jba h ALA 84 CO -0.28 0.43 -0.35 -0.07 0.00 0.00 0.00 179.25 178.97 1jba h LEU 85 N 1.12 -0.95 -0.96 0.00 3.38 0.21 -1.76 115.31 116.35 1jba h LEU 85 Ca 0.35 0.08 0.30 0.00 0.09 0.00 0.00 57.88 58.70 1jba h LEU 85 Cb -0.01 0.32 -0.17 0.00 0.09 0.00 0.00 40.66 40.89 1jba h LEU 85 CO -0.11 -0.50 0.27 0.78 0.09 0.00 0.00 178.44 178.96 1jba h ASN 86 N -0.75 -0.04 -0.35 -0.43 2.35 -1.17 1.86 115.58 117.04 1jba h ASN 86 Ca -0.03 0.24 0.04 0.00 -0.55 0.00 0.00 56.30 56.00 1jba h ASN 86 Cb 0.67 0.33 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 1jba h ASN 86 CO -0.05 -0.29 0.12 0.25 -1.65 0.00 0.00 177.43 175.81 1jba h LEU 87 N 0.10 0.13 0.00 1.61 7.12 -1.06 -3.27 115.31 119.94 1jba h LEU 87 Ca 0.66 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.71 1jba h LEU 87 Cb 1.48 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1jba h LEU 87 CO -0.77 0.11 0.00 0.52 -0.13 0.00 0.00 178.44 178.17 1jba n VAL 88 N -5.02 0.00 -1.55 1.05 0.31 0.25 -4.54 118.33 108.83 1jba n VAL 88 Ca 0.01 0.40 -0.46 0.00 -0.01 0.00 0.00 64.34 64.28 1jba n VAL 88 Cb 0.13 -1.36 -0.05 0.00 -0.91 0.00 0.00 33.84 31.65 1jba n VAL 88 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1jba n LEU 89 N -2.19 2.88 -2.91 7.52 7.94 0.56 -3.69 117.00 127.12 1jba n LEU 89 Ca 0.00 0.33 -0.01 0.00 -1.11 0.00 0.00 56.01 55.23 1jba n LEU 89 Cb 0.00 -1.44 -0.00 0.00 0.53 0.00 0.00 43.42 42.51 1jba n LEU 89 CO 0.00 -0.65 -0.48 0.54 -1.11 0.00 0.00 177.39 175.69 1jba n ARG 90 N 8.42 -2.28 -3.47 1.96 3.00 -1.26 -3.86 116.66 119.16 1jba n ARG 90 Ca 0.33 2.02 -0.10 0.00 -0.01 0.00 0.00 57.85 60.09 1jba n ARG 90 Cb 0.36 -3.42 -0.02 0.00 0.00 0.00 0.00 32.46 29.38 1jba n ARG 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1jba s GLY 91 N -1.19 -0.53 0.00 -0.13 0.00 -1.23 -4.66 107.32 99.57 1jba s GLY 91 Ca -0.03 0.82 0.00 0.00 0.00 0.00 0.00 44.72 45.51 1jba s GLY 91 CO 0.44 0.29 0.00 2.41 0.00 0.00 0.00 173.10 176.24 1jba n THR 92 N -0.26 0.00 -0.89 0.90 -1.04 -1.26 -5.00 114.28 106.73 1jba n THR 92 Ca -0.13 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.54 1jba n THR 92 Cb 0.63 0.19 0.08 0.00 -1.82 0.00 0.00 70.33 69.42 1jba n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jba n LEU 93 N 0.00 -2.96 -0.03 -4.42 -0.00 -1.26 -4.86 117.00 103.47 1jba n LEU 93 Ca 0.00 0.26 0.13 0.00 -0.00 0.00 0.00 56.01 56.39 1jba n LEU 93 Cb 0.00 -0.99 0.36 0.00 -0.00 0.00 0.00 43.42 42.79 1jba n LEU 93 CO 0.00 -4.75 0.60 -1.84 -0.00 0.00 0.00 177.39 171.40 1jba n GLU 94 N 0.27 0.14 0.19 1.47 0.28 -1.26 -4.15 120.64 117.58 1jba n GLU 94 Ca 0.03 -0.07 0.08 0.00 -0.16 0.00 0.00 57.16 57.03 1jba n GLU 94 Cb 0.55 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 32.05 1jba n GLU 94 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jba h HIS 95 N 0.16 0.00 -0.95 -1.84 2.76 -2.02 -0.39 115.15 112.87 1jba h HIS 95 Ca 0.00 0.00 0.28 0.00 -2.20 0.00 0.00 60.37 58.45 1jba h HIS 95 Cb 0.49 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 29.30 1jba h HIS 95 CO 0.00 0.00 0.44 0.87 -1.30 0.00 0.00 177.93 177.94 1jba h LYS 96 N 0.00 0.29 0.00 5.26 1.57 -1.96 -2.29 116.57 119.44 1jba h LYS 96 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1jba h LYS 96 Cb 2.20 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.44 1jba h LYS 96 CO -0.00 0.19 0.00 1.28 -0.57 0.00 0.00 179.45 180.35 1jba n LEU 97 N -5.11 0.00 -0.53 2.94 4.77 -0.16 0.13 117.00 119.04 1jba n LEU 97 Ca 0.27 0.43 0.42 0.00 -0.03 0.00 0.00 56.01 57.10 1jba n LEU 97 Cb 0.85 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.61 1jba n LEU 97 CO 0.09 0.00 1.21 0.29 -1.33 0.00 0.00 177.39 177.64 1jba n LYS 98 N -0.56 -0.02 0.04 3.23 4.76 -1.13 -0.52 118.16 123.96 1jba n LYS 98 Ca 0.00 1.03 -0.04 0.00 -2.87 0.00 0.00 58.31 56.43 1jba n LYS 98 Cb 0.00 -2.21 -0.03 0.00 -1.84 0.00 0.00 35.03 30.96 1jba n LYS 98 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 1jba h TRP 99 N 0.00 -0.19 -0.70 2.13 7.01 -0.87 -2.85 115.95 120.48 1jba h TRP 99 Ca 0.81 -0.00 0.20 0.00 2.11 0.00 0.00 58.89 62.01 1jba h TRP 99 Cb 2.96 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 30.06 1jba h TRP 99 CO -0.00 -0.04 0.54 0.00 -2.79 0.00 0.00 178.44 176.14 1jba h THR 100 N -1.04 0.55 -0.22 2.65 1.03 0.38 0.19 112.91 116.45 1jba h THR 100 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.34 1jba h THR 100 Cb 0.24 0.61 -0.01 0.00 -1.07 0.00 0.00 68.15 67.92 1jba h THR 100 CO 0.04 0.00 -0.01 0.15 -0.01 0.00 0.00 175.52 175.68 1jba h PHE 101 N 0.00 0.43 -0.51 0.00 3.57 -1.06 -2.63 116.94 116.74 1jba h PHE 101 Ca 0.33 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.84 1jba h PHE 101 Cb 1.40 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 1jba h PHE 101 CO 0.00 0.59 0.35 -0.22 -2.23 0.00 0.00 178.31 176.80 1jba h LYS 102 N 0.15 0.31 0.52 1.11 1.63 -0.37 -2.64 116.57 117.27 1jba h LYS 102 Ca 0.06 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1jba h LYS 102 Cb 0.43 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1jba h LYS 102 CO 0.01 0.20 -0.25 0.82 -3.45 0.00 0.00 179.45 176.79 1jba h ILE 103 N 0.31 0.41 0.00 2.00 1.08 -1.10 -1.82 117.51 118.38 1jba h ILE 103 Ca 0.23 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1jba h ILE 103 Cb 0.51 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1jba h ILE 103 CO -0.05 0.05 0.00 -1.22 -0.69 0.00 0.00 178.15 176.23 1jba n TYR 104 N -5.30 0.00 -2.69 1.37 4.01 -1.00 -1.59 117.16 111.96 1jba n TYR 104 Ca -0.11 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.45 1jba n TYR 104 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.77 2.80 0.12 7.72 2.03 -0.69 -3.43 116.55 124.34 1jba n ASP 105 Ca 0.00 -3.20 0.19 0.00 0.52 0.00 0.00 54.79 52.31 1jba n ASP 105 Cb 0.00 -0.52 0.76 0.00 -0.72 0.00 0.00 41.12 40.64 1jba n ASP 105 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1jba h LYS 106 N 2.85 0.00 0.00 -0.67 5.09 -1.34 0.41 116.57 122.91 1jba h LYS 106 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.81 1jba h LYS 106 Cb 1.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.32 1jba h LYS 106 CO 0.65 0.00 -0.10 0.38 -2.09 0.00 0.00 179.45 178.29 1jba h ASP 107 N 0.00 0.00 -5.29 7.07 3.04 -1.89 -3.48 116.42 115.87 1jba h ASP 107 Ca 0.17 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.96 1jba h ASP 107 Cb 0.93 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 39.15 1jba h ASP 107 CO -0.00 0.10 -1.20 0.54 -2.04 0.00 0.00 179.24 176.64 1jba n ARG 108 N -3.26 -3.60 0.00 4.15 1.74 0.15 -4.99 116.66 110.84 1jba n ARG 108 Ca 0.00 2.82 0.00 0.00 -0.77 0.00 0.00 57.85 59.91 1jba n ARG 108 Cb 0.34 -4.37 0.00 0.00 -1.02 0.00 0.00 32.46 27.41 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1jba n ASN 109 N 1.50 0.00 0.00 0.55 0.23 -1.26 -5.02 115.26 111.25 1jba n ASN 109 Ca -0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.83 1jba n ASN 109 Cb 0.38 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jba n GLY 110 N -0.17 0.47 3.26 4.83 0.00 -1.26 -5.12 105.19 107.19 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 -3.33 4.11 0.28 0.00 1.01 -0.76 -4.90 121.20 117.62 1jba s ILE 112 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 60.65 60.45 1jba s ILE 112 Cb 0.02 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1jba s ILE 112 CO -0.08 0.59 -0.15 -0.62 0.00 0.00 0.00 174.94 174.67 1jba s ASP 113 N -0.71 3.80 0.27 3.58 -1.08 -1.26 -2.40 116.67 118.88 1jba s ASP 113 Ca 0.11 -0.95 -0.06 0.00 -0.52 0.00 0.00 52.55 51.13 1jba s ASP 113 Cb -0.12 -0.42 0.50 0.00 -1.46 0.00 0.00 42.92 41.43 1jba s ASP 113 CO 0.02 0.02 1.59 0.03 0.52 0.00 0.00 175.17 177.35 1jba h ARG 114 N 2.18 0.02 0.00 4.34 2.47 -1.97 0.88 114.38 122.29 1jba h ARG 114 Ca -0.41 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1jba h ARG 114 Cb 1.26 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1jba h ARG 114 CO 0.60 0.01 0.00 0.37 0.56 0.00 0.00 179.97 181.52 1jba h GLN 115 N 0.02 0.00 0.00 0.04 -0.00 -1.98 -2.59 115.11 110.60 1jba h GLN 115 Ca 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.13 1jba h GLN 115 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.31 1jba h GLN 115 CO -0.88 0.00 -0.00 0.93 0.00 0.00 0.00 178.83 178.88 1jba h GLU 116 N 0.00 -0.00 -0.60 1.69 5.08 0.50 -2.52 114.58 118.73 1jba h GLU 116 Ca 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 1jba h GLU 116 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1jba h GLU 116 CO 0.00 -0.00 0.43 1.37 -1.00 0.00 0.00 179.01 179.81 1jba h LEU 117 N -0.00 0.00 0.30 1.33 -0.00 -1.51 -0.37 115.31 115.06 1jba h LEU 117 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1jba h LEU 117 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1jba h LEU 117 CO 0.00 0.00 -0.14 0.25 -0.00 0.00 0.00 178.44 178.55 1jba h LEU 118 N 0.00 -0.34 -0.91 0.17 5.85 -1.57 -1.50 115.31 117.01 1jba h LEU 118 Ca 0.28 -0.07 0.25 0.00 0.84 0.00 0.00 57.88 59.19 1jba h LEU 118 Cb 1.15 0.09 -0.16 0.00 0.37 0.00 0.00 40.66 42.11 1jba h LEU 118 CO -0.00 -0.15 0.13 -0.78 -0.34 0.00 0.00 178.44 177.31 1jba h ASP 119 N -0.52 -0.23 0.51 1.25 1.82 -0.60 0.68 116.42 119.33 1jba h ASP 119 Ca -0.04 0.23 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 1jba h ASP 119 Cb 0.38 0.37 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1jba h ASP 119 CO 0.07 -0.26 -0.24 0.40 -1.61 0.00 0.00 179.24 177.60 1jba h ILE 120 N 0.10 0.47 -0.57 2.25 1.08 -1.25 -2.15 117.51 117.44 1jba h ILE 120 Ca 0.57 -0.22 0.11 0.00 -0.39 0.00 0.00 64.86 64.93 1jba h ILE 120 Cb 1.17 0.56 -0.09 0.00 -3.07 0.00 0.00 36.82 35.39 1jba h ILE 120 CO -0.77 0.04 0.05 0.58 -0.69 0.00 0.00 178.15 177.35 1jba h VAL 121 N -0.82 0.59 -0.86 1.67 2.07 0.38 0.31 116.25 119.58 1jba h VAL 121 Ca -0.07 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 67.59 1jba h VAL 121 Cb 0.58 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 30.64 1jba h VAL 121 CO 0.11 0.03 0.35 -0.08 0.02 0.00 0.00 177.57 178.00 1jba h GLU 122 N 0.17 0.38 -0.38 1.57 4.57 0.39 0.44 114.58 121.71 1jba h GLU 122 Ca 0.29 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 1jba h GLU 122 Cb 0.45 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1jba h GLU 122 CO -0.44 0.25 0.17 1.03 -1.18 0.00 0.00 179.01 178.83 1jba h SER 123 N 0.39 0.51 0.17 1.04 0.87 0.22 -0.47 113.55 116.29 1jba h SER 123 Ca 0.52 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1jba h SER 123 Cb 0.95 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1jba h SER 123 CO -0.51 0.52 -0.01 0.40 -0.53 0.00 0.00 176.83 176.69 1jba h ILE 124 N 0.47 0.14 0.00 2.23 5.03 0.97 0.29 117.51 126.65 1jba h ILE 124 Ca 0.13 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 1jba h ILE 124 Cb 0.16 1.10 0.00 0.00 -3.03 0.00 0.00 36.82 35.05 1jba h ILE 124 CO -0.01 0.01 0.00 0.00 -0.68 0.00 0.00 178.15 177.47 1jba n TYR 125 N -3.26 0.00 0.20 1.37 9.36 0.76 -2.51 117.16 123.07 1jba n TYR 125 Ca -0.02 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.38 1jba n TYR 125 Cb 0.12 -0.49 0.81 0.00 -0.63 0.00 0.00 39.34 39.16 1jba n TYR 125 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 1jba h LYS 126 N 0.00 0.00 0.43 2.98 2.10 -1.23 -0.95 116.57 119.90 1jba h LYS 126 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1jba h LYS 126 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jba h LYS 126 CO 0.00 0.00 -0.21 1.25 -2.00 0.00 0.00 179.45 178.49 1jba h LEU 127 N 0.00 -0.49 -2.33 7.07 5.85 -1.03 -2.33 115.31 122.05 1jba h LEU 127 Ca 0.11 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1jba h LEU 127 Cb 0.74 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1jba h LEU 127 CO -0.00 -0.08 -0.04 0.50 -0.34 0.00 0.00 178.44 178.48 1jba h LYS 128 N -1.00 0.00 -0.21 1.25 3.64 -1.02 -0.43 116.57 118.80 1jba h LYS 128 Ca -0.06 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1jba h LYS 128 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1jba h LYS 128 CO 0.10 0.04 -0.51 -0.22 -2.27 0.00 0.00 179.45 176.58 1jba h LYS 129 N 0.00 0.58 -0.18 1.90 3.64 -1.08 -2.94 116.57 118.49 1jba h LYS 129 Ca -0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1jba h LYS 129 Cb 0.18 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1jba h LYS 129 CO 0.01 0.95 0.00 0.00 -2.27 0.00 0.00 179.45 178.14 1jba n ALA 130 N -2.52 2.48 -0.41 5.00 0.00 -0.61 -4.43 120.51 120.02 1jba n ALA 130 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1jba n ALA 130 Cb 0.58 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.93 -0.11 -4.22 0.00 7.64 -1.26 -5.10 113.62 108.63 1jba n SER 132 Ca 0.00 -0.64 -0.13 0.00 1.01 0.00 0.00 58.87 59.11 1jba n SER 132 Cb 0.00 0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 1jba n SER 132 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jba s VAL 133 N 0.00 0.89 -0.05 0.44 0.11 -1.26 -5.08 120.40 115.44 1jba s VAL 133 Ca 0.00 -1.99 -0.14 0.00 -2.93 0.00 0.00 61.98 56.91 1jba s VAL 133 Cb 0.00 -1.84 -0.09 0.00 -1.53 0.00 0.00 36.38 32.92 1jba s VAL 133 CO 0.00 -0.74 0.58 -0.08 -3.33 0.00 0.00 175.10 171.52 1jba h GLU 134 N 2.84 -0.35 -0.08 1.54 4.57 -1.95 -3.43 114.58 117.71 1jba h GLU 134 Ca -0.36 0.02 0.28 0.00 -1.18 0.00 0.00 59.36 58.12 1jba h GLU 134 Cb 1.18 0.08 -0.25 0.00 -0.16 0.00 0.00 28.75 29.60 1jba h GLU 134 CO 0.64 -0.13 0.44 0.54 -1.18 0.00 0.00 179.01 179.32 1jba s VAL 135 N -3.02 -0.05 -0.03 0.32 0.11 -1.26 -4.93 120.40 111.54 1jba s VAL 135 Ca -0.08 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 1jba s VAL 135 Cb 0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1jba s VAL 135 CO 0.26 0.00 0.11 -0.33 -3.33 0.00 0.00 175.10 171.81 1jba h GLU 136 N 7.44 -0.04 0.00 1.54 5.08 -1.95 -3.45 114.58 123.20 1jba h GLU 136 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1jba h GLU 136 Cb 1.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1jba h GLU 136 CO -0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 179.01 177.92 1jba n ALA 137 N -2.24 0.00 -0.02 3.43 0.00 -1.26 -4.56 120.51 115.85 1jba n ALA 137 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1jba n ALA 137 Cb 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 1jba n ALA 137 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jba h GLU 138 N 0.31 0.16 -1.24 0.00 4.39 -1.89 -3.08 114.58 113.24 1jba h GLU 138 Ca 0.00 -0.26 -0.17 0.00 0.34 0.00 0.00 59.36 59.26 1jba h GLU 138 Cb 0.00 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.66 1jba h GLU 138 CO 0.00 1.13 0.22 0.94 -1.16 0.00 0.00 179.01 180.14 1jba n GLN 139 N -4.20 1.42 0.00 2.33 7.27 -1.26 -3.75 117.38 119.19 1jba n GLN 139 Ca -0.21 -0.93 0.00 0.00 0.07 0.00 0.00 57.00 55.93 1jba n GLN 139 Cb 0.76 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 32.04 1jba n GLN 139 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1jba n GLN 140 N 0.26 0.01 -2.21 3.69 6.02 -1.25 -5.14 117.38 118.76 1jba n GLN 140 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1jba n GLN 140 Cb 0.75 -0.50 0.00 0.00 1.02 0.00 0.00 30.24 31.51 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jba n GLY 141 N 1.27 0.14 2.47 1.08 0.00 -1.16 -4.94 105.19 104.04 1jba n GLY 141 Ca 0.00 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.20 1jba n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jba n LYS 142 N 0.00 3.94 -3.57 1.61 4.81 -1.26 -4.48 118.16 119.20 1jba n LYS 142 Ca 0.00 -3.10 -0.18 0.00 -0.87 0.00 0.00 58.31 54.17 1jba n LYS 142 Cb 0.00 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 32.56 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jba n LEU 143 N 1.52 -3.35 -4.97 3.14 4.32 -1.26 -4.97 117.00 111.42 1jba n LEU 143 Ca 0.59 -0.69 -0.19 0.00 -0.02 0.00 0.00 56.01 55.70 1jba n LEU 143 Cb 0.34 -2.12 0.01 0.00 -1.62 0.00 0.00 43.42 40.02 1jba n LEU 143 CO 0.58 -0.07 0.13 -1.48 -1.22 0.00 0.00 177.39 175.33 1jba s LEU 144 N -4.63 3.42 0.30 2.23 0.05 -1.26 -5.10 118.68 113.69 1jba s LEU 144 Ca 0.01 -0.65 -0.12 0.00 0.05 0.00 0.00 54.13 53.43 1jba s LEU 144 Cb -0.00 -2.20 -0.08 0.00 -2.05 0.00 0.00 46.19 41.86 1jba s LEU 144 CO 0.85 -0.86 0.66 0.42 -0.55 0.00 0.00 176.35 176.88 1jba s THR 145 N -2.47 4.81 -1.39 5.48 -4.23 -1.26 -4.89 115.64 111.69 1jba s THR 145 Ca 0.53 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1jba s THR 145 Cb -0.07 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1jba s THR 145 CO 0.32 -0.20 0.43 -2.65 -0.54 0.00 0.00 174.62 171.97 1jba n PRO 146 N -0.47 0.00 -0.00 3.99 -0.02 -1.26 -0.47 135.00 136.78 1jba n PRO 146 Ca 0.02 0.04 -0.14 0.00 -2.02 0.00 0.00 63.50 61.40 1jba n PRO 146 Cb 0.53 -1.52 -0.14 0.00 -0.02 0.00 0.00 33.50 32.35 1jba n PRO 146 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jba h GLU 147 N 0.00 0.12 0.00 -0.52 4.39 -1.99 -3.29 114.58 113.29 1jba h GLU 147 Ca 0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1jba h GLU 147 Cb 0.03 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1jba h GLU 147 CO 0.00 0.83 0.00 -1.91 -1.16 0.00 0.00 179.01 176.77 1jba n GLU 148 N -3.25 0.00 -0.26 2.33 2.13 0.38 -1.17 120.64 120.81 1jba n GLU 148 Ca -0.22 0.60 0.06 0.00 0.66 0.00 0.00 57.16 58.27 1jba n GLU 148 Cb 1.05 -1.49 0.19 0.00 0.27 0.00 0.00 31.44 31.45 1jba n GLU 148 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1jba h VAL 149 N 0.00 0.44 -0.97 6.31 3.04 -1.78 0.81 116.25 124.09 1jba h VAL 149 Ca 0.00 -0.07 0.23 0.00 -1.01 0.00 0.00 66.70 65.85 1jba h VAL 149 Cb 0.00 0.21 -0.08 0.00 -2.01 0.00 0.00 31.29 29.41 1jba h VAL 149 CO 0.00 0.04 0.64 0.58 -1.01 0.00 0.00 177.57 177.81 1jba h VAL 150 N 0.21 0.61 0.00 1.51 2.07 -1.57 1.23 116.25 120.30 1jba h VAL 150 Ca 0.43 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.72 1jba h VAL 150 Cb 0.77 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1jba h VAL 150 CO -0.57 0.07 -0.46 -0.78 0.02 0.00 0.00 177.57 175.85 1jba h ASP 151 N 0.40 0.00 0.91 0.57 1.82 0.21 -2.45 116.42 117.88 1jba h ASP 151 Ca 0.52 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.94 1jba h ASP 151 Cb 1.33 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.31 1jba h ASP 151 CO -0.22 0.46 -1.10 0.03 -1.61 0.00 0.00 179.24 176.80 1jba h ARG 152 N 0.00 0.03 -0.30 0.28 3.08 0.20 -2.74 114.38 114.93 1jba h ARG 152 Ca -0.00 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1jba h ARG 152 Cb 1.04 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 1jba h ARG 152 CO 0.06 0.97 -0.52 0.82 -1.07 0.00 0.00 179.97 180.23 1jba h ILE 153 N 0.01 1.28 0.29 2.04 2.04 -0.14 -2.71 117.51 120.31 1jba h ILE 153 Ca -0.05 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 1jba h ILE 153 Cb 1.82 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1jba h ILE 153 CO 0.13 0.56 -0.14 0.15 0.00 0.00 0.00 178.15 178.85 1jba h PHE 154 N 0.66 -0.36 -0.78 1.37 3.57 -1.51 -2.84 116.94 117.05 1jba h PHE 154 Ca 0.02 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1jba h PHE 154 Cb 1.12 0.12 -0.12 0.00 2.79 0.00 0.00 35.95 39.86 1jba h PHE 154 CO 0.07 -0.22 -0.47 1.25 -2.23 0.00 0.00 178.31 176.71 1jba h LEU 155 N -0.66 -1.66 -0.18 0.59 6.46 -1.61 0.45 115.31 118.70 1jba h LEU 155 Ca -0.04 0.28 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 1jba h LEU 155 Cb 0.30 0.77 -0.04 0.00 -0.73 0.00 0.00 40.66 40.95 1jba h LEU 155 CO 0.07 -0.30 -0.33 0.25 -0.62 0.00 0.00 178.44 177.50 1jba h LEU 156 N -0.12 -1.09 -3.25 2.25 5.85 -1.58 0.73 115.31 118.09 1jba h LEU 156 Ca 0.21 0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.92 1jba h LEU 156 Cb 0.54 0.44 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1jba h LEU 156 CO -0.82 -0.26 0.18 1.33 -0.34 0.00 0.00 178.44 178.53 1jba n VAL 157 N -4.30 2.38 -2.71 1.05 0.24 -0.60 -4.30 118.33 110.09 1jba n VAL 157 Ca -0.03 -1.06 -0.05 0.00 -2.04 0.00 0.00 64.34 61.17 1jba n VAL 157 Cb 0.21 -1.44 0.04 0.00 -1.47 0.00 0.00 33.84 31.19 1jba n VAL 157 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1jba n ASP 158 N 1.00 -2.18 -0.02 -1.34 2.03 0.25 -4.48 116.55 111.80 1jba n ASP 158 Ca 0.15 -2.10 -0.13 0.00 0.52 0.00 0.00 54.79 53.22 1jba n ASP 158 Cb 0.54 1.19 -0.14 0.00 -0.72 0.00 0.00 41.12 41.99 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jba n GLU 159 N 2.21 0.68 0.13 -0.67 0.00 -1.23 -3.97 120.64 117.80 1jba n GLU 159 Ca 0.10 0.26 0.18 0.00 0.00 0.00 0.00 57.16 57.71 1jba n GLU 159 Cb 0.64 -1.74 0.77 0.00 0.00 0.00 0.00 31.44 31.11 1jba n GLU 159 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.13 174.18 1jba h ASN 160 N 0.03 0.00 -4.55 4.31 7.08 -1.95 -3.45 115.58 117.05 1jba h ASN 160 Ca -0.36 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 52.54 1jba h ASN 160 Cb 2.03 0.00 0.10 0.00 -2.08 0.00 0.00 38.32 38.37 1jba h ASN 160 CO 0.07 0.00 -0.52 0.61 -2.08 0.00 0.00 177.43 175.51 1jba n GLY 161 N -1.48 -0.24 0.00 9.14 0.00 -1.25 -4.85 105.19 106.51 1jba n GLY 161 Ca 0.05 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1jba n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jba n ASP 162 N -1.96 0.00 0.00 1.61 8.00 -1.26 -4.82 116.55 118.12 1jba n ASP 162 Ca -0.01 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1jba n ASP 162 Cb 0.56 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jba n GLY 163 N 0.36 3.05 3.09 0.44 0.00 -1.26 -4.95 105.19 105.91 1jba n GLY 163 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.11 1.69 -0.65 1.61 -1.52 -1.26 -4.96 119.66 114.45 1jba s GLN 164 Ca 0.00 -0.52 -0.23 0.00 -1.95 0.00 0.00 55.36 52.67 1jba s GLN 164 Cb 0.00 -1.44 0.07 0.00 -0.22 0.00 0.00 33.01 31.42 1jba s GLN 164 CO 0.00 0.16 0.96 -1.17 -0.25 0.00 0.00 175.29 174.98 1jba s LEU 165 N 0.26 4.40 0.90 2.90 2.96 -1.01 -4.94 118.68 124.16 1jba s LEU 165 Ca -0.08 -0.98 -0.12 0.00 -0.22 0.00 0.00 54.13 52.73 1jba s LEU 165 Cb -0.13 -2.43 0.18 0.00 0.50 0.00 0.00 46.19 44.32 1jba s LEU 165 CO 0.03 -1.43 1.24 -0.55 -1.32 0.00 0.00 176.35 174.32 1jba s SER 166 N 3.66 3.41 -0.03 3.68 0.15 -1.26 -1.82 113.70 121.48 1jba s SER 166 Ca 0.22 0.09 -0.20 0.00 0.70 0.00 0.00 55.95 56.76 1jba s SER 166 Cb -0.17 -0.20 -0.12 0.00 -1.71 0.00 0.00 66.02 63.81 1jba s SER 166 CO 0.10 -2.53 0.84 0.25 1.20 0.00 0.00 173.24 173.11 1jba h LEU 167 N -1.37 -0.44 -1.00 3.45 5.85 -1.96 -1.95 115.31 117.90 1jba h LEU 167 Ca -0.42 -0.09 0.37 0.00 0.84 0.00 0.00 57.88 58.58 1jba h LEU 167 Cb 1.24 0.11 -0.18 0.00 0.37 0.00 0.00 40.66 42.20 1jba h LEU 167 CO 0.38 0.01 0.39 -0.55 -0.34 0.00 0.00 178.44 178.33 1jba h ASN 168 N -1.04 0.10 -0.05 1.25 -1.07 -2.00 0.57 115.58 113.34 1jba h ASN 168 Ca -0.05 0.26 -0.09 0.00 0.07 0.00 0.00 56.30 56.49 1jba h ASN 168 Cb 0.50 0.33 0.00 0.00 -2.07 0.00 0.00 38.32 37.08 1jba h ASN 168 CO 0.09 -0.40 -0.33 -0.33 0.07 0.00 0.00 177.43 176.53 1jba h GLU 169 N 0.02 0.31 0.01 4.14 5.08 -1.90 -2.72 114.58 119.51 1jba h GLU 169 Ca 0.77 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1jba h GLU 169 Cb 1.93 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1jba h GLU 169 CO -0.81 0.92 -0.09 0.35 -1.00 0.00 0.00 179.01 178.39 1jba h PHE 170 N -0.21 -0.25 -0.78 4.33 3.57 0.91 -0.73 116.94 123.78 1jba h PHE 170 Ca -0.03 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.66 1jba h PHE 170 Cb 1.00 0.11 -0.13 0.00 2.79 0.00 0.00 35.95 39.72 1jba h PHE 170 CO 0.14 -0.10 0.12 -0.39 -2.23 0.00 0.00 178.31 175.85 1jba h VAL 171 N -0.12 0.40 0.00 1.41 -1.51 -1.36 1.94 116.25 117.01 1jba h VAL 171 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1jba h VAL 171 Cb 0.12 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.47 1jba h VAL 171 CO -0.05 0.03 0.17 -0.08 -1.23 0.00 0.00 177.57 176.41 1jba h GLU 172 N 0.19 0.00 0.00 5.19 4.57 -1.02 2.26 114.58 125.76 1jba h GLU 172 Ca 0.45 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.59 1jba h GLU 172 Cb 0.81 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 1jba h GLU 172 CO -0.61 0.00 -1.60 0.41 -1.18 0.00 0.00 179.01 176.04 1jba n GLY 173 N -1.19 -0.56 0.29 1.92 0.00 0.59 -4.55 105.19 101.69 1jba n GLY 173 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.78 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 174 N -2.01 2.85 0.08 4.61 0.00 0.27 -4.45 120.51 121.86 1jba n ALA 174 Ca -0.05 -0.48 -0.01 0.00 0.00 0.00 0.00 53.44 52.91 1jba n ALA 174 Cb 0.41 -0.40 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 1jba n ALA 174 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1jba h ARG 175 N 1.41 0.00 -2.31 0.00 2.43 0.35 -3.42 114.38 112.84 1jba h ARG 175 Ca 0.00 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.70 1jba h ARG 175 Cb 0.40 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 29.60 1jba h ARG 175 CO 0.00 0.52 -0.76 1.03 -1.51 0.00 0.00 179.97 179.25 1jba s ARG 176 N -2.88 0.53 0.00 0.20 1.81 -1.26 -5.08 118.95 112.27 1jba s ARG 176 Ca 0.01 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.05 1jba s ARG 176 Cb 0.08 -1.00 0.00 0.00 -0.45 0.00 0.00 34.95 33.58 1jba s ARG 176 CO 0.78 -1.17 0.00 -3.47 -0.68 0.00 0.00 175.30 170.76 1jba n ASP 177 N 4.33 1.29 0.00 0.23 -0.08 -1.26 -4.92 116.55 116.13 1jba n ASP 177 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1jba n ASP 177 Cb 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1jba n LYS 178 N 0.00 0.00 -0.08 -0.67 3.00 -1.26 -4.99 118.16 114.16 1jba n LYS 178 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 1jba n LYS 178 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1jba n LYS 178 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 1jba n TRP 179 N -1.64 0.38 -0.05 5.64 4.27 -1.26 -4.21 117.44 120.57 1jba n TRP 179 Ca 0.00 0.11 -0.12 0.00 -3.89 0.00 0.00 57.50 53.60 1jba n TRP 179 Cb 0.00 -1.06 -0.06 0.00 -1.36 0.00 0.00 31.31 28.83 1jba n TRP 179 CO 0.00 0.00 0.00 -0.39 -2.29 0.00 0.00 177.69 175.01 1jba h VAL 180 N 0.01 0.12 0.06 -1.67 -1.51 -1.94 -0.97 116.25 110.35 1jba h VAL 180 Ca -0.49 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 64.99 1jba h VAL 180 Cb 2.06 0.12 -0.04 0.00 -2.13 0.00 0.00 31.29 31.30 1jba h VAL 180 CO 0.01 0.00 -0.45 -0.03 -1.23 0.00 0.00 177.57 175.87 1jba h MET 181 N -0.44 -0.58 -0.30 5.19 1.85 -1.90 0.60 114.93 119.35 1jba h MET 181 Ca 0.09 0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.25 1jba h MET 181 Cb 0.61 0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.73 1jba h MET 181 CO -0.46 -0.39 -0.26 -0.22 -0.40 0.00 0.00 176.91 175.18 1jba h LYS 182 N -0.60 -0.10 -0.15 0.39 3.64 -1.63 2.44 116.57 120.56 1jba h LYS 182 Ca 0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1jba h LYS 182 Cb 0.62 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1jba h LYS 182 CO -0.27 -0.07 0.18 1.98 -2.27 0.00 0.00 179.45 179.00 1jba h MET 183 N -0.10 0.00 0.00 1.90 4.05 -0.97 0.38 114.93 120.18 1jba h MET 183 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1jba h MET 183 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1jba h MET 183 CO -0.34 0.00 -0.06 1.28 0.23 0.00 0.00 176.91 178.03 1jba n LEU 184 N -3.73 0.19 -1.63 3.39 4.77 0.21 -4.49 117.00 115.71 1jba n LEU 184 Ca 0.01 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1jba n LEU 184 Cb 0.29 -0.54 0.09 0.00 -2.33 0.00 0.00 43.42 40.93 1jba n LEU 184 CO 0.26 -0.50 0.90 0.00 -1.33 0.00 0.00 177.39 176.73 1jba n GLN 185 N -2.51 1.64 0.00 3.23 6.02 0.77 -4.92 117.38 121.60 1jba n GLN 185 Ca -0.01 -1.53 0.00 0.00 -0.01 0.00 0.00 57.00 55.45 1jba n GLN 185 Cb 0.03 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.69 1jba n GLN 185 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1jba n MET 186 N -0.34 0.00 0.00 -1.09 0.00 0.13 -4.82 117.12 111.00 1jba n MET 186 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.01 1jba n MET 186 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.32 1jba n MET 186 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1jba n ASP 187 N 1.24 0.00 0.00 6.12 2.03 -1.26 -4.15 116.55 120.54 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1jba n ASP 187 Cb 0.00 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1jba n ASP 187 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1jba n LEU 188 N -2.18 0.00 0.04 -2.67 4.77 -1.26 -5.06 117.00 110.64 1jba n LEU 188 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jba n LEU 188 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jba n LEU 188 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.65 1jba n ASN 189 N 0.00 -0.72 0.00 -1.43 3.02 -1.26 -5.27 115.26 109.60 1jba n ASN 189 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1jba n ASN 189 Cb 0.00 0.91 0.02 0.00 -0.61 0.00 0.00 39.78 40.11 1jba n ASN 189 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99