#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 0.68 -3.00 1.61 3.00 -1.26 -4.83 117.38 113.58 1jba n GLN 3 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1jba n GLN 3 Cb 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 30.24 29.02 1jba n GLN 3 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1jba s GLN 4 N 0.41 4.29 -0.67 -1.09 -1.52 -1.26 -4.97 119.66 114.85 1jba s GLN 4 Ca 0.00 0.97 -0.02 0.00 -1.95 0.00 0.00 55.36 54.36 1jba s GLN 4 Cb 0.00 -2.72 0.31 0.00 -0.22 0.00 0.00 33.01 30.38 1jba s GLN 4 CO 0.00 0.29 2.17 0.34 -0.25 0.00 0.00 175.29 177.84 1jba n PHE 5 N 0.38 2.64 -0.25 0.91 7.35 -1.26 -4.94 117.46 122.29 1jba n PHE 5 Ca 0.01 -2.41 0.00 0.00 -0.76 0.00 0.00 57.45 54.28 1jba n PHE 5 Cb 0.51 -1.28 0.00 0.00 0.35 0.00 0.00 39.48 39.07 1jba n PHE 5 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1jba n SER 6 N -0.29 -0.36 0.00 -2.13 2.88 -1.26 -4.83 113.62 107.63 1jba n SER 6 Ca 0.53 -0.25 0.07 0.00 -1.33 0.00 0.00 58.87 57.89 1jba n SER 6 Cb 0.45 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.31 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 -1.28 0.00 -0.30 0.66 8.01 -1.26 -3.95 117.44 119.32 1jba n TRP 7 Ca 0.00 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.29 1jba n TRP 7 Cb 0.00 0.00 0.24 0.00 -2.01 0.00 0.00 31.31 29.54 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 0.09 -0.13 -0.99 5.08 -1.92 0.14 114.58 116.85 1jba h GLU 8 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1jba h GLU 8 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1jba h GLU 8 CO 0.00 0.06 0.03 0.93 -1.00 0.00 0.00 179.01 179.03 1jba h GLU 9 N 0.09 0.21 -1.20 2.33 3.07 -1.95 -1.28 114.58 115.85 1jba h GLU 9 Ca 0.52 -0.05 0.40 0.00 -0.50 0.00 0.00 59.36 59.72 1jba h GLU 9 Cb 1.00 -0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 28.75 1jba h GLU 9 CO -0.76 0.38 0.75 0.00 -1.40 0.00 0.00 179.01 177.99 1jba h ALA 10 N 0.82 2.49 0.04 3.43 0.00 -1.00 1.36 119.26 126.39 1jba h ALA 10 Ca 0.04 0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.83 1jba h ALA 10 Cb 0.27 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1jba h ALA 10 CO 0.00 -1.12 -1.37 0.93 0.00 0.00 0.00 179.25 177.70 1jba h GLU 11 N 0.15 0.08 0.00 0.00 5.08 -1.11 -3.20 114.58 115.58 1jba h GLU 11 Ca 0.79 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 59.02 1jba h GLU 11 Cb 2.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.58 1jba h GLU 11 CO -0.48 0.89 0.00 -1.91 -1.00 0.00 0.00 179.01 176.51 1jba n GLU 12 N -3.29 0.48 0.01 2.33 4.07 0.45 -1.85 120.64 122.84 1jba n GLU 12 Ca -0.10 0.01 -0.05 0.00 -0.06 0.00 0.00 57.16 56.97 1jba n GLU 12 Cb 1.00 -1.50 -0.11 0.00 -0.06 0.00 0.00 31.44 30.78 1jba n GLU 12 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1jba h ASN 13 N 0.00 0.00 0.00 4.31 2.35 -1.06 -3.48 115.58 117.69 1jba h ASN 13 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jba h ASN 13 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1jba h ASN 13 CO 0.00 0.81 0.00 0.61 -1.65 0.00 0.00 177.43 177.20 1jba n GLY 14 N 1.46 2.34 3.17 2.83 0.00 -0.77 -5.02 105.19 109.20 1jba n GLY 14 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.21 -1.80 -0.12 4.61 0.00 -1.26 -4.99 121.76 115.98 1jba s ALA 15 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1jba s ALA 15 Cb 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1jba s ALA 15 CO 0.00 -1.20 0.42 1.33 0.00 0.00 0.00 175.76 176.31 1jba n VAL 16 N 5.41 0.39 0.00 0.00 0.24 -1.25 -4.83 118.33 118.29 1jba n VAL 16 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1jba n VAL 16 Cb 0.50 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 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 0.72 0.61 0.28 7.63 0.00 -1.26 -3.83 105.19 109.34 1jba n GLY 17 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 4.00 0.00 0.18 4.61 0.00 -1.26 -4.94 120.51 123.10 1jba n ALA 18 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1jba n ALA 18 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.71 2.40 -1.00 0.00 0.00 -1.26 -4.59 120.51 113.36 1jba n ALA 19 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1jba n ALA 19 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.46 0.00 -0.32 0.00 2.03 -1.25 -0.67 116.55 117.80 1jba n ASP 20 Ca 0.19 0.00 0.20 0.00 0.52 0.00 0.00 54.79 55.71 1jba n ASP 20 Cb 0.59 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 41.41 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jba h ALA 21 N -2.30 1.71 -0.89 -1.67 0.00 -1.85 0.82 119.26 115.08 1jba h ALA 21 Ca 0.00 0.21 0.23 0.00 0.00 0.00 0.00 54.91 55.35 1jba h ALA 21 Cb 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 17.90 1jba h ALA 21 CO 0.00 -0.56 0.36 0.00 0.00 0.00 0.00 179.25 179.04 1jba h ALA 22 N 1.85 1.40 -0.40 0.00 0.00 -1.79 0.46 119.26 120.77 1jba h ALA 22 Ca 0.68 0.18 -0.14 0.00 0.00 0.00 0.00 54.91 55.62 1jba h ALA 22 Cb 1.51 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1jba h ALA 22 CO -0.65 -0.38 -0.31 0.37 0.00 0.00 0.00 179.25 178.29 1jba h GLN 23 N 0.35 0.92 -0.17 0.00 -0.00 0.30 -2.76 115.11 113.75 1jba h GLN 23 Ca 0.56 -0.45 -0.04 0.00 -0.00 0.00 0.00 58.65 58.72 1jba h GLN 23 Cb 1.09 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.55 1jba h GLN 23 CO -0.56 1.11 -0.09 -0.07 0.00 0.00 0.00 178.83 179.22 1jba h LEU 24 N 0.74 0.24 0.42 -2.39 -0.00 0.10 -1.86 115.31 112.56 1jba h LEU 24 Ca 0.08 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1jba h LEU 24 Cb 0.89 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1jba h LEU 24 CO 0.08 0.36 -0.20 -0.61 -0.00 0.00 0.00 178.44 178.07 1jba h GLN 25 N 0.25 -0.55 -1.00 1.13 4.15 -0.06 -2.21 115.11 116.82 1jba h GLN 25 Ca 0.05 0.04 0.25 0.00 0.77 0.00 0.00 58.65 59.76 1jba h GLN 25 Cb 0.32 0.12 -0.13 0.00 0.21 0.00 0.00 27.48 28.01 1jba h GLN 25 CO 0.02 -0.36 0.59 1.49 -1.93 0.00 0.00 178.83 178.63 1jba h GLU 26 N -0.68 0.56 -0.88 1.69 4.57 -1.46 0.79 114.58 119.16 1jba h GLU 26 Ca -0.06 -0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.20 1jba h GLU 26 Cb 0.44 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 1jba h GLU 26 CO 0.10 0.37 0.57 2.35 -1.18 0.00 0.00 179.01 181.21 1jba h TRP 27 N 0.57 0.91 0.06 0.92 2.91 -1.19 0.22 115.95 120.35 1jba h TRP 27 Ca 0.65 0.02 -0.25 0.00 1.13 0.00 0.00 58.89 60.45 1jba h TRP 27 Cb 1.23 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.58 1jba h TRP 27 CO -0.01 0.40 -1.16 -0.92 -1.03 0.00 0.00 178.44 175.72 1jba h TYR 28 N 0.82 0.24 -0.24 2.65 5.03 0.11 -1.84 116.97 123.74 1jba h TYR 28 Ca 0.42 -0.17 -0.12 0.00 2.58 0.00 0.00 58.73 61.44 1jba h TYR 28 Cb 0.49 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 1jba h TYR 28 CO -0.00 1.14 -0.36 -0.22 -1.32 0.00 0.00 178.16 177.40 1jba h LYS 29 N 0.04 0.52 0.00 1.82 1.63 0.55 -2.64 116.57 118.48 1jba h LYS 29 Ca -0.09 -0.24 -0.08 0.00 -0.85 0.00 0.00 60.65 59.39 1jba h LYS 29 Cb 1.88 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.49 1jba h LYS 29 CO 0.16 0.80 -0.91 -0.22 -3.45 0.00 0.00 179.45 175.83 1jba h LYS 30 N 0.44 0.00 -0.27 1.90 3.64 -0.69 -3.33 116.57 118.26 1jba h LYS 30 Ca 0.05 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 1jba h LYS 30 Cb 0.83 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1jba h LYS 30 CO 0.07 0.21 -0.47 0.35 -2.27 0.00 0.00 179.45 177.34 1jba h PHE 31 N 0.00 0.88 0.00 1.91 3.57 -1.18 -2.70 116.94 119.42 1jba h PHE 31 Ca -0.06 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1jba h PHE 31 Cb 1.29 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1jba h PHE 31 CO 0.00 1.05 0.00 1.28 -2.23 0.00 0.00 178.31 178.41 1jba n LEU 32 N -4.01 0.00 0.26 0.59 4.32 -1.01 -2.59 117.00 114.56 1jba n LEU 32 Ca -0.03 0.48 0.17 0.00 -0.02 0.00 0.00 56.01 56.61 1jba n LEU 32 Cb 0.57 -0.48 0.73 0.00 -1.62 0.00 0.00 43.42 42.63 1jba n LEU 32 CO 0.48 -0.13 0.99 -0.08 -1.22 0.00 0.00 177.39 177.43 1jba h GLU 33 N 0.00 0.00 -0.03 3.23 4.81 -1.58 -1.27 114.58 119.74 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 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1jba h GLU 33 CO 0.00 0.00 -0.05 -1.91 -0.73 0.00 0.00 179.01 176.32 1jba n GLU 34 N -2.91 1.97 -2.93 1.92 4.07 -1.07 -4.78 120.64 116.91 1jba n GLU 34 Ca 0.00 -1.71 0.01 0.00 -0.06 0.00 0.00 57.16 55.40 1jba n GLU 34 Cb 0.25 -1.42 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jba s PRO 36 N 1.80 2.22 0.00 0.00 0.02 -1.07 -3.62 135.00 134.36 1jba s PRO 36 Ca 0.16 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.37 1jba s PRO 36 Cb 0.01 -4.54 0.00 0.00 0.02 0.00 0.00 34.50 29.99 1jba s PRO 36 CO -0.11 -3.16 0.00 -1.13 -0.33 0.00 0.00 177.00 172.27 1jba n SER 37 N 15.17 0.00 -0.87 2.53 3.41 -1.26 -4.97 113.62 127.62 1jba n SER 37 Ca 0.33 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.85 1jba n SER 37 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.00 0.42 3.27 5.00 0.00 -1.24 -5.00 105.19 107.64 1jba n GLY 38 Ca 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.39 0.11 -0.06 2.61 -4.23 -1.26 -4.51 115.64 105.90 1jba s THR 39 Ca 0.00 -0.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 1jba s THR 39 Cb 0.00 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 1jba s THR 39 CO 0.00 -0.48 -0.25 -0.22 -0.54 0.00 0.00 174.62 173.13 1jba s LEU 40 N -2.85 2.06 0.31 4.79 0.20 0.66 -4.97 118.68 118.88 1jba s LEU 40 Ca 0.05 -0.51 -0.04 0.00 0.69 0.00 0.00 54.13 54.32 1jba s LEU 40 Cb 0.03 -1.36 -0.05 0.00 -0.43 0.00 0.00 46.19 44.39 1jba s LEU 40 CO -0.10 0.24 0.56 0.12 -0.29 0.00 0.00 176.35 176.88 1jba s PHE 41 N -0.12 3.48 0.21 5.38 5.36 -1.26 -0.67 117.98 130.36 1jba s PHE 41 Ca -0.05 0.61 -0.09 0.00 -0.96 0.00 0.00 56.93 56.45 1jba s PHE 41 Cb -0.14 -2.08 0.16 0.00 -0.34 0.00 0.00 43.02 40.62 1jba s PHE 41 CO 0.04 0.14 1.82 0.00 -1.46 0.00 0.00 175.22 175.76 1jba h MET 42 N 1.48 1.13 -0.32 10.12 -0.00 -1.98 -1.98 114.93 123.38 1jba h MET 42 Ca -0.48 -0.15 -0.07 0.00 -0.00 0.00 0.00 59.70 59.00 1jba h MET 42 Cb 1.19 -0.21 -0.02 0.00 -0.00 0.00 0.00 31.60 32.57 1jba h MET 42 CO 0.65 0.86 -0.10 0.45 -0.00 0.00 0.00 176.91 178.77 1jba h HIS 43 N 1.12 0.58 0.00 -0.10 3.86 -1.96 -2.27 115.15 116.39 1jba h HIS 43 Ca 0.28 -0.09 -0.08 0.00 -1.16 0.00 0.00 60.37 59.33 1jba h HIS 43 Cb 0.08 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1jba h HIS 43 CO 0.01 0.63 -0.37 0.93 0.86 0.00 0.00 177.93 179.99 1jba h GLU 44 N 0.50 0.00 -0.07 2.45 4.39 -1.82 -2.27 114.58 117.76 1jba h GLU 44 Ca 0.09 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.58 1jba h GLU 44 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1jba h GLU 44 CO 0.03 0.37 -0.82 0.35 -1.16 0.00 0.00 179.01 177.77 1jba h PHE 45 N 0.00 0.73 0.21 4.33 3.57 -0.81 -2.72 116.94 122.25 1jba h PHE 45 Ca -0.00 -0.35 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 1jba h PHE 45 Cb 0.82 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1jba h PHE 45 CO 0.00 1.15 -0.10 0.87 -2.23 0.00 0.00 178.31 178.00 1jba h LYS 46 N 0.34 -0.27 -0.92 1.11 1.57 -1.27 -2.54 116.57 114.59 1jba h LYS 46 Ca -0.06 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.92 1jba h LYS 46 Cb 1.44 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.70 1jba h LYS 46 CO 0.15 0.10 0.49 -0.09 -0.57 0.00 0.00 179.45 179.53 1jba h ARG 47 N -0.71 0.60 0.14 3.15 2.43 -1.49 0.31 114.38 118.80 1jba h ARG 47 Ca -0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1jba h ARG 47 Cb 0.49 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1jba h ARG 47 CO 0.05 0.39 -0.07 0.35 -1.51 0.00 0.00 179.97 179.19 1jba h PHE 48 N 0.61 -0.17 0.00 2.20 3.57 -1.42 0.83 116.94 122.57 1jba h PHE 48 Ca 0.53 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.03 1jba h PHE 48 Cb 0.86 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1jba h PHE 48 CO -0.07 -0.11 0.00 1.19 -2.23 0.00 0.00 178.31 177.10 1jba n PHE 49 N -2.52 0.00 0.00 0.41 3.01 -0.96 -3.62 117.46 113.78 1jba n PHE 49 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1jba n PHE 49 Cb 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1jba n PHE 49 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1jba n LYS 50 N -1.06 0.00 -1.28 -1.08 4.81 0.11 -5.07 118.16 114.59 1jba n LYS 50 Ca 0.04 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1jba n LYS 50 Cb 0.02 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 34.88 1jba n LYS 50 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1jba n VAL 51 N -1.76 -3.39 -1.57 3.15 0.31 0.25 -4.65 118.33 110.66 1jba n VAL 51 Ca 0.00 1.55 -0.44 0.00 -0.01 0.00 0.00 64.34 65.44 1jba n VAL 51 Cb 0.00 -2.31 -0.04 0.00 -0.91 0.00 0.00 33.84 30.58 1jba n VAL 51 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1jba n PRO 52 N -1.68 1.77 0.00 5.55 -0.04 -1.26 -4.22 135.00 135.12 1jba n PRO 52 Ca 0.00 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1jba n PRO 52 Cb 0.20 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 1jba n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jba n ASP 53 N 11.69 0.00 -3.15 3.54 2.03 -1.26 -5.11 116.55 124.28 1jba n ASP 53 Ca 0.32 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.69 1jba n ASP 53 Cb 0.42 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.80 1jba n ASP 53 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1jba s ASN 54 N -0.33 -0.05 0.16 1.67 0.01 -1.26 -5.13 114.94 110.01 1jba s ASN 54 Ca 0.00 0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 1jba s ASN 54 Cb 0.00 1.05 0.00 0.00 0.41 0.00 0.00 41.25 42.71 1jba s ASN 54 CO 0.00 -0.01 0.00 -0.62 -1.51 0.00 0.00 177.10 174.96 1jba n GLU 55 N 5.45 0.60 0.00 -0.60 -0.58 -1.26 -3.72 120.64 120.53 1jba n GLU 55 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1jba n GLU 55 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 1jba n GLU 55 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1jba n GLU 56 N -0.28 0.00 -0.06 3.49 1.02 -1.26 -4.58 120.64 118.97 1jba n GLU 56 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jba n GLU 56 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 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 0.00 2.04 0.09 0.62 0.00 -1.24 -2.13 120.51 119.89 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 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.01 0.00 5.66 -1.26 -4.45 114.28 115.36 1jba n THR 58 Ca 0.00 -0.25 -0.18 0.00 -3.05 0.00 0.00 64.05 60.58 1jba n THR 58 Cb 0.18 0.40 -0.08 0.00 -1.55 0.00 0.00 70.33 69.28 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 0.72 0.37 1.09 1.08 -1.83 -2.65 115.11 113.89 1jba h GLN 59 Ca 0.00 -0.64 -0.02 0.00 -1.45 0.00 0.00 58.65 56.54 1jba h GLN 59 Cb 0.44 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1jba h GLN 59 CO 0.00 1.24 -0.18 -0.92 -0.95 0.00 0.00 178.83 178.02 1jba h TYR 60 N 0.42 -0.47 -0.68 2.96 5.03 -1.79 -2.36 116.97 120.08 1jba h TYR 60 Ca -0.07 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.31 1jba h TYR 60 Cb 1.44 0.15 -0.07 0.00 1.55 0.00 0.00 36.73 39.80 1jba h TYR 60 CO 0.10 -0.28 0.34 0.28 -1.32 0.00 0.00 178.16 177.28 1jba h VAL 61 N -0.52 0.87 -0.67 1.81 2.07 -1.78 -0.95 116.25 117.08 1jba h VAL 61 Ca -0.05 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.40 1jba h VAL 61 Cb 0.40 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.30 1jba h VAL 61 CO 0.08 0.11 0.16 -0.08 0.02 0.00 0.00 177.57 177.86 1jba h GLU 62 N 0.59 0.27 -0.59 1.57 4.22 -1.16 0.47 114.58 119.97 1jba h GLU 62 Ca 0.33 -0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.84 1jba h GLU 62 Cb 0.32 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 1jba h GLU 62 CO -0.25 0.18 0.20 0.00 -2.18 0.00 0.00 179.01 176.96 1jba h ALA 63 N 1.54 0.74 -0.25 2.92 0.00 -0.65 -1.58 119.26 121.97 1jba h ALA 63 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1jba h ALA 63 Cb 0.57 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jba h ALA 63 CO -0.45 -0.22 0.00 -0.12 0.00 0.00 0.00 179.25 178.46 1jba n MET 64 N -5.03 0.00 0.29 0.00 0.00 0.12 -0.86 117.12 111.64 1jba n MET 64 Ca 0.08 0.61 0.06 0.00 -0.00 0.00 0.00 57.70 58.45 1jba n MET 64 Cb 0.27 -1.46 0.33 0.00 0.00 0.00 0.00 33.22 32.36 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 0.02 1.12 3.04 -1.31 0.31 116.94 120.12 1jba h PHE 65 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1jba h PHE 65 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1jba h PHE 65 CO -0.12 0.00 -0.01 -0.09 -2.02 0.00 0.00 178.31 176.07 1jba h ARG 66 N 0.00 -0.03 0.00 1.11 1.12 0.03 -3.02 114.38 113.60 1jba h ARG 66 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1jba h ARG 66 Cb 1.28 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.25 1jba h ARG 66 CO 0.00 -0.02 0.00 0.00 -3.11 0.00 0.00 179.97 176.84 1jba n ALA 67 N -2.14 1.87 0.03 2.80 0.00 -0.51 -2.86 120.51 119.70 1jba n ALA 67 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.34 1jba n ALA 67 Cb 0.01 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.04 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 0.00 0.00 -1.46 0.00 3.57 -0.55 -3.42 116.94 115.08 1jba h PHE 68 Ca 0.00 0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.92 1jba h PHE 68 Cb 0.35 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 1jba h PHE 68 CO 0.00 0.81 1.37 0.34 -2.23 0.00 0.00 178.31 178.60 1jba s ASP 69 N -6.16 6.38 -0.10 0.41 2.15 -1.14 -4.80 116.67 113.42 1jba s ASP 69 Ca -0.02 -1.15 -0.05 0.00 0.43 0.00 0.00 52.55 51.76 1jba s ASP 69 Cb 0.09 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1jba s ASP 69 CO 0.81 -1.62 -0.09 0.71 -0.17 0.00 0.00 175.17 174.81 1jba h THR 70 N 6.59 0.00 -1.37 1.71 1.35 -1.86 -3.35 112.91 115.99 1jba h THR 70 Ca 0.06 -0.78 0.40 0.00 -0.55 0.00 0.00 66.41 65.54 1jba h THR 70 Cb 1.02 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.37 1jba h THR 70 CO 1.38 0.00 0.96 -0.55 -0.25 0.00 0.00 175.52 177.06 1jba h ASN 71 N -0.78 0.09 -4.00 5.36 7.08 -2.00 -3.45 115.58 117.88 1jba h ASN 71 Ca 0.00 0.03 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 1jba h ASN 71 Cb 0.26 0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.52 1jba h ASN 71 CO 0.00 -0.01 -0.24 0.61 -2.08 0.00 0.00 177.43 175.71 1jba n GLY 72 N -1.73 -1.14 0.00 9.14 0.00 -1.26 -5.00 105.19 105.20 1jba n GLY 72 Ca 0.31 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -0.36 0.44 -0.32 1.61 5.75 -1.26 -4.99 116.55 117.42 1jba n ASP 73 Ca 0.05 -1.07 -0.04 0.00 -0.01 0.00 0.00 54.79 53.72 1jba n ASP 73 Cb 0.19 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.26 1jba n ASP 73 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1jba n ASN 74 N -0.03 -5.45 -3.75 -1.12 3.02 -1.26 -4.93 115.26 101.75 1jba n ASN 74 Ca 0.00 0.10 -0.13 0.00 -0.03 0.00 0.00 54.58 54.52 1jba n ASN 74 Cb 0.20 -3.31 -0.10 0.00 -0.61 0.00 0.00 39.78 35.96 1jba n ASN 74 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1jba s THR 75 N -1.50 0.02 -0.26 3.41 -1.32 -1.26 -4.37 115.64 110.35 1jba s THR 75 Ca 0.00 -0.13 -0.09 0.00 -1.21 0.00 0.00 61.69 60.26 1jba s THR 75 Cb 0.00 -0.56 -0.04 0.00 -1.51 0.00 0.00 72.50 70.40 1jba s THR 75 CO 0.00 -0.07 0.12 -0.63 -2.21 0.00 0.00 174.62 171.82 1jba s ILE 76 N -0.27 4.75 0.54 5.08 1.09 0.15 -4.89 121.20 127.66 1jba s ILE 76 Ca -0.04 -0.02 -0.07 0.00 -1.10 0.00 0.00 60.65 59.42 1jba s ILE 76 Cb -0.03 -3.23 -0.03 0.00 -1.06 0.00 0.00 42.46 38.10 1jba s ILE 76 CO 0.02 0.31 0.88 1.51 -0.10 0.00 0.00 174.94 177.56 1jba s ASP 77 N 1.56 6.13 0.40 3.58 -4.77 -1.26 -0.25 116.67 122.06 1jba s ASP 77 Ca 0.06 1.04 0.25 0.00 -3.30 0.00 0.00 52.55 50.60 1jba s ASP 77 Cb -0.15 -2.22 1.38 0.00 -1.09 0.00 0.00 42.92 40.83 1jba s ASP 77 CO 0.06 -0.75 1.60 0.15 0.70 0.00 0.00 175.17 176.93 1jba h PHE 78 N -0.01 0.70 0.20 2.11 3.57 -1.94 0.28 116.94 121.84 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 1.21 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1jba h PHE 78 CO 0.59 -0.34 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.16 1jba h LEU 79 N 0.05 -0.23 -0.99 0.59 -0.00 -1.96 -2.15 115.31 110.62 1jba h LEU 79 Ca 0.84 -0.17 0.27 0.00 -0.00 0.00 0.00 57.88 58.82 1jba h LEU 79 Cb 2.41 0.06 -0.13 0.00 -0.00 0.00 0.00 40.66 42.99 1jba h LEU 79 CO -0.61 0.30 0.56 -0.33 -0.00 0.00 0.00 178.44 178.36 1jba h GLU 80 N -1.01 0.44 0.59 1.13 5.08 -1.28 1.49 114.58 121.02 1jba h GLU 80 Ca -0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1jba h GLU 80 Cb 0.39 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1jba h GLU 80 CO 0.05 0.29 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.14 1jba h TYR 81 N 0.45 -0.74 0.00 4.33 3.20 -0.59 -2.65 116.97 120.98 1jba h TYR 81 Ca 0.67 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.52 1jba h TYR 81 Cb 1.38 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.90 1jba h TYR 81 CO -0.03 -0.46 -0.00 0.28 -1.64 0.00 0.00 178.16 176.31 1jba h VAL 82 N -0.90 0.64 -0.17 1.81 2.07 -0.57 -1.76 116.25 117.37 1jba h VAL 82 Ca -0.08 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1jba h VAL 82 Cb 0.61 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1jba h VAL 82 CO 0.13 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.75 1jba h ALA 83 N 2.00 0.16 -0.82 1.67 0.00 0.23 0.12 119.26 122.62 1jba h ALA 83 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1jba h ALA 83 Cb 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1jba h ALA 83 CO 0.00 -0.41 0.54 0.00 0.00 0.00 0.00 179.25 179.37 1jba h ALA 84 N 1.13 1.53 0.61 0.00 0.00 -0.97 -2.20 119.26 119.35 1jba h ALA 84 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jba h ALA 84 Cb 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1jba h ALA 84 CO -0.11 0.37 -0.29 -0.07 0.00 0.00 0.00 179.25 179.15 1jba h LEU 85 N 0.98 -0.69 -1.77 0.00 3.38 -1.02 -2.28 115.31 113.91 1jba h LEU 85 Ca 0.33 0.02 0.47 0.00 0.09 0.00 0.00 57.88 58.79 1jba h LEU 85 Cb 0.09 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1jba h LEU 85 CO -0.10 -0.46 1.28 -1.13 0.09 0.00 0.00 178.44 178.12 1jba h ASN 86 N -0.89 0.00 0.21 -0.43 -1.24 -0.57 2.01 115.58 114.67 1jba h ASN 86 Ca -0.08 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.92 1jba h ASN 86 Cb 0.63 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.68 1jba h ASN 86 CO 0.14 0.00 -0.10 0.25 -1.29 0.00 0.00 177.43 176.43 1jba h LEU 87 N 0.00 -0.23 -0.44 0.34 7.12 -0.84 -2.65 115.31 118.60 1jba h LEU 87 Ca 0.77 0.01 -0.17 0.00 0.13 0.00 0.00 57.88 58.61 1jba h LEU 87 Cb 3.32 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 43.51 1jba h LEU 87 CO -0.01 -0.05 -0.62 0.58 -0.13 0.00 0.00 178.44 178.21 1jba h VAL 88 N -0.50 1.33 -2.45 1.05 2.07 -0.62 -3.40 116.25 113.74 1jba h VAL 88 Ca -0.03 -1.90 -0.46 0.00 0.82 0.00 0.00 66.70 65.13 1jba h VAL 88 Cb 0.21 1.88 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1jba h VAL 88 CO 0.05 0.59 -0.27 -0.76 0.02 0.00 0.00 177.57 177.20 1jba s LEU 89 N -8.26 4.02 0.00 2.57 1.02 0.66 -4.72 118.68 113.97 1jba s LEU 89 Ca -0.07 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.28 1jba s LEU 89 Cb 0.11 -3.06 0.00 0.00 0.02 0.00 0.00 46.19 43.25 1jba s LEU 89 CO 0.85 -0.33 0.00 -1.14 0.02 0.00 0.00 176.35 175.75 1jba n ARG 90 N -1.71 0.00 -1.05 1.70 0.00 -1.26 -4.18 116.66 110.16 1jba n ARG 90 Ca -0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.47 1jba n ARG 90 Cb 0.57 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.15 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 0.00 -0.67 0.42 5.14 0.00 -1.00 -4.93 105.19 104.16 1jba n GLY 91 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1jba n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jba n THR 92 N -3.25 0.00 -0.15 2.61 -1.04 -1.26 -4.71 114.28 106.49 1jba n THR 92 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1jba n THR 92 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1jba n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jba n LEU 93 N 0.00 0.00 0.00 -4.42 4.32 -1.26 -4.87 117.00 110.77 1jba n LEU 93 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1jba n LEU 93 Cb 0.48 0.00 0.51 0.00 -1.62 0.00 0.00 43.42 42.79 1jba n LEU 93 CO 0.00 -0.48 0.87 -1.84 -1.22 0.00 0.00 177.39 174.72 1jba n GLU 94 N -0.46 0.02 0.28 3.23 0.00 -1.26 -3.58 120.64 118.88 1jba n GLU 94 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 57.16 57.32 1jba n GLU 94 Cb 0.00 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.21 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 0.16 -1.84 2.76 -1.99 0.22 115.15 114.46 1jba h HIS 95 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1jba h HIS 95 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1jba h HIS 95 CO 0.00 0.00 -0.08 0.87 -1.30 0.00 0.00 177.93 177.42 1jba h LYS 96 N 0.00 -0.21 -1.25 5.26 1.79 -1.92 -2.30 116.57 117.94 1jba h LYS 96 Ca 0.04 0.01 0.37 0.00 -2.18 0.00 0.00 60.65 58.90 1jba h LYS 96 Cb 1.70 0.05 -0.10 0.00 -1.58 0.00 0.00 32.23 32.30 1jba h LYS 96 CO -0.00 -0.13 0.83 -0.07 -1.08 0.00 0.00 179.45 178.99 1jba h LEU 97 N -0.23 0.26 0.00 2.94 3.38 -0.87 0.87 115.31 121.67 1jba h LEU 97 Ca -0.02 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jba h LEU 97 Cb 0.17 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jba h LEU 97 CO 0.04 -0.05 0.00 0.29 0.09 0.00 0.00 178.44 178.81 1jba n LYS 98 N -4.55 0.00 -0.41 1.13 5.02 -0.91 -2.07 118.16 116.37 1jba n LYS 98 Ca 0.32 0.49 0.34 0.00 -2.02 0.00 0.00 58.31 57.44 1jba n LYS 98 Cb 1.25 -1.03 0.61 0.00 -0.02 0.00 0.00 35.03 35.85 1jba n LYS 98 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 1jba h TRP 99 N 0.00 0.64 -0.22 2.13 -0.00 -1.15 1.17 115.95 118.51 1jba h TRP 99 Ca 0.00 0.03 -0.21 0.00 -0.00 0.00 0.00 58.89 58.71 1jba h TRP 99 Cb 0.00 -0.16 0.01 0.00 -0.00 0.00 0.00 29.16 29.01 1jba h TRP 99 CO 0.02 -0.25 -0.67 0.00 -0.00 0.00 0.00 178.44 177.53 1jba h THR 100 N 0.10 1.27 0.00 2.65 1.03 -0.95 -2.66 112.91 114.35 1jba h THR 100 Ca 0.81 -1.85 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 1jba h THR 100 Cb 2.39 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 71.28 1jba h THR 100 CO -0.51 0.60 0.00 0.15 -0.01 0.00 0.00 175.52 175.75 1jba h PHE 101 N 0.61 0.00 0.00 0.00 3.04 0.19 -2.63 116.94 118.15 1jba h PHE 101 Ca -0.02 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.84 1jba h PHE 101 Cb 1.29 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.79 1jba h PHE 101 CO 0.08 0.00 -0.47 -0.22 -2.02 0.00 0.00 178.31 175.68 1jba h LYS 102 N 0.00 0.00 -0.75 1.11 3.64 -0.91 -3.18 116.57 116.48 1jba h LYS 102 Ca 0.00 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1jba h LYS 102 Cb 0.15 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1jba h LYS 102 CO 0.00 0.99 0.50 0.82 -2.27 0.00 0.00 179.45 179.49 1jba h ILE 103 N -1.00 0.85 0.74 2.00 1.08 -1.23 -2.54 117.51 117.41 1jba h ILE 103 Ca -0.13 -0.18 -0.04 0.00 -0.39 0.00 0.00 64.86 64.12 1jba h ILE 103 Cb 1.10 0.28 0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1jba h ILE 103 CO -0.08 0.10 -0.36 1.88 -0.69 0.00 0.00 178.15 179.00 1jba h TYR 104 N 0.52 -0.92 -0.43 1.37 0.05 -1.59 -3.37 116.97 112.61 1jba h TYR 104 Ca 0.36 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 59.03 1jba h TYR 104 Cb 0.69 0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 1jba h TYR 104 CO -0.00 -0.56 0.23 0.34 -1.05 0.00 0.00 178.16 177.12 1jba s ASP 105 N -4.41 4.19 0.00 3.88 -1.08 -0.96 -4.76 116.67 113.53 1jba s ASP 105 Ca -0.16 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1jba s ASP 105 Cb 0.02 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1jba s ASP 105 CO 0.48 -3.65 0.37 0.29 0.52 0.00 0.00 175.17 173.18 1jba n LYS 106 N 8.77 0.00 0.07 4.34 5.02 -1.26 -3.55 118.16 131.55 1jba n LYS 106 Ca 0.45 0.49 0.21 0.00 -2.02 0.00 0.00 58.31 57.44 1jba n LYS 106 Cb 0.44 -1.18 0.71 0.00 -0.02 0.00 0.00 35.03 34.99 1jba n LYS 106 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1jba h ASP 107 N 0.00 0.00 -4.11 4.39 3.04 -1.96 -3.47 116.42 114.32 1jba h ASP 107 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1jba h ASP 107 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.23 1jba h ASP 107 CO 0.00 0.00 -0.85 -1.14 -2.04 0.00 0.00 179.24 175.21 1jba n ARG 108 N -3.59 -2.76 0.00 4.15 0.63 -1.23 -5.02 116.66 108.84 1jba n ARG 108 Ca 0.09 2.26 0.00 0.00 -0.92 0.00 0.00 57.85 59.28 1jba n ARG 108 Cb 0.72 -3.26 0.00 0.00 0.45 0.00 0.00 32.46 30.37 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1jba n ASN 109 N 1.00 0.00 0.00 6.15 6.94 -1.26 -4.99 115.26 123.10 1jba n ASN 109 Ca -0.19 -0.63 0.00 0.00 -0.02 0.00 0.00 54.58 53.74 1jba n ASN 109 Cb 0.29 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1jba n ASN 109 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 110 N 0.00 0.62 3.25 4.83 0.00 -1.26 -5.05 105.19 107.57 1jba n GLY 110 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.88 3.03 0.08 0.00 1.01 -0.82 -4.83 121.20 115.79 1jba s ILE 112 Ca 0.07 -1.52 0.01 0.00 0.00 0.00 0.00 60.65 59.21 1jba s ILE 112 Cb 0.04 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1jba s ILE 112 CO -0.09 0.04 -0.05 -1.81 0.00 0.00 0.00 174.94 173.03 1jba s ASP 113 N -2.37 0.88 0.00 3.58 1.11 -1.26 -2.69 116.67 115.93 1jba s ASP 113 Ca 0.21 -1.00 0.00 0.00 0.18 0.00 0.00 52.55 51.93 1jba s ASP 113 Cb -0.10 0.14 0.00 0.00 1.07 0.00 0.00 42.92 44.03 1jba s ASP 113 CO 0.12 -0.52 0.83 -2.11 1.18 0.00 0.00 175.17 174.67 1jba n ARG 114 N 0.02 0.00 -0.08 8.23 1.85 -1.26 -1.65 116.66 123.78 1jba n ARG 114 Ca -0.13 0.34 -0.19 0.00 -1.00 0.00 0.00 57.85 56.87 1jba n ARG 114 Cb 0.61 -1.62 -0.12 0.00 -1.05 0.00 0.00 32.46 30.27 1jba n ARG 114 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 1jba h GLN 115 N 0.00 0.03 0.00 2.89 4.15 -1.99 -2.54 115.11 117.66 1jba h GLN 115 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1jba h GLN 115 Cb 0.25 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1jba h GLN 115 CO 0.00 1.03 0.02 0.93 -1.93 0.00 0.00 178.83 178.88 1jba h GLU 116 N -0.90 0.00 0.00 1.69 5.08 -1.64 -2.24 114.58 116.56 1jba h GLU 116 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1jba h GLU 116 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1jba h GLU 116 CO -0.10 0.00 -0.44 1.28 -1.00 0.00 0.00 179.01 178.75 1jba n LEU 117 N -2.81 1.36 -0.05 1.33 4.77 -1.16 -2.02 117.00 118.42 1jba n LEU 117 Ca -0.02 0.49 0.22 0.00 -0.03 0.00 0.00 56.01 56.67 1jba n LEU 117 Cb 0.08 -0.76 0.47 0.00 -2.33 0.00 0.00 43.42 40.88 1jba n LEU 117 CO 0.16 -0.46 1.20 0.25 -1.33 0.00 0.00 177.39 177.22 1jba h LEU 118 N -0.74 0.00 0.15 2.23 6.46 -1.38 2.43 115.31 124.45 1jba h LEU 118 Ca 0.00 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 57.45 1jba h LEU 118 Cb 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1jba h LEU 118 CO 0.00 0.00 -1.57 -0.78 -0.62 0.00 0.00 178.44 175.47 1jba h ASP 119 N 0.00 0.49 -0.01 1.25 3.58 -1.54 -2.75 116.42 117.44 1jba h ASP 119 Ca 0.34 -0.90 -0.01 0.00 0.42 0.00 0.00 57.03 56.88 1jba h ASP 119 Cb 2.28 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 43.17 1jba h ASP 119 CO -0.00 1.70 -0.04 0.40 -2.88 0.00 0.00 179.24 178.42 1jba h ILE 120 N -0.11 1.49 -0.40 2.25 1.08 0.42 -2.85 117.51 119.38 1jba h ILE 120 Ca -0.32 -1.48 0.06 0.00 -0.39 0.00 0.00 64.86 62.72 1jba h ILE 120 Cb 1.92 2.46 -0.05 0.00 -3.07 0.00 0.00 36.82 38.08 1jba h ILE 120 CO 0.11 0.39 0.11 1.62 -0.69 0.00 0.00 178.15 179.70 1jba h VAL 121 N -0.56 0.83 -0.91 1.67 3.04 0.83 0.83 116.25 121.98 1jba h VAL 121 Ca -0.00 -0.09 0.23 0.00 -1.01 0.00 0.00 66.70 65.83 1jba h VAL 121 Cb 0.66 0.55 -0.13 0.00 -2.01 0.00 0.00 31.29 30.37 1jba h VAL 121 CO 0.01 0.05 0.43 -0.08 -1.01 0.00 0.00 177.57 176.96 1jba h GLU 122 N 0.25 0.41 -0.41 4.17 4.22 -1.49 0.44 114.58 122.18 1jba h GLU 122 Ca 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.59 1jba h GLU 122 Cb 0.21 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1jba h GLU 122 CO -0.23 0.27 0.20 0.77 -2.18 0.00 0.00 179.01 177.85 1jba h SER 123 N 0.42 0.53 -0.41 1.04 0.02 -0.63 -1.29 113.55 113.24 1jba h SER 123 Ca 0.58 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1jba h SER 123 Cb 1.10 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1jba h SER 123 CO -0.52 0.50 0.26 0.40 -1.14 0.00 0.00 176.83 176.32 1jba h ILE 124 N 0.52 1.11 0.00 3.27 5.03 0.72 0.51 117.51 128.67 1jba h ILE 124 Ca 0.14 -0.24 -0.05 0.00 -0.12 0.00 0.00 64.86 64.60 1jba h ILE 124 Cb 0.10 0.52 -0.01 0.00 -3.03 0.00 0.00 36.82 34.41 1jba h ILE 124 CO -0.02 0.11 -0.23 1.88 -0.68 0.00 0.00 178.15 179.21 1jba h TYR 125 N 0.56 0.00 0.31 1.37 -1.99 -0.12 -2.54 116.97 114.56 1jba h TYR 125 Ca 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.87 1jba h TYR 125 Cb -0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.69 1jba h TYR 125 CO 0.00 0.23 -0.15 -0.22 -0.00 0.00 0.00 178.16 178.03 1jba h LYS 126 N 0.00 -0.40 -0.86 4.88 3.64 0.23 -2.74 116.57 121.31 1jba h LYS 126 Ca -0.00 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1jba h LYS 126 Cb 0.80 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.65 1jba h LYS 126 CO 0.03 -0.27 0.56 1.25 -2.27 0.00 0.00 179.45 178.75 1jba h LEU 127 N -0.64 0.70 -0.22 5.20 5.85 -1.57 -1.96 115.31 122.67 1jba h LEU 127 Ca -0.04 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1jba h LEU 127 Cb 0.32 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1jba h LEU 127 CO 0.07 0.39 -0.16 0.50 -0.34 0.00 0.00 178.44 178.91 1jba h LYS 128 N 0.76 -0.15 0.00 1.25 3.64 -1.48 0.60 116.57 121.20 1jba h LYS 128 Ca 0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1jba h LYS 128 Cb 0.55 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1jba h LYS 128 CO -0.18 -0.10 0.00 1.57 -2.27 0.00 0.00 179.45 178.47 1jba h LYS 129 N -0.15 0.00 0.00 1.90 2.10 -1.06 -2.32 116.57 117.04 1jba h LYS 129 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1jba h LYS 129 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1jba h LYS 129 CO -0.31 0.00 -0.31 0.00 -2.00 0.00 0.00 179.45 176.83 1jba n ALA 130 N -1.92 2.97 -0.71 0.07 0.00 0.10 -4.02 120.51 117.00 1jba n ALA 130 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1jba n ALA 130 Cb 0.26 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.03 -0.85 -3.89 0.00 3.41 -1.26 -5.12 113.62 104.88 1jba n SER 132 Ca 0.00 -1.64 -0.09 0.00 -0.26 0.00 0.00 58.87 56.88 1jba n SER 132 Cb 0.00 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1jba n SER 132 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jba s VAL 133 N 0.02 0.09 -0.33 -3.33 0.11 -1.26 -5.08 120.40 110.62 1jba s VAL 133 Ca 0.01 -1.22 0.15 0.00 -2.93 0.00 0.00 61.98 58.00 1jba s VAL 133 Cb 0.07 -1.62 0.44 0.00 -1.53 0.00 0.00 36.38 33.74 1jba s VAL 133 CO -0.02 -0.39 1.24 -1.84 -3.33 0.00 0.00 175.10 170.76 1jba n GLU 134 N -0.18 1.34 0.00 1.54 0.28 -1.26 -4.47 120.64 117.90 1jba n GLU 134 Ca -0.11 -2.41 0.00 0.00 -0.16 0.00 0.00 57.16 54.48 1jba n GLU 134 Cb 0.63 -0.58 0.00 0.00 1.43 0.00 0.00 31.44 32.92 1jba n GLU 134 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1jba n VAL 135 N -0.69 0.00 -0.31 3.84 3.14 -1.26 -4.87 118.33 118.19 1jba n VAL 135 Ca -0.01 0.00 0.13 0.00 -2.96 0.00 0.00 64.34 61.50 1jba n VAL 135 Cb 0.84 1.02 0.30 0.00 -1.06 0.00 0.00 33.84 34.94 1jba n VAL 135 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1jba h GLU 136 N 0.00 0.42 0.00 1.45 4.81 -1.98 -3.42 114.58 115.86 1jba h GLU 136 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1jba h GLU 136 Cb 0.92 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1jba h GLU 136 CO 0.00 0.28 0.00 0.00 -0.73 0.00 0.00 179.01 178.56 1jba n ALA 137 N -2.48 0.28 -0.01 2.92 0.00 -1.26 -4.96 120.51 115.00 1jba n ALA 137 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1jba n ALA 137 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 0.00 -2.00 0.00 1.02 -1.26 -3.25 120.64 115.14 1jba n GLU 138 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1jba n GLU 138 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 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 0.00 2.60 0.00 3.49 -0.06 -1.26 -4.86 117.38 117.28 1jba n GLN 139 Ca 0.00 -2.72 0.00 0.00 -2.00 0.00 0.00 57.00 52.28 1jba n GLN 139 Cb 0.00 -3.38 0.00 0.00 -4.06 0.00 0.00 30.24 22.80 1jba n GLN 139 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jba n GLN 140 N 7.39 3.50 0.00 3.69 10.64 -1.20 -4.81 117.38 136.59 1jba n GLN 140 Ca 0.50 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.67 1jba n GLN 140 Cb 0.43 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.81 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jba n GLY 141 N 5.00 2.89 0.06 2.61 0.00 -1.26 -4.73 105.19 109.76 1jba n GLY 141 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 1.95 0.00 1.61 4.81 -1.26 -5.01 118.16 120.25 1jba n LYS 142 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1jba n LYS 142 Cb 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.47 0.00 -4.97 3.14 4.77 -1.26 -5.08 117.00 111.12 1jba n LEU 143 Ca -0.20 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.60 1jba n LEU 143 Cb 0.89 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1jba n LEU 143 CO 0.25 0.00 0.10 -1.48 -1.33 0.00 0.00 177.39 174.93 1jba s LEU 144 N 0.00 3.62 0.11 2.23 0.05 -1.26 -5.11 118.68 118.31 1jba s LEU 144 Ca 0.00 -0.48 0.04 0.00 0.05 0.00 0.00 54.13 53.74 1jba s LEU 144 Cb 0.00 -2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 41.59 1jba s LEU 144 CO 0.00 -0.70 0.08 0.42 -0.55 0.00 0.00 176.35 175.60 1jba s THR 145 N -2.37 4.40 -0.19 5.48 -4.23 -1.26 -4.95 115.64 112.52 1jba s THR 145 Ca 0.52 -0.93 0.08 0.00 -1.18 0.00 0.00 61.69 60.18 1jba s THR 145 Cb -0.08 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.67 1jba s THR 145 CO 0.31 0.04 1.08 -2.65 -0.54 0.00 0.00 174.62 172.86 1jba n PRO 146 N 0.20 0.05 -0.02 3.99 -0.02 -1.26 0.10 135.00 138.04 1jba n PRO 146 Ca -0.09 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.74 1jba n PRO 146 Cb 0.53 -1.96 -0.14 0.00 -0.02 0.00 0.00 33.50 31.91 1jba n PRO 146 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jba n GLU 147 N -1.74 0.65 0.42 -0.52 1.02 -1.26 -4.10 120.64 115.11 1jba n GLU 147 Ca -0.01 0.28 -0.19 0.00 -0.02 0.00 0.00 57.16 57.22 1jba n GLU 147 Cb 0.30 -1.77 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 1jba n GLU 147 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1jba h GLU 148 N 0.01 -1.12 -0.78 3.49 4.22 0.31 -1.48 114.58 119.23 1jba h GLU 148 Ca -0.32 0.08 0.17 0.00 0.08 0.00 0.00 59.36 59.37 1jba h GLU 148 Cb 2.03 0.25 -0.14 0.00 0.50 0.00 0.00 28.75 31.39 1jba h GLU 148 CO 0.08 -0.74 -0.11 -0.39 -2.18 0.00 0.00 179.01 175.66 1jba h VAL 149 N -1.16 0.25 -0.27 0.32 -1.51 -1.75 0.22 116.25 112.36 1jba h VAL 149 Ca -0.10 -0.01 0.04 0.00 -1.23 0.00 0.00 66.70 65.40 1jba h VAL 149 Cb 0.93 0.21 -0.04 0.00 -2.13 0.00 0.00 31.29 30.26 1jba h VAL 149 CO 0.10 0.01 0.03 0.58 -1.23 0.00 0.00 177.57 177.06 1jba h VAL 150 N 0.04 0.84 0.00 7.19 2.07 -1.64 0.18 116.25 124.93 1jba h VAL 150 Ca 0.40 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.88 1jba h VAL 150 Cb 0.67 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1jba h VAL 150 CO -0.76 0.02 0.00 -0.78 0.02 0.00 0.00 177.57 176.07 1jba h ASP 151 N 0.12 0.00 0.00 0.57 3.58 0.33 -2.65 116.42 118.37 1jba h ASP 151 Ca 0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1jba h ASP 151 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1jba h ASP 151 CO -0.19 0.00 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.08 1jba h ARG 152 N 0.00 0.00 -0.90 0.28 2.43 0.12 -2.74 114.38 113.57 1jba h ARG 152 Ca 0.00 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.41 1jba h ARG 152 Cb 0.31 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.70 1jba h ARG 152 CO 0.00 0.00 0.10 0.82 -1.51 0.00 0.00 179.97 179.38 1jba h ILE 153 N -0.21 0.19 0.20 1.20 2.04 -1.26 2.39 117.51 122.06 1jba h ILE 153 Ca 0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1jba h ILE 153 Cb 0.01 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1jba h ILE 153 CO 0.00 0.02 -0.10 0.15 0.00 0.00 0.00 178.15 178.22 1jba h PHE 154 N 0.09 -0.25 -0.70 1.37 3.57 -1.61 -2.67 116.94 116.74 1jba h PHE 154 Ca 0.55 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 62.00 1jba h PHE 154 Cb 1.10 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1jba h PHE 154 CO -0.39 -0.15 0.29 -0.07 -2.23 0.00 0.00 178.31 175.75 1jba h LEU 155 N -0.27 0.96 -0.97 0.59 3.38 -1.07 0.71 115.31 118.64 1jba h LEU 155 Ca -0.03 -0.17 0.30 0.00 0.09 0.00 0.00 57.88 58.08 1jba h LEU 155 Cb 0.21 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 40.56 1jba h LEU 155 CO 0.04 0.87 0.45 0.25 0.09 0.00 0.00 178.44 180.14 1jba h LEU 156 N 1.00 0.31 0.00 1.67 5.85 0.40 -3.02 115.31 121.52 1jba h LEU 156 Ca 0.24 0.20 -0.13 0.00 0.84 0.00 0.00 57.88 59.02 1jba h LEU 156 Cb 0.20 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1jba h LEU 156 CO -0.02 -0.17 -1.29 0.52 -0.34 0.00 0.00 178.44 177.14 1jba n VAL 157 N -5.13 1.49 -0.76 1.05 0.31 -0.97 -4.98 118.33 109.35 1jba n VAL 157 Ca 0.29 0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 64.31 1jba n VAL 157 Cb 0.90 -2.22 0.14 0.00 -0.91 0.00 0.00 33.84 31.75 1jba n VAL 157 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1jba n ASP 158 N -4.44 -2.01 0.00 4.52 2.03 0.24 -4.87 116.55 112.03 1jba n ASP 158 Ca -0.24 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1jba n ASP 158 Cb 0.57 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 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 -2.00 0.00 0.21 -0.67 2.13 -1.26 -4.70 120.64 114.36 1jba n GLU 159 Ca 0.06 0.00 0.17 0.00 0.66 0.00 0.00 57.16 58.04 1jba n GLU 159 Cb 0.55 0.00 0.83 0.00 0.27 0.00 0.00 31.44 33.09 1jba n GLU 159 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 1jba h ASN 160 N 0.00 0.00 -2.39 4.31 7.08 -1.98 -3.46 115.58 119.14 1jba h ASN 160 Ca 0.00 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.16 1jba h ASN 160 Cb 0.00 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.27 1jba h ASN 160 CO 0.00 0.00 -0.12 0.61 -2.08 0.00 0.00 177.43 175.84 1jba n GLY 161 N -1.41 0.41 0.08 9.14 0.00 -1.26 -4.97 105.19 107.19 1jba n GLY 161 Ca 0.01 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.83 0.55 0.00 1.61 5.68 -1.26 -4.96 116.55 117.34 1jba n ASP 162 Ca -0.03 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1jba n ASP 162 Cb 0.52 0.89 0.00 0.00 -1.14 0.00 0.00 41.12 41.39 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 1.28 0.66 3.17 6.12 0.00 -1.26 -5.03 105.19 110.13 1jba n GLY 163 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1jba n GLY 163 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jba s GLN 164 N -0.71 0.31 -0.22 1.61 -2.07 -1.26 -4.96 119.66 112.36 1jba s GLN 164 Ca 0.00 0.64 -0.18 0.00 -1.82 0.00 0.00 55.36 53.99 1jba s GLN 164 Cb 0.00 -0.04 -0.03 0.00 -1.09 0.00 0.00 33.01 31.85 1jba s GLN 164 CO 0.00 -0.15 0.52 -1.17 -1.32 0.00 0.00 175.29 173.18 1jba s LEU 165 N 1.20 4.11 0.47 2.60 2.96 -1.09 -4.90 118.68 124.02 1jba s LEU 165 Ca -0.08 0.63 0.08 0.00 -0.22 0.00 0.00 54.13 54.54 1jba s LEU 165 Cb -0.09 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 43.93 1jba s LEU 165 CO -0.09 -0.23 0.56 -0.44 -1.32 0.00 0.00 176.35 174.83 1jba s SER 166 N 1.29 5.28 0.11 3.68 0.01 -1.26 -1.95 113.70 120.86 1jba s SER 166 Ca 0.23 -0.68 -0.16 0.00 1.31 0.00 0.00 55.95 56.65 1jba s SER 166 Cb -0.15 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 1jba s SER 166 CO 0.09 -0.91 1.52 0.25 0.41 0.00 0.00 173.24 174.61 1jba h LEU 167 N 0.63 0.61 -0.50 2.44 5.85 -1.97 0.01 115.31 122.37 1jba h LEU 167 Ca -0.38 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.11 1jba h LEU 167 Cb 1.28 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 1jba h LEU 167 CO 0.48 0.80 -0.23 0.78 -0.34 0.00 0.00 178.44 179.93 1jba h ASN 168 N 0.40 -0.81 0.96 1.25 4.21 -1.99 0.81 115.58 120.41 1jba h ASN 168 Ca 0.09 0.19 -0.11 0.00 1.21 0.00 0.00 56.30 57.67 1jba h ASN 168 Cb 0.52 0.44 -0.02 0.00 -1.12 0.00 0.00 38.32 38.14 1jba h ASN 168 CO 0.03 -0.26 -0.55 1.05 -1.29 0.00 0.00 177.43 176.41 1jba h GLU 169 N -0.12 0.00 0.45 0.81 4.11 -1.95 -2.62 114.58 115.26 1jba h GLU 169 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 1jba h GLU 169 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1jba h GLU 169 CO -0.58 0.55 -0.37 0.35 0.07 0.00 0.00 179.01 179.03 1jba h PHE 170 N 0.00 -0.98 -0.31 2.06 3.04 0.12 -2.32 116.94 118.54 1jba h PHE 170 Ca -0.01 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 1jba h PHE 170 Cb 1.17 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 40.05 1jba h PHE 170 CO 0.00 -0.53 -0.37 -0.39 -2.02 0.00 0.00 178.31 175.00 1jba h VAL 171 N -0.81 1.29 -0.91 1.41 -1.51 -1.39 0.19 116.25 114.51 1jba h VAL 171 Ca -0.04 -1.53 0.23 0.00 -1.23 0.00 0.00 66.70 64.12 1jba h VAL 171 Cb 0.70 1.44 -0.06 0.00 -2.13 0.00 0.00 31.29 31.25 1jba h VAL 171 CO -0.01 0.50 0.62 -0.08 -1.23 0.00 0.00 177.57 177.37 1jba h GLU 172 N 0.60 0.24 0.00 5.19 4.81 -1.24 0.39 114.58 124.56 1jba h GLU 172 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1jba h GLU 172 Cb 0.90 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1jba h GLU 172 CO 0.08 0.16 -1.03 0.41 -0.73 0.00 0.00 179.01 177.90 1jba n GLY 173 N -1.59 -0.31 0.29 1.92 0.00 -0.89 -4.45 105.19 100.15 1jba n GLY 173 Ca 0.19 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.58 3.68 -0.02 4.61 0.00 0.64 -4.05 120.51 123.78 1jba n ALA 174 Ca 0.00 -0.55 -0.22 0.00 0.00 0.00 0.00 53.44 52.68 1jba n ALA 174 Cb 0.24 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 1jba n ALA 174 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jba n ARG 175 N -0.60 0.71 0.00 0.00 0.63 0.13 -4.68 116.66 112.85 1jba n ARG 175 Ca 0.09 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 1jba n ARG 175 Cb 0.40 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.59 1jba n ARG 175 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1jba n ARG 176 N -3.75 0.00 -1.45 -0.14 1.74 -1.26 -4.80 116.66 107.00 1jba n ARG 176 Ca -0.32 0.04 -0.46 0.00 -0.77 0.00 0.00 57.85 56.34 1jba n ARG 176 Cb 0.95 -0.78 -0.02 0.00 -1.02 0.00 0.00 32.46 31.59 1jba n ARG 176 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1jba n ASP 177 N -0.63 -0.61 -0.97 0.55 9.92 -1.26 -4.86 116.55 118.69 1jba n ASP 177 Ca 0.00 1.10 0.11 0.00 -0.53 0.00 0.00 54.79 55.47 1jba n ASP 177 Cb 0.00 -1.06 0.14 0.00 -0.64 0.00 0.00 41.12 39.56 1jba n ASP 177 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1jba n LYS 178 N 0.90 2.21 0.07 -1.24 5.02 -1.26 -4.37 118.16 119.49 1jba n LYS 178 Ca 0.15 -1.98 -0.22 0.00 -2.02 0.00 0.00 58.31 54.23 1jba n LYS 178 Cb 0.29 -1.45 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 1jba n LYS 178 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 1jba h TRP 179 N 4.26 0.67 -0.97 2.13 7.01 -1.96 -3.32 115.95 123.78 1jba h TRP 179 Ca 0.00 -0.49 0.28 0.00 2.11 0.00 0.00 58.89 60.79 1jba h TRP 179 Cb 0.93 -0.03 -0.14 0.00 -2.10 0.00 0.00 29.16 27.82 1jba h TRP 179 CO 0.10 1.49 0.49 -0.39 -2.79 0.00 0.00 178.44 177.34 1jba h VAL 180 N -0.15 0.37 0.00 2.65 -1.51 -1.91 0.04 116.25 115.74 1jba h VAL 180 Ca -0.24 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1jba h VAL 180 Cb 1.88 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1jba h VAL 180 CO 0.17 0.07 0.00 0.23 -1.23 0.00 0.00 177.57 176.81 1jba n MET 181 N -5.05 0.00 0.27 5.19 2.81 -1.25 -0.57 117.12 118.53 1jba n MET 181 Ca 0.28 0.88 0.14 0.00 -1.81 0.00 0.00 57.70 57.19 1jba n MET 181 Cb 0.84 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 32.60 1jba n MET 181 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1jba h LYS 182 N 0.00 0.00 0.19 0.03 1.57 -1.61 -2.34 116.57 114.42 1jba h LYS 182 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1jba h LYS 182 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jba h LYS 182 CO 0.00 0.10 -0.09 1.98 -0.57 0.00 0.00 179.45 180.86 1jba h MET 183 N 0.00 -0.25 0.19 3.15 4.05 0.81 -1.50 114.93 121.37 1jba h MET 183 Ca -0.00 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1jba h MET 183 Cb 0.37 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1jba h MET 183 CO 0.01 -0.17 -0.12 -0.07 0.23 0.00 0.00 176.91 176.79 1jba h LEU 184 N -0.32 -0.31 0.00 3.39 3.38 -0.87 -3.29 115.31 117.30 1jba h LEU 184 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jba h LEU 184 Cb 0.20 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1jba h LEU 184 CO 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.38 1jba n GLN 185 N -5.24 0.00 0.00 1.13 1.13 -0.88 -4.95 117.38 108.57 1jba n GLN 185 Ca -0.08 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1jba n GLN 185 Cb 0.16 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1jba n GLN 185 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1jba n MET 186 N -1.61 0.00 0.00 -1.09 2.81 -0.57 -5.08 117.12 111.58 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1jba n MET 186 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1jba n ASP 187 N 0.00 0.00 -0.10 7.83 -0.08 -1.18 -4.24 116.55 118.78 1jba n ASP 187 Ca 0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 1jba n ASP 187 Cb 0.00 0.26 -0.09 0.00 2.34 0.00 0.00 41.12 43.63 1jba n ASP 187 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1jba n LEU 188 N -2.43 2.49 0.00 -2.67 4.77 -1.26 -4.87 117.00 113.02 1jba n LEU 188 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1jba n LEU 188 Cb 0.00 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1jba n LEU 188 CO 0.00 0.71 0.00 -3.20 -1.33 0.00 0.00 177.39 173.57 1jba n ASN 189 N -3.39 0.00 0.00 -1.43 2.85 -1.26 -5.20 115.26 106.83 1jba n ASN 189 Ca -0.38 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.16 1jba n ASN 189 Cb 0.85 0.00 0.42 0.00 1.24 0.00 0.00 39.78 42.30 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34