#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 0.00 -0.24 1.61 0.00 -1.26 -4.94 117.38 112.55 1jba n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1jba n GLN 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1jba n GLN 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jba n GLN 4 N 0.00 0.00 -0.67 3.69 10.64 -1.26 -4.82 117.38 124.96 1jba n GLN 4 Ca 0.00 -0.43 -0.28 0.00 -1.83 0.00 0.00 57.00 54.46 1jba n GLN 4 Cb 0.00 -0.29 -0.04 0.00 -0.86 0.00 0.00 30.24 29.05 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 0.00 0.99 0.00 2.61 3.01 -1.26 -4.85 117.46 117.97 1jba n PHE 5 Ca 0.00 -1.35 0.00 0.00 1.01 0.00 0.00 57.45 57.11 1jba n PHE 5 Cb 0.56 -1.30 0.00 0.00 -0.01 0.00 0.00 39.48 38.73 1jba n PHE 5 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jba n SER 6 N 6.23 0.00 -1.84 4.37 3.41 -1.26 -4.74 113.62 119.80 1jba n SER 6 Ca 0.37 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.83 1jba n SER 6 Cb 0.24 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.33 1jba n SER 6 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1jba n TRP 7 N -0.18 2.12 -0.36 7.33 2.14 -1.26 -4.52 117.44 122.70 1jba n TRP 7 Ca 0.00 -1.38 0.35 0.00 2.07 0.00 0.00 57.50 58.54 1jba n TRP 7 Cb 0.00 -0.72 0.71 0.00 -0.81 0.00 0.00 31.31 30.50 1jba n TRP 7 CO 0.00 0.00 0.00 1.05 2.07 0.00 0.00 177.69 180.81 1jba h GLU 8 N 0.88 0.07 0.09 -2.67 4.11 -1.92 -1.73 114.58 113.40 1jba h GLU 8 Ca 0.41 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.84 1jba h GLU 8 Cb 2.26 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.49 1jba h GLU 8 CO 0.75 0.04 -0.10 0.93 0.07 0.00 0.00 179.01 180.70 1jba h GLU 9 N 0.07 -0.18 -1.19 1.06 5.08 -1.96 1.22 114.58 118.68 1jba h GLU 9 Ca 0.61 0.01 0.36 0.00 -1.00 0.00 0.00 59.36 59.35 1jba h GLU 9 Cb 2.29 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 31.46 1jba h GLU 9 CO -0.08 -0.12 0.76 0.00 -1.00 0.00 0.00 179.01 178.57 1jba h ALA 10 N -1.58 2.50 -0.11 3.43 0.00 -1.70 1.28 119.26 123.08 1jba h ALA 10 Ca -0.01 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1jba h ALA 10 Cb 0.17 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jba h ALA 10 CO -0.01 -1.04 -0.74 0.93 0.00 0.00 0.00 179.25 178.38 1jba h GLU 11 N 0.21 0.55 -0.14 0.00 4.39 -1.04 -2.82 114.58 115.73 1jba h GLU 11 Ca 0.72 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1jba h GLU 11 Cb 2.10 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.84 1jba h GLU 11 CO -0.38 1.07 0.00 0.39 -1.16 0.00 0.00 179.01 178.93 1jba n GLU 12 N -3.87 1.35 0.12 2.33 1.02 0.41 -3.31 120.64 118.69 1jba n GLU 12 Ca -0.05 -0.55 0.09 0.00 -0.02 0.00 0.00 57.16 56.63 1jba n GLU 12 Cb 0.72 -1.16 0.03 0.00 -0.02 0.00 0.00 31.44 31.01 1jba n GLU 12 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1jba h ASN 13 N 0.92 0.00 0.00 1.62 -0.73 -0.41 -3.47 115.58 113.51 1jba h ASN 13 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1jba h ASN 13 Cb 0.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.80 1jba h ASN 13 CO 0.00 0.12 0.00 0.61 -0.37 0.00 0.00 177.43 177.79 1jba n GLY 14 N 1.20 0.78 2.68 1.57 0.00 -1.21 -4.84 105.19 105.37 1jba n GLY 14 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1jba n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 15 N 0.94 -0.88 -1.19 4.61 0.00 -1.26 -5.14 120.51 117.58 1jba n ALA 15 Ca 0.00 -1.51 -0.37 0.00 0.00 0.00 0.00 53.44 51.56 1jba n ALA 15 Cb 0.00 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.17 1jba n ALA 15 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1jba n VAL 16 N 2.64 0.87 0.00 0.00 3.14 -1.26 -4.96 118.33 118.76 1jba n VAL 16 Ca 0.18 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1jba n VAL 16 Cb 0.56 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jba n GLY 17 N 2.25 0.13 0.42 7.55 0.00 -1.26 -5.06 105.19 109.21 1jba n GLY 17 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.04 0.00 -1.27 4.61 0.00 -1.26 -4.96 120.51 115.59 1jba n ALA 18 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1jba n ALA 18 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N -1.25 5.93 -0.44 0.00 0.00 -1.26 -4.70 120.51 118.79 1jba n ALA 19 Ca 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.29 1jba n ALA 19 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1jba n ALA 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jba n ASP 20 N -1.05 0.00 -0.22 0.00 9.92 -1.26 -1.96 116.55 121.98 1jba n ASP 20 Ca 0.61 0.65 -0.07 0.00 -0.53 0.00 0.00 54.79 55.45 1jba n ASP 20 Cb 1.24 -0.28 0.03 0.00 -0.64 0.00 0.00 41.12 41.47 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jba h ALA 21 N -2.00 0.79 -0.78 2.24 0.00 -1.99 -2.37 119.26 115.14 1jba h ALA 21 Ca 0.00 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 54.97 1jba h ALA 21 Cb 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 17.42 1jba h ALA 21 CO 0.00 0.34 0.09 0.00 0.00 0.00 0.00 179.25 179.68 1jba h ALA 22 N 1.13 0.93 -0.64 0.00 0.00 -1.85 0.66 119.26 119.49 1jba h ALA 22 Ca 0.21 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1jba h ALA 22 Cb 0.10 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1jba h ALA 22 CO -0.03 -0.42 0.38 1.96 0.00 0.00 0.00 179.25 181.14 1jba h GLN 23 N 0.16 0.88 0.00 0.00 4.20 -0.89 -0.19 115.11 119.27 1jba h GLN 23 Ca 0.45 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 59.07 1jba h GLN 23 Cb 0.82 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 1jba h GLN 23 CO -0.63 0.63 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.06 1jba h LEU 24 N 0.87 0.00 0.60 1.46 4.07 0.55 -1.52 115.31 121.35 1jba h LEU 24 Ca 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 1jba h LEU 24 Cb -0.01 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.73 1jba h LEU 24 CO -0.04 0.03 -0.29 -0.61 -1.08 0.00 0.00 178.44 176.45 1jba h GLN 25 N 0.00 -0.78 0.00 1.13 4.15 0.11 -1.96 115.11 117.76 1jba h GLN 25 Ca -0.00 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1jba h GLN 25 Cb 0.12 0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.99 1jba h GLN 25 CO 0.00 -0.51 0.00 0.93 -1.93 0.00 0.00 178.83 177.33 1jba h GLU 26 N -1.20 0.00 -0.04 1.69 5.08 -1.29 -1.05 114.58 117.77 1jba h GLU 26 Ca -0.08 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.07 1jba h GLU 26 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1jba h GLU 26 CO 0.14 0.00 -0.86 2.35 -1.00 0.00 0.00 179.01 179.64 1jba h TRP 27 N 0.00 0.64 -0.03 4.33 7.01 -1.03 -2.18 115.95 124.69 1jba h TRP 27 Ca 0.00 -0.32 -0.17 0.00 2.11 0.00 0.00 58.89 60.51 1jba h TRP 27 Cb 0.12 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1jba h TRP 27 CO 0.00 1.12 -0.75 -0.92 -2.79 0.00 0.00 178.44 175.10 1jba h TYR 28 N 0.28 0.30 0.00 2.65 3.20 -0.42 -1.72 116.97 121.26 1jba h TYR 28 Ca -0.06 -0.14 -0.13 0.00 3.14 0.00 0.00 58.73 61.54 1jba h TYR 28 Cb 1.47 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 1jba h TYR 28 CO 0.06 0.89 -0.60 0.87 -1.64 0.00 0.00 178.16 177.73 1jba h LYS 29 N 0.14 0.00 0.00 1.82 1.79 -1.45 -2.45 116.57 116.41 1jba h LYS 29 Ca -0.03 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1jba h LYS 29 Cb 1.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.96 1jba h LYS 29 CO 0.12 0.60 -0.47 -0.22 -1.08 0.00 0.00 179.45 178.40 1jba h LYS 30 N 0.00 0.00 0.12 3.15 3.64 -1.25 -3.09 116.57 119.14 1jba h LYS 30 Ca -0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1jba h LYS 30 Cb 1.11 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1jba h LYS 30 CO 0.08 0.17 -0.90 0.35 -2.27 0.00 0.00 179.45 176.88 1jba h PHE 31 N 0.00 0.68 0.00 1.91 3.57 -1.13 -3.21 116.94 118.76 1jba h PHE 31 Ca -0.02 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1jba h PHE 31 Cb 1.17 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1jba h PHE 31 CO 0.00 1.32 0.00 1.28 -2.23 0.00 0.00 178.31 178.68 1jba n LEU 32 N -4.06 0.00 0.34 0.59 4.32 -0.94 -2.91 117.00 114.34 1jba n LEU 32 Ca -0.13 0.44 0.23 0.00 -0.02 0.00 0.00 56.01 56.52 1jba n LEU 32 Cb 0.84 -0.44 1.21 0.00 -1.62 0.00 0.00 43.42 43.42 1jba n LEU 32 CO 0.51 -0.11 1.18 -0.08 -1.22 0.00 0.00 177.39 177.67 1jba h GLU 33 N 0.00 0.00 0.00 3.23 4.81 -1.53 0.12 114.58 121.21 1jba h GLU 33 Ca 0.00 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 1jba h GLU 33 Cb 0.33 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1jba h GLU 33 CO 0.00 0.00 -1.64 -1.91 -0.73 0.00 0.00 179.01 174.73 1jba n GLU 34 N -3.06 0.64 -3.03 1.92 4.07 -1.15 -4.77 120.64 115.26 1jba n GLU 34 Ca -0.03 0.09 -0.02 0.00 -0.06 0.00 0.00 57.16 57.14 1jba n GLU 34 Cb 0.08 -1.71 -0.00 0.00 -0.06 0.00 0.00 31.44 29.74 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 1.42 1.99 0.00 0.00 0.02 -0.25 -4.02 135.00 134.16 1jba s PRO 36 Ca 0.22 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.49 1jba s PRO 36 Cb -0.03 -4.62 0.00 0.00 0.02 0.00 0.00 34.50 29.87 1jba s PRO 36 CO -0.06 -3.51 0.00 -1.13 -0.33 0.00 0.00 177.00 171.97 1jba n SER 37 N 16.48 0.00 0.00 2.53 3.41 -1.26 -5.01 113.62 129.77 1jba n SER 37 Ca 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1jba n SER 37 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.12 0.59 3.23 5.00 0.00 -1.26 -5.05 105.19 107.59 1jba n GLY 38 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 -0.02 -0.14 2.61 -4.23 -1.26 -4.45 115.64 106.15 1jba s THR 39 Ca 0.00 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.47 1jba s THR 39 Cb 0.00 -0.55 -0.05 0.00 1.34 0.00 0.00 72.50 73.24 1jba s THR 39 CO 0.00 0.04 0.27 -0.22 -0.54 0.00 0.00 174.62 174.17 1jba s LEU 40 N 1.19 4.29 0.29 4.79 0.20 -0.74 -4.95 118.68 123.75 1jba s LEU 40 Ca -0.08 0.53 0.03 0.00 0.69 0.00 0.00 54.13 55.30 1jba s LEU 40 Cb -0.08 -2.33 -0.03 0.00 -0.43 0.00 0.00 46.19 43.32 1jba s LEU 40 CO -0.10 0.18 0.44 -0.36 -0.29 0.00 0.00 176.35 176.22 1jba s PHE 41 N 0.07 3.44 0.12 5.38 0.08 -1.26 -2.09 117.98 123.72 1jba s PHE 41 Ca 0.16 0.10 -0.29 0.00 0.12 0.00 0.00 56.93 57.02 1jba s PHE 41 Cb -0.13 -1.73 -0.07 0.00 -0.57 0.00 0.00 43.02 40.51 1jba s PHE 41 CO 0.04 0.28 1.59 0.52 -0.10 0.00 0.00 175.22 177.56 1jba h MET 42 N 0.98 -0.54 -1.00 0.44 2.86 -1.98 -1.43 114.93 114.26 1jba h MET 42 Ca -0.51 0.04 0.38 0.00 -2.06 0.00 0.00 59.70 57.55 1jba h MET 42 Cb 1.23 0.12 -0.17 0.00 0.06 0.00 0.00 31.60 32.84 1jba h MET 42 CO 0.60 -0.36 0.49 0.45 1.06 0.00 0.00 176.91 179.16 1jba h HIS 43 N -0.56 0.76 0.00 -0.22 3.86 -2.00 2.17 115.15 119.16 1jba h HIS 43 Ca 0.05 0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1jba h HIS 43 Cb 0.63 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1jba h HIS 43 CO -0.39 -0.41 -0.29 1.49 0.86 0.00 0.00 177.93 179.20 1jba h GLU 44 N 0.07 0.00 0.03 2.45 4.81 -1.67 -2.76 114.58 117.51 1jba h GLU 44 Ca 0.80 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.76 1jba h GLU 44 Cb 2.02 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.42 1jba h GLU 44 CO -0.75 0.29 -1.08 0.35 -0.73 0.00 0.00 179.01 177.09 1jba h PHE 45 N 0.00 0.96 0.43 0.92 3.57 0.39 -2.61 116.94 120.60 1jba h PHE 45 Ca -0.00 -0.54 -0.02 0.00 3.53 0.00 0.00 57.97 60.93 1jba h PHE 45 Cb 0.83 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1jba h PHE 45 CO 0.00 1.38 -0.21 0.87 -2.23 0.00 0.00 178.31 178.13 1jba h LYS 46 N 0.34 -0.56 -0.79 1.11 1.57 -1.17 -2.40 116.57 114.67 1jba h LYS 46 Ca -0.14 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1jba h LYS 46 Cb 1.74 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 34.12 1jba h LYS 46 CO 0.21 -0.25 0.52 0.00 -0.57 0.00 0.00 179.45 179.36 1jba h ARG 47 N -0.91 0.75 0.41 3.15 2.47 -1.61 0.73 114.38 119.37 1jba h ARG 47 Ca -0.06 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1jba h ARG 47 Cb 0.56 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1jba h ARG 47 CO 0.10 0.49 -0.20 0.74 0.56 0.00 0.00 179.97 181.67 1jba h PHE 48 N 0.77 -0.51 -0.00 3.04 -1.00 -1.41 1.28 116.94 119.11 1jba h PHE 48 Ca 0.36 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.12 1jba h PHE 48 Cb 0.37 0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1jba h PHE 48 CO -0.00 -0.24 -0.04 1.19 -1.61 0.00 0.00 178.31 177.61 1jba n PHE 49 N -5.27 0.00 -0.04 -0.55 3.01 -0.91 -4.29 117.46 109.41 1jba n PHE 49 Ca -0.11 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.30 1jba n PHE 49 Cb 0.27 -0.48 -0.02 0.00 -0.01 0.00 0.00 39.48 39.24 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 -1.50 0.32 -1.27 -1.08 4.81 0.25 -5.08 118.16 114.61 1jba n LYS 50 Ca 0.07 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1jba n LYS 50 Cb 0.34 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 -3.96 -2.38 -1.53 3.15 0.31 0.44 -4.54 118.33 109.82 1jba n VAL 51 Ca -0.08 1.19 -0.39 0.00 -0.01 0.00 0.00 64.34 65.04 1jba n VAL 51 Cb 0.31 -1.97 -0.07 0.00 -0.91 0.00 0.00 33.84 31.21 1jba n VAL 51 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1jba n PRO 52 N -2.38 0.82 0.00 5.55 -0.01 -1.26 -4.35 135.00 133.37 1jba n PRO 52 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 63.50 63.55 1jba n PRO 52 Cb 0.39 -2.81 0.00 0.00 -0.01 0.00 0.00 33.50 31.06 1jba n PRO 52 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 1jba n ASP 53 N 13.61 0.00 -4.48 2.55 2.03 -1.26 -5.11 116.55 123.90 1jba n ASP 53 Ca 0.45 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.37 1jba n ASP 53 Cb 0.37 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.66 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 2.00 5.70 0.00 1.67 0.01 -1.26 -5.08 114.94 117.98 1jba s ASN 54 Ca 0.00 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1jba s ASN 54 Cb 0.00 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.62 1jba s ASN 54 CO 0.00 -0.19 0.00 -1.84 -1.51 0.00 0.00 177.10 173.56 1jba n GLU 55 N 5.02 1.04 0.00 -0.60 0.28 -1.26 -4.07 120.64 121.04 1jba n GLU 55 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 1jba n GLU 55 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1jba n GLU 55 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1jba n GLU 56 N 0.00 0.00 -0.54 3.44 1.02 -1.26 -4.60 120.64 118.70 1jba n GLU 56 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1jba n GLU 56 Cb 0.00 -3.41 0.06 0.00 -0.02 0.00 0.00 31.44 28.07 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 0.94 3.95 -0.06 0.62 0.00 -1.26 -3.63 120.51 121.07 1jba n ALA 57 Ca 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 53.44 52.26 1jba n ALA 57 Cb 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 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 0.04 0.83 0.25 0.00 -1.04 -1.26 -4.35 114.28 108.75 1jba n THR 58 Ca 0.23 -0.59 -0.16 0.00 -2.04 0.00 0.00 64.05 61.49 1jba n THR 58 Cb 0.86 -0.44 -0.08 0.00 -1.82 0.00 0.00 70.33 68.84 1jba n THR 58 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1jba h GLN 59 N 0.00 -0.57 -0.63 -2.82 4.15 -1.96 -0.27 115.11 113.01 1jba h GLN 59 Ca -0.33 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.26 1jba h GLN 59 Cb 1.69 0.13 -0.10 0.00 0.21 0.00 0.00 27.48 29.42 1jba h GLN 59 CO 0.02 -0.37 0.08 -0.92 -1.93 0.00 0.00 178.83 175.70 1jba h TYR 60 N -0.60 0.10 -0.22 3.99 3.20 -1.82 -0.54 116.97 121.08 1jba h TYR 60 Ca -0.06 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1jba h TYR 60 Cb 0.46 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1jba h TYR 60 CO -0.04 -0.10 0.13 0.28 -1.64 0.00 0.00 178.16 176.78 1jba h VAL 61 N 0.19 1.03 -0.85 1.81 2.07 -1.69 -2.04 116.25 116.78 1jba h VAL 61 Ca 0.33 -0.09 0.22 0.00 0.82 0.00 0.00 66.70 67.98 1jba h VAL 61 Cb 0.53 0.74 -0.14 0.00 -1.52 0.00 0.00 31.29 30.91 1jba h VAL 61 CO -0.48 0.05 0.21 -0.08 0.02 0.00 0.00 177.57 177.29 1jba h GLU 62 N 0.26 0.21 -0.73 1.57 4.57 0.57 0.93 114.58 121.96 1jba h GLU 62 Ca 0.08 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1jba h GLU 62 Cb -0.01 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1jba h GLU 62 CO -0.04 0.14 0.42 0.00 -1.18 0.00 0.00 179.01 178.35 1jba h ALA 63 N 1.75 1.37 0.13 2.92 0.00 -0.82 -2.39 119.26 122.23 1jba h ALA 63 Ca 0.52 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1jba h ALA 63 Cb 1.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jba h ALA 63 CO -0.64 0.53 -0.10 1.98 0.00 0.00 0.00 179.25 181.02 1jba h MET 64 N 1.01 -0.23 -0.68 0.00 1.85 0.12 0.51 114.93 117.50 1jba h MET 64 Ca 0.26 0.02 0.15 0.00 -0.61 0.00 0.00 59.70 59.51 1jba h MET 64 Cb -0.01 0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.03 1jba h MET 64 CO -0.05 -0.16 0.47 0.35 -0.40 0.00 0.00 176.91 177.12 1jba h PHE 65 N -0.24 0.34 0.32 1.39 3.04 -0.90 -1.17 116.94 119.72 1jba h PHE 65 Ca -0.01 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1jba h PHE 65 Cb 0.22 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1jba h PHE 65 CO -0.10 0.13 -0.15 0.00 -2.02 0.00 0.00 178.31 176.17 1jba h ARG 66 N 0.29 -0.41 0.00 1.11 3.08 -0.81 -0.02 114.38 117.63 1jba h ARG 66 Ca 0.33 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1jba h ARG 66 Cb 0.89 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1jba h ARG 66 CO -0.08 -0.27 0.22 0.00 -1.07 0.00 0.00 179.97 178.76 1jba n ALA 67 N -2.75 0.70 -0.10 0.04 0.00 0.07 -2.00 120.51 116.48 1jba n ALA 67 Ca -0.05 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.34 1jba n ALA 67 Cb 0.17 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 1jba n ALA 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1jba n PHE 68 N -1.89 0.46 -1.94 0.00 3.72 -0.47 -4.81 117.46 112.52 1jba n PHE 68 Ca -0.01 0.20 -0.42 0.00 -0.05 0.00 0.00 57.45 57.17 1jba n PHE 68 Cb 0.23 -0.80 -0.03 0.00 -0.94 0.00 0.00 39.48 37.94 1jba n PHE 68 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1jba s ASP 69 N -6.40 6.62 0.00 4.37 2.15 -0.03 -4.75 116.67 118.64 1jba s ASP 69 Ca -0.27 2.47 0.00 0.00 0.43 0.00 0.00 52.55 55.17 1jba s ASP 69 Cb 0.06 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1jba s ASP 69 CO 0.41 -0.88 0.00 0.35 -0.17 0.00 0.00 175.17 174.89 1jba n THR 70 N 4.71 0.00 0.29 1.71 -2.24 -1.26 -4.80 114.28 112.69 1jba n THR 70 Ca 0.16 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.08 1jba n THR 70 Cb 0.41 0.00 0.68 0.00 -2.10 0.00 0.00 70.33 69.32 1jba n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jba h ASN 71 N 0.00 0.00 -3.40 3.42 7.08 -1.96 -3.47 115.58 117.25 1jba h ASN 71 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1jba h ASN 71 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1jba h ASN 71 CO 0.00 0.00 -0.15 0.61 -2.08 0.00 0.00 177.43 175.81 1jba n GLY 72 N -0.58 -2.17 0.00 9.14 0.00 -1.26 -5.02 105.19 105.30 1jba n GLY 72 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.11 0.00 -2.35 1.61 5.75 -1.26 -5.01 116.55 115.18 1jba n ASP 73 Ca 0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.59 1jba n ASP 73 Cb 0.03 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.00 -5.60 -3.75 -1.12 3.02 -1.26 -4.95 115.26 101.61 1jba n ASN 74 Ca 0.00 0.05 -0.11 0.00 -0.03 0.00 0.00 54.58 54.49 1jba n ASN 74 Cb 0.00 -4.69 -0.07 0.00 -0.61 0.00 0.00 39.78 34.42 1jba n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1jba s THR 75 N -2.96 0.09 -0.32 3.41 -4.23 -1.26 -4.82 115.64 105.55 1jba s THR 75 Ca 0.00 -0.75 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 1jba s THR 75 Cb 0.00 -1.06 0.10 0.00 1.34 0.00 0.00 72.50 72.87 1jba s THR 75 CO 0.00 -0.41 0.06 -0.63 -0.54 0.00 0.00 174.62 173.10 1jba s ILE 76 N -3.06 1.62 0.80 2.99 -1.09 -0.89 -4.99 121.20 116.57 1jba s ILE 76 Ca -0.01 -1.83 -0.11 0.00 -2.23 0.00 0.00 60.65 56.47 1jba s ILE 76 Cb 0.01 -2.17 0.07 0.00 -1.58 0.00 0.00 42.46 38.79 1jba s ILE 76 CO -0.07 -0.58 1.09 1.51 -1.23 0.00 0.00 174.94 175.67 1jba s ASP 77 N 1.25 4.27 0.00 3.58 -4.77 -1.26 -1.79 116.67 117.95 1jba s ASP 77 Ca 0.09 1.80 0.00 0.00 -3.30 0.00 0.00 52.55 51.14 1jba s ASP 77 Cb -0.18 -2.48 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1jba s ASP 77 CO -0.15 -2.18 0.91 0.33 0.70 0.00 0.00 175.17 174.77 1jba n PHE 78 N -3.62 0.00 -0.17 2.11 7.35 -1.26 -0.66 117.46 121.21 1jba n PHE 78 Ca 0.09 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.65 1jba n PHE 78 Cb 0.53 -0.45 -0.09 0.00 0.35 0.00 0.00 39.48 39.83 1jba n PHE 78 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1jba h LEU 79 N 0.00 -1.82 -0.78 -2.13 5.85 -1.98 0.13 115.31 114.59 1jba h LEU 79 Ca 0.00 0.25 0.14 0.00 0.84 0.00 0.00 57.88 59.11 1jba h LEU 79 Cb 0.00 0.76 -0.14 0.00 0.37 0.00 0.00 40.66 41.65 1jba h LEU 79 CO 0.00 -0.38 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.33 1jba h GLU 80 N -0.33 -0.06 -0.63 1.25 4.81 -1.59 0.70 114.58 118.72 1jba h GLU 80 Ca 0.10 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1jba h GLU 80 Cb 0.58 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1jba h GLU 80 CO -0.64 -0.04 0.36 -0.92 -0.73 0.00 0.00 179.01 177.04 1jba h TYR 81 N -0.07 0.67 -0.45 0.92 3.20 0.84 -0.93 116.97 121.16 1jba h TYR 81 Ca 0.32 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 1jba h TYR 81 Cb 0.58 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1jba h TYR 81 CO -0.71 0.34 0.11 0.28 -1.64 0.00 0.00 178.16 176.55 1jba h VAL 82 N 0.68 1.19 -0.81 1.81 2.07 0.25 -2.07 116.25 119.38 1jba h VAL 82 Ca 0.27 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 67.19 1jba h VAL 82 Cb 0.13 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1jba h VAL 82 CO -0.15 0.25 0.47 0.00 0.02 0.00 0.00 177.57 178.16 1jba h ALA 83 N 1.48 1.13 -0.41 1.67 0.00 0.15 -1.36 119.26 121.93 1jba h ALA 83 Ca 0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jba h ALA 83 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1jba h ALA 83 CO -0.00 0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.65 1jba h ALA 84 N 1.42 0.51 -0.14 0.00 0.00 -1.03 -2.76 119.26 117.26 1jba h ALA 84 Ca 0.38 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1jba h ALA 84 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1jba h ALA 84 CO -0.22 -0.02 -0.24 -0.07 0.00 0.00 0.00 179.25 178.70 1jba h LEU 85 N 0.55 -0.79 -0.97 0.00 3.38 -1.06 0.14 115.31 116.55 1jba h LEU 85 Ca 0.15 0.10 0.33 0.00 0.09 0.00 0.00 57.88 58.55 1jba h LEU 85 Cb -0.05 0.32 -0.17 0.00 0.09 0.00 0.00 40.66 40.85 1jba h LEU 85 CO -0.03 -0.19 0.34 -1.13 0.09 0.00 0.00 178.44 177.52 1jba h ASN 86 N -0.20 0.05 0.64 -0.43 -0.73 -1.41 0.84 115.58 114.36 1jba h ASN 86 Ca 0.03 0.24 -0.03 0.00 1.87 0.00 0.00 56.30 58.41 1jba h ASN 86 Cb 0.27 0.31 0.01 0.00 0.27 0.00 0.00 38.32 39.18 1jba h ASN 86 CO -0.24 -0.31 -0.31 0.25 -0.37 0.00 0.00 177.43 176.45 1jba h LEU 87 N 0.09 -0.73 0.18 0.34 7.12 -0.51 -3.35 115.31 118.46 1jba h LEU 87 Ca 0.70 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.73 1jba h LEU 87 Cb 1.65 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.97 1jba h LEU 87 CO -0.77 -0.52 -0.09 0.58 -0.13 0.00 0.00 178.44 177.51 1jba h VAL 88 N -0.87 0.00 -3.43 1.05 2.07 0.64 -3.45 116.25 112.26 1jba h VAL 88 Ca -0.09 -0.13 -0.57 0.00 0.82 0.00 0.00 66.70 66.73 1jba h VAL 88 Cb 0.66 0.00 0.14 0.00 -1.52 0.00 0.00 31.29 30.57 1jba h VAL 88 CO 0.15 0.00 0.25 0.18 0.02 0.00 0.00 177.57 178.17 1jba n LEU 89 N -3.04 3.53 -4.49 2.57 4.32 0.28 -4.82 117.00 115.35 1jba n LEU 89 Ca -0.03 0.96 -0.47 0.00 -0.02 0.00 0.00 56.01 56.45 1jba n LEU 89 Cb 0.10 -1.42 -0.03 0.00 -1.62 0.00 0.00 43.42 40.46 1jba n LEU 89 CO 0.07 -1.37 0.29 0.54 -1.22 0.00 0.00 177.39 175.70 1jba n ARG 90 N -0.39 0.64 0.00 3.23 1.74 -1.26 -4.49 116.66 116.13 1jba n ARG 90 Ca 0.10 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1jba n ARG 90 Cb 0.43 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1jba n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jba n GLY 91 N 1.65 -1.35 2.09 -0.13 0.00 -1.26 -4.87 105.19 101.33 1jba n GLY 91 Ca 0.14 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 1jba n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jba n THR 92 N 0.00 0.00 0.00 2.61 -2.24 -1.25 -5.11 114.28 108.29 1jba n THR 92 Ca 0.00 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1jba n THR 92 Cb 0.00 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 1jba n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jba n LEU 93 N 0.00 0.00 0.00 3.22 -0.00 -1.26 -4.85 117.00 114.11 1jba n LEU 93 Ca 0.09 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.21 1jba n LEU 93 Cb 0.32 0.00 0.52 0.00 -0.00 0.00 0.00 43.42 44.26 1jba n LEU 93 CO 0.22 0.00 0.88 -0.62 -0.00 0.00 0.00 177.39 177.87 1jba n GLU 94 N 0.00 0.05 0.27 1.47 -0.58 -1.26 -3.66 120.64 116.93 1jba n GLU 94 Ca 0.00 0.09 0.04 0.00 -0.42 0.00 0.00 57.16 56.86 1jba n GLU 94 Cb 0.00 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 29.56 1jba n GLU 94 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1jba h HIS 95 N 0.00 0.00 -0.06 -0.32 2.76 -1.98 0.58 115.15 116.12 1jba h HIS 95 Ca 0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 1jba h HIS 95 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1jba h HIS 95 CO 0.00 0.00 -0.18 -0.22 -1.30 0.00 0.00 177.93 176.23 1jba h LYS 96 N 0.00 0.24 -1.00 5.26 1.63 -1.90 -2.54 116.57 118.26 1jba h LYS 96 Ca 0.00 -0.17 0.21 0.00 -0.85 0.00 0.00 60.65 59.84 1jba h LYS 96 Cb 1.46 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 33.02 1jba h LYS 96 CO 0.00 0.78 0.62 -0.07 -3.45 0.00 0.00 179.45 177.33 1jba h LEU 97 N -0.27 0.68 -0.15 5.20 3.38 -0.13 0.35 115.31 124.36 1jba h LEU 97 Ca -0.00 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1jba h LEU 97 Cb 0.80 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1jba h LEU 97 CO 0.04 0.21 -0.28 0.50 0.09 0.00 0.00 178.44 178.99 1jba h LYS 98 N 0.64 0.46 0.66 1.13 3.11 -1.58 -2.60 116.57 118.40 1jba h LYS 98 Ca 0.58 -0.29 -0.03 0.00 -2.81 0.00 0.00 60.65 58.09 1jba h LYS 98 Cb 1.07 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.35 1jba h LYS 98 CO -0.36 0.89 -0.32 2.35 -2.81 0.00 0.00 179.45 179.21 1jba h TRP 99 N 0.09 -0.82 -0.84 1.91 7.01 -0.61 -2.50 115.95 120.18 1jba h TRP 99 Ca 0.01 -0.02 0.21 0.00 2.11 0.00 0.00 58.89 61.20 1jba h TRP 99 Cb 0.87 0.27 -0.13 0.00 -2.10 0.00 0.00 29.16 28.07 1jba h TRP 99 CO 0.10 -0.48 0.22 0.00 -2.79 0.00 0.00 178.44 175.49 1jba h THR 100 N -1.13 0.37 -0.88 2.65 1.03 -0.51 1.00 112.91 115.44 1jba h THR 100 Ca -0.09 -0.08 0.11 0.00 -0.01 0.00 0.00 66.41 66.34 1jba h THR 100 Cb 0.72 0.12 -0.07 0.00 -1.07 0.00 0.00 68.15 67.85 1jba h THR 100 CO 0.15 0.04 0.57 0.15 -0.01 0.00 0.00 175.52 176.42 1jba h PHE 101 N 0.23 0.90 0.07 0.00 3.04 -1.33 -1.59 116.94 118.26 1jba h PHE 101 Ca 0.51 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.49 1jba h PHE 101 Cb 1.00 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1jba h PHE 101 CO -0.27 0.39 -0.07 -0.22 -2.02 0.00 0.00 178.31 176.13 1jba h LYS 102 N 0.81 -0.14 -0.53 1.11 3.11 0.15 -1.66 116.57 119.42 1jba h LYS 102 Ca 0.42 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.36 1jba h LYS 102 Cb 0.50 0.03 -0.11 0.00 -1.00 0.00 0.00 32.23 31.65 1jba h LYS 102 CO -0.18 -0.10 -0.34 0.82 -2.81 0.00 0.00 179.45 176.84 1jba h ILE 103 N -0.15 0.18 -0.70 2.00 1.08 -0.88 0.72 117.51 119.75 1jba h ILE 103 Ca 0.00 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 1jba h ILE 103 Cb 0.14 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.03 1jba h ILE 103 CO -0.02 0.00 0.47 1.88 -0.69 0.00 0.00 178.15 179.79 1jba h TYR 104 N -0.20 0.48 -0.08 1.37 0.05 -1.27 -3.05 116.97 114.27 1jba h TYR 104 Ca 0.21 0.01 -0.70 0.00 0.05 0.00 0.00 58.73 58.30 1jba h TYR 104 Cb 0.55 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 1jba h TYR 104 CO -0.62 0.20 3.23 -3.47 -1.05 0.00 0.00 178.16 176.46 1jba n ASP 105 N -4.48 5.03 -0.12 3.88 -0.08 0.25 -4.65 116.55 116.38 1jba n ASP 105 Ca 0.13 -2.80 -0.11 0.00 -1.51 0.00 0.00 54.79 50.49 1jba n ASP 105 Cb 0.46 -1.63 -0.02 0.00 2.34 0.00 0.00 41.12 42.27 1jba n ASP 105 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1jba h LYS 106 N 5.76 0.70 0.00 -0.67 3.64 -1.65 -2.61 116.57 121.74 1jba h LYS 106 Ca 0.63 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1jba h LYS 106 Cb 0.56 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1jba h LYS 106 CO 1.85 0.87 0.00 -0.40 -2.27 0.00 0.00 179.45 179.50 1jba n ASP 107 N -4.38 0.00 -2.99 4.20 5.75 -1.26 -4.95 116.55 112.93 1jba n ASP 107 Ca -0.02 -0.85 -0.05 0.00 -0.01 0.00 0.00 54.79 53.86 1jba n ASP 107 Cb 0.36 -0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.45 1jba n ASP 107 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1jba n ARG 108 N -1.00 -2.07 0.00 0.11 1.74 -0.98 -4.95 116.66 109.50 1jba n ARG 108 Ca 0.20 1.86 0.00 0.00 -0.77 0.00 0.00 57.85 59.14 1jba n ARG 108 Cb 0.09 -3.52 0.00 0.00 -1.02 0.00 0.00 32.46 28.01 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 0.69 0.00 0.00 0.55 6.94 -1.26 -4.98 115.26 117.20 1jba n ASN 109 Ca 0.01 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.57 1jba n ASN 109 Cb 0.31 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 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 0.40 3.14 4.83 0.00 -1.26 -4.98 105.19 107.32 1jba n GLY 110 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.92 1.52 0.08 0.00 1.01 -0.37 -4.74 121.20 114.78 1jba s ILE 112 Ca 0.09 -1.88 -0.07 0.00 0.00 0.00 0.00 60.65 58.80 1jba s ILE 112 Cb 0.07 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1jba s ILE 112 CO -0.08 -0.44 0.14 -1.81 0.00 0.00 0.00 174.94 172.74 1jba s ASP 113 N -2.71 0.21 0.09 3.58 1.01 -1.26 -2.51 116.67 115.08 1jba s ASP 113 Ca 0.14 -0.76 0.04 0.00 0.71 0.00 0.00 52.55 52.68 1jba s ASP 113 Cb -0.04 0.31 0.24 0.00 1.01 0.00 0.00 42.92 44.44 1jba s ASP 113 CO 0.04 -0.71 1.00 -2.11 0.21 0.00 0.00 175.17 173.61 1jba n ARG 114 N -0.03 0.03 -0.08 8.23 1.85 -1.26 -1.58 116.66 123.82 1jba n ARG 114 Ca -0.14 0.41 -0.14 0.00 -1.00 0.00 0.00 57.85 56.98 1jba n ARG 114 Cb 0.62 -1.77 -0.09 0.00 -1.05 0.00 0.00 32.46 30.17 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 0.00 -0.49 2.89 5.75 -1.98 -2.70 115.11 118.58 1jba h GLN 115 Ca 0.00 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.59 1jba h GLN 115 Cb 0.36 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1jba h GLN 115 CO 0.00 0.74 0.33 0.93 -2.65 0.00 0.00 178.83 178.18 1jba h GLU 116 N -1.00 0.28 0.17 1.69 5.08 -1.62 -2.50 114.58 116.69 1jba h GLU 116 Ca -0.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1jba h GLU 116 Cb 0.91 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1jba h GLU 116 CO -0.08 0.19 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.97 1jba h LEU 117 N 0.29 -0.20 -1.95 1.33 3.38 -1.60 -1.28 115.31 115.28 1jba h LEU 117 Ca 0.22 -0.29 0.53 0.00 0.09 0.00 0.00 57.88 58.43 1jba h LEU 117 Cb 0.51 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.23 1jba h LEU 117 CO -0.05 0.36 1.30 0.25 0.09 0.00 0.00 178.44 180.39 1jba h LEU 118 N -0.94 0.02 0.19 1.67 5.85 -1.12 2.44 115.31 123.41 1jba h LEU 118 Ca -0.02 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 1jba h LEU 118 Cb 0.48 0.01 0.03 0.00 0.37 0.00 0.00 40.66 41.55 1jba h LEU 118 CO 0.04 -0.02 -1.14 0.44 -0.34 0.00 0.00 178.44 177.42 1jba h ASP 119 N 0.00 0.62 0.34 1.25 3.32 -1.34 -2.70 116.42 117.92 1jba h ASP 119 Ca 0.88 -0.93 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1jba h ASP 119 Cb 3.48 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 42.83 1jba h ASP 119 CO -0.04 1.55 -0.17 0.40 -1.72 0.00 0.00 179.24 179.26 1jba h ILE 120 N -0.15 0.35 -0.77 0.35 1.08 0.49 -2.72 117.51 116.14 1jba h ILE 120 Ca -0.21 -0.74 0.18 0.00 -0.39 0.00 0.00 64.86 63.71 1jba h ILE 120 Cb 1.87 0.56 -0.13 0.00 -3.07 0.00 0.00 36.82 36.05 1jba h ILE 120 CO 0.20 0.08 0.06 -0.37 -0.69 0.00 0.00 178.15 177.42 1jba h VAL 121 N -1.02 0.35 -1.00 1.67 -1.51 0.43 1.61 116.25 116.78 1jba h VAL 121 Ca -0.05 -0.05 0.21 0.00 -1.23 0.00 0.00 66.70 65.58 1jba h VAL 121 Cb 0.49 0.21 -0.11 0.00 -2.13 0.00 0.00 31.29 29.74 1jba h VAL 121 CO 0.08 0.02 0.60 -0.08 -1.23 0.00 0.00 177.57 176.96 1jba h GLU 122 N 0.13 0.68 -0.13 5.19 4.57 -1.46 0.30 114.58 123.87 1jba h GLU 122 Ca 0.43 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 1jba h GLU 122 Cb 0.78 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1jba h GLU 122 CO -0.65 0.45 0.00 0.77 -1.18 0.00 0.00 179.01 178.41 1jba h SER 123 N 0.70 0.22 -0.52 1.04 0.02 0.26 -1.34 113.55 113.93 1jba h SER 123 Ca 0.60 -0.31 0.07 0.00 -0.84 0.00 0.00 61.79 61.31 1jba h SER 123 Cb 1.00 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.42 1jba h SER 123 CO -0.41 0.47 0.21 0.40 -1.14 0.00 0.00 176.83 176.36 1jba h ILE 124 N -0.04 0.85 -0.77 3.27 5.03 0.13 -1.03 117.51 124.96 1jba h ILE 124 Ca 0.04 -0.14 0.02 0.00 -0.12 0.00 0.00 64.86 64.65 1jba h ILE 124 Cb 0.36 0.41 -0.04 0.00 -3.03 0.00 0.00 36.82 34.52 1jba h ILE 124 CO 0.01 0.07 0.50 1.88 -0.68 0.00 0.00 178.15 179.93 1jba h TYR 125 N 0.40 0.95 -0.64 1.37 -1.99 -0.41 -0.54 116.97 116.11 1jba h TYR 125 Ca 0.25 0.02 0.13 0.00 2.00 0.00 0.00 58.73 61.13 1jba h TYR 125 Cb 0.25 -0.32 -0.12 0.00 2.00 0.00 0.00 36.73 38.54 1jba h TYR 125 CO -0.15 0.58 -0.15 -0.22 -0.00 0.00 0.00 178.16 178.21 1jba h LYS 126 N 1.01 0.00 0.07 4.88 1.63 -0.01 0.19 116.57 124.34 1jba h LYS 126 Ca 0.29 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1jba h LYS 126 Cb -0.07 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.56 1jba h LYS 126 CO -0.08 0.00 -0.03 1.25 -3.45 0.00 0.00 179.45 177.14 1jba h LEU 127 N 0.00 -0.08 -1.52 5.20 7.12 -1.11 -2.59 115.31 122.34 1jba h LEU 127 Ca 0.31 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1jba h LEU 127 Cb 0.47 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1jba h LEU 127 CO -0.66 0.33 0.44 0.50 -0.13 0.00 0.00 178.44 178.92 1jba h LYS 128 N -0.50 0.00 -0.49 1.25 3.64 0.10 -2.77 116.57 117.80 1jba h LYS 128 Ca -0.01 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1jba h LYS 128 Cb 0.43 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 1jba h LYS 128 CO 0.02 0.00 -0.33 -0.22 -2.27 0.00 0.00 179.45 176.65 1jba h LYS 129 N 0.00 -0.05 -2.43 1.90 3.64 -0.26 -0.13 116.57 119.24 1jba h LYS 129 Ca 0.00 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.71 1jba h LYS 129 Cb 0.88 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.56 1jba h LYS 129 CO 0.00 -0.03 1.81 0.00 -2.27 0.00 0.00 179.45 178.96 1jba n ALA 130 N -3.09 6.69 0.60 5.00 0.00 -1.04 -4.45 120.51 124.21 1jba n ALA 130 Ca 0.00 -3.82 0.12 0.00 0.00 0.00 0.00 53.44 49.74 1jba n ALA 130 Cb 0.16 -2.58 0.11 0.00 0.00 0.00 0.00 19.45 17.13 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 -2.00 -6.18 0.16 0.00 2.88 -1.26 -4.92 113.62 102.30 1jba n SER 132 Ca 0.03 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1jba n SER 132 Cb 0.43 -2.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.28 1jba n SER 132 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1jba n VAL 133 N -0.14 0.00 0.00 2.46 0.31 -1.26 -5.13 118.33 114.57 1jba n VAL 133 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1jba n VAL 133 Cb 0.61 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 1jba n VAL 133 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jba n GLU 134 N -3.45 0.00 -3.27 5.55 1.02 -1.26 -5.09 120.64 114.14 1jba n GLU 134 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1jba n GLU 134 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1jba n GLU 134 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jba s VAL 135 N 0.59 0.02 0.14 2.62 1.01 -1.26 -5.01 120.40 118.50 1jba s VAL 135 Ca 0.00 -2.17 -0.32 0.00 0.00 0.00 0.00 61.98 59.49 1jba s VAL 135 Cb 0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 1jba s VAL 135 CO 0.00 -0.94 1.55 -0.33 0.00 0.00 0.00 175.10 175.38 1jba h GLU 136 N 5.67 -0.39 0.00 2.72 3.07 -1.94 -3.46 114.58 120.25 1jba h GLU 136 Ca 0.20 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1jba h GLU 136 Cb 0.96 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1jba h GLU 136 CO 0.28 -0.26 0.00 0.00 -1.40 0.00 0.00 179.01 177.63 1jba n ALA 137 N -3.07 0.19 -1.39 3.43 0.00 -1.26 -5.03 120.51 113.37 1jba n ALA 137 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 1jba n ALA 137 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1jba n ALA 137 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1jba n GLU 138 N 0.00 -0.08 -1.08 0.00 -0.00 -1.26 -4.45 120.64 113.76 1jba n GLU 138 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 57.16 57.41 1jba n GLU 138 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 31.44 31.12 1jba n GLU 138 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1jba n GLN 139 N 0.76 -3.05 0.00 3.44 7.27 -1.26 -5.10 117.38 119.44 1jba n GLN 139 Ca -0.00 2.23 0.00 0.00 0.07 0.00 0.00 57.00 59.30 1jba n GLN 139 Cb 0.17 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.34 1jba n GLN 139 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jba n GLN 140 N -0.32 0.00 0.00 3.69 10.64 -1.26 -5.08 117.38 125.05 1jba n GLN 140 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1jba n GLN 140 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 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 0.00 0.12 0.00 2.61 0.00 -1.26 -5.11 105.19 101.55 1jba n GLY 141 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1jba n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jba n LYS 142 N -1.68 0.00 0.00 1.61 5.02 -1.26 -5.09 118.16 116.76 1jba n LYS 142 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jba n LYS 142 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1jba n LYS 142 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jba n LEU 143 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -4.79 117.00 115.37 1jba n LEU 143 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1jba n LEU 143 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jba n LEU 143 CO 0.00 -0.08 0.02 0.00 -1.33 0.00 0.00 177.39 176.00 1jba n LEU 144 N 0.00 0.00 -4.17 2.23 -0.00 -1.26 -5.14 117.00 108.66 1jba n LEU 144 Ca 0.00 -0.20 -0.10 0.00 -0.00 0.00 0.00 56.01 55.71 1jba n LEU 144 Cb 0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 43.42 43.29 1jba n LEU 144 CO 0.00 -0.48 -0.31 0.42 -0.00 0.00 0.00 177.39 177.03 1jba s THR 145 N 0.58 0.24 0.36 1.47 -4.23 -1.26 -4.98 115.64 107.81 1jba s THR 145 Ca 0.04 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1jba s THR 145 Cb -0.00 -2.04 0.33 0.00 1.34 0.00 0.00 72.50 72.13 1jba s THR 145 CO 0.03 -0.49 1.85 -0.65 -0.54 0.00 0.00 174.62 174.82 1jba h PRO 146 N 2.84 0.64 -0.00 3.99 0.11 -2.02 0.18 132.00 137.73 1jba h PRO 146 Ca -0.35 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1jba h PRO 146 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1jba h PRO 146 CO 0.60 0.42 -0.48 -1.91 -0.21 0.00 0.00 178.00 176.42 1jba n GLU 147 N -4.59 0.08 0.05 1.05 0.00 -1.26 -4.29 120.64 111.69 1jba n GLU 147 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 57.16 57.28 1jba n GLU 147 Cb 0.53 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.46 1jba n GLU 147 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1jba h GLU 148 N 0.12 -0.13 -1.68 5.31 4.22 -1.03 -2.52 114.58 118.87 1jba h GLU 148 Ca 0.00 0.01 0.50 0.00 0.08 0.00 0.00 59.36 59.95 1jba h GLU 148 Cb 0.50 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 1jba h GLU 148 CO 0.00 -0.09 1.18 -0.39 -2.18 0.00 0.00 179.01 177.53 1jba h VAL 149 N -0.20 0.09 -0.43 0.32 -1.51 -1.74 1.89 116.25 114.66 1jba h VAL 149 Ca -0.01 -0.01 -0.15 0.00 -1.23 0.00 0.00 66.70 65.30 1jba h VAL 149 Cb 0.10 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.32 1jba h VAL 149 CO 0.02 0.00 -0.30 0.58 -1.23 0.00 0.00 177.57 176.65 1jba h VAL 150 N 0.02 1.27 0.00 7.19 2.07 -1.73 -1.58 116.25 123.50 1jba h VAL 150 Ca 0.86 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1jba h VAL 150 Cb 3.23 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 1jba h VAL 150 CO -0.13 0.50 -0.24 -0.67 0.02 0.00 0.00 177.57 177.05 1jba n ASP 151 N -4.10 0.25 0.01 0.57 2.03 0.61 -2.96 116.55 112.96 1jba n ASP 151 Ca -0.01 0.15 -0.22 0.00 0.52 0.00 0.00 54.79 55.23 1jba n ASP 151 Cb 0.50 -0.15 -0.14 0.00 -0.72 0.00 0.00 41.12 40.61 1jba n ASP 151 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1jba h ARG 152 N 0.00 0.26 -0.07 -0.67 9.65 -0.21 -2.67 114.38 120.67 1jba h ARG 152 Ca 0.00 -0.44 -0.13 0.00 -1.10 0.00 0.00 59.98 58.31 1jba h ARG 152 Cb 0.51 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1jba h ARG 152 CO 0.00 1.21 -0.53 0.82 2.80 0.00 0.00 179.97 184.28 1jba h ILE 153 N -0.26 1.36 0.08 1.20 2.04 -1.39 -1.90 117.51 118.65 1jba h ILE 153 Ca -0.31 -1.80 -0.00 0.00 1.00 0.00 0.00 64.86 63.74 1jba h ILE 153 Cb 1.80 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1jba h ILE 153 CO 0.07 0.53 -0.04 0.15 0.00 0.00 0.00 178.15 178.86 1jba h PHE 154 N 0.14 -0.11 -0.01 1.37 3.57 -1.66 -2.76 116.94 117.49 1jba h PHE 154 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1jba h PHE 154 Cb 0.98 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1jba h PHE 154 CO 0.01 0.44 -0.09 1.25 -2.23 0.00 0.00 178.31 177.69 1jba h LEU 155 N -0.79 -0.25 -0.17 0.59 5.85 -1.50 2.35 115.31 121.38 1jba h LEU 155 Ca -0.01 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1jba h LEU 155 Cb 0.59 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 1jba h LEU 155 CO 0.02 -0.13 -0.38 0.25 -0.34 0.00 0.00 178.44 177.86 1jba h LEU 156 N -0.15 -1.21 0.04 2.25 5.85 -1.44 -2.76 115.31 117.89 1jba h LEU 156 Ca 0.04 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1jba h LEU 156 Cb 0.20 0.51 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1jba h LEU 156 CO -0.10 -0.40 -0.02 0.58 -0.34 0.00 0.00 178.44 178.17 1jba h VAL 157 N -0.43 0.29 0.00 1.05 2.07 -1.27 -3.33 116.25 114.62 1jba h VAL 157 Ca 0.09 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 1jba h VAL 157 Cb 0.59 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1jba h VAL 157 CO -0.41 0.09 0.13 -0.67 0.02 0.00 0.00 177.57 176.74 1jba n ASP 158 N -4.79 2.09 0.10 0.57 2.03 0.79 -4.26 116.55 113.07 1jba n ASP 158 Ca -0.02 -1.86 -0.01 0.00 0.52 0.00 0.00 54.79 53.42 1jba n ASP 158 Cb 0.10 -0.55 0.26 0.00 -0.72 0.00 0.00 41.12 40.20 1jba n ASP 158 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1jba h GLU 159 N 4.61 0.24 -0.95 -0.67 4.57 -1.61 -2.80 114.58 117.97 1jba h GLU 159 Ca 0.07 -0.10 0.23 0.00 -1.18 0.00 0.00 59.36 58.38 1jba h GLU 159 Cb 0.58 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.09 1jba h GLU 159 CO 0.35 0.56 0.63 -2.95 -1.18 0.00 0.00 179.01 176.42 1jba h ASN 160 N 0.20 0.39 -3.01 1.04 7.08 -1.89 -3.47 115.58 115.93 1jba h ASN 160 Ca 0.02 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 1jba h ASN 160 Cb 0.72 -0.02 -0.00 0.00 -2.08 0.00 0.00 38.32 36.94 1jba h ASN 160 CO 0.05 0.13 -0.01 0.61 -2.08 0.00 0.00 177.43 176.14 1jba n GLY 161 N -1.52 -2.88 0.00 9.14 0.00 -1.06 -5.05 105.19 103.83 1jba n GLY 161 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.01 0.00 0.00 1.61 5.75 -1.26 -5.04 116.55 117.62 1jba n ASP 162 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jba n ASP 162 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jba n GLY 163 N -0.36 1.61 2.86 6.12 0.00 -1.26 -5.07 105.19 109.08 1jba n GLY 163 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.10 0.34 -0.82 1.61 1.11 -1.26 -4.99 119.66 114.54 1jba s GLN 164 Ca 0.00 0.23 -0.17 0.00 0.01 0.00 0.00 55.36 55.43 1jba s GLN 164 Cb 0.00 -0.57 0.16 0.00 -1.01 0.00 0.00 33.01 31.59 1jba s GLN 164 CO 0.00 -0.83 0.90 -1.17 0.01 0.00 0.00 175.29 174.20 1jba s LEU 165 N 2.47 5.81 0.00 2.90 2.96 -1.05 -4.93 118.68 126.85 1jba s LEU 165 Ca 0.10 -2.19 -0.09 0.00 -0.22 0.00 0.00 54.13 51.73 1jba s LEU 165 Cb -0.14 -2.30 0.19 0.00 0.50 0.00 0.00 46.19 44.43 1jba s LEU 165 CO -0.23 -0.87 1.19 -0.24 -1.32 0.00 0.00 176.35 174.88 1jba n SER 166 N 5.46 0.73 0.11 3.68 2.88 -1.26 -1.23 113.62 123.98 1jba n SER 166 Ca 0.14 -1.82 -0.13 0.00 -1.33 0.00 0.00 58.87 55.72 1jba n SER 166 Cb 0.47 -0.85 -0.08 0.00 -0.75 0.00 0.00 64.21 62.99 1jba n SER 166 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1jba h LEU 167 N 0.00 -0.23 -0.96 2.46 5.85 -1.96 -0.97 115.31 119.50 1jba h LEU 167 Ca -0.39 -0.16 0.27 0.00 0.84 0.00 0.00 57.88 58.44 1jba h LEU 167 Cb 1.23 0.06 -0.17 0.00 0.37 0.00 0.00 40.66 42.14 1jba h LEU 167 CO 0.34 0.04 0.09 0.78 -0.34 0.00 0.00 178.44 179.35 1jba h ASN 168 N -0.49 -0.35 0.09 1.25 2.35 -1.95 0.55 115.58 117.03 1jba h ASN 168 Ca -0.03 0.26 -0.25 0.00 -0.55 0.00 0.00 56.30 55.73 1jba h ASN 168 Cb 0.37 0.43 0.01 0.00 0.05 0.00 0.00 38.32 39.19 1jba h ASN 168 CO 0.04 -0.32 -0.99 -0.33 -1.65 0.00 0.00 177.43 174.18 1jba h GLU 169 N 0.04 0.63 0.33 0.81 5.08 -1.92 -2.65 114.58 116.90 1jba h GLU 169 Ca 0.60 -0.66 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1jba h GLU 169 Cb 1.26 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 1jba h GLU 169 CO -0.86 1.26 -0.50 0.35 -1.00 0.00 0.00 179.01 178.25 1jba h PHE 170 N 0.36 -1.42 -0.72 4.33 3.57 0.14 -1.83 116.94 121.37 1jba h PHE 170 Ca -0.11 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.43 1jba h PHE 170 Cb 1.64 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 40.91 1jba h PHE 170 CO 0.09 -0.62 0.47 -0.39 -2.23 0.00 0.00 178.31 175.62 1jba h VAL 171 N -0.87 1.14 -0.69 1.41 -1.51 -1.21 0.27 116.25 114.78 1jba h VAL 171 Ca -0.04 -0.32 0.20 0.00 -1.23 0.00 0.00 66.70 65.31 1jba h VAL 171 Cb 0.80 0.13 -0.03 0.00 -2.13 0.00 0.00 31.29 30.07 1jba h VAL 171 CO -0.16 0.17 0.60 -0.08 -1.23 0.00 0.00 177.57 176.87 1jba h GLU 172 N 0.93 0.00 0.00 5.19 4.81 -1.06 2.28 114.58 126.73 1jba h GLU 172 Ca 0.28 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.14 1jba h GLU 172 Cb -0.05 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 1jba h GLU 172 CO -0.08 0.00 -2.36 0.41 -0.73 0.00 0.00 179.01 176.25 1jba n GLY 173 N -1.62 -0.92 0.74 1.92 0.00 -0.35 -4.29 105.19 100.68 1jba n GLY 173 Ca 0.14 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.80 2.51 0.03 4.61 0.00 0.81 -4.01 120.51 121.65 1jba n ALA 174 Ca -0.34 -0.61 -0.03 0.00 0.00 0.00 0.00 53.44 52.47 1jba n ALA 174 Cb 1.13 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 19.50 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 3.43 0.00 -2.29 0.00 9.65 0.35 -3.43 114.38 122.09 1jba h ARG 175 Ca 0.00 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.39 1jba h ARG 175 Cb 0.73 0.00 -0.35 0.00 -1.39 0.00 0.00 29.97 28.96 1jba h ARG 175 CO 0.00 0.42 -0.78 0.50 2.80 0.00 0.00 179.97 182.91 1jba s ARG 176 N -2.82 0.60 0.07 0.20 3.00 -1.26 -5.08 118.95 113.66 1jba s ARG 176 Ca -0.02 -1.14 -0.28 0.00 -1.00 0.00 0.00 55.73 53.29 1jba s ARG 176 Cb 0.08 -1.04 0.09 0.00 0.00 0.00 0.00 34.95 34.09 1jba s ARG 176 CO 0.81 -1.21 1.14 0.34 0.00 0.00 0.00 175.30 176.38 1jba s ASP 177 N 1.20 -0.10 0.00 -2.12 2.15 -1.26 -4.94 116.67 111.60 1jba s ASP 177 Ca 0.18 -0.28 0.13 0.00 0.43 0.00 0.00 52.55 53.01 1jba s ASP 177 Cb -0.19 0.32 0.22 0.00 -0.30 0.00 0.00 42.92 42.97 1jba s ASP 177 CO -0.01 -0.59 1.08 2.29 -0.17 0.00 0.00 175.17 177.77 1jba n LYS 178 N -0.51 0.00 0.05 4.34 2.85 -1.26 -4.86 118.16 118.78 1jba n LYS 178 Ca -0.07 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 55.70 1jba n LYS 178 Cb 0.62 -0.21 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 1jba n TRP 179 N 0.26 -0.38 0.02 5.58 -0.00 -1.26 -4.73 117.44 116.93 1jba n TRP 179 Ca 0.02 0.07 0.20 0.00 -0.00 0.00 0.00 57.50 57.79 1jba n TRP 179 Cb 0.93 0.10 0.71 0.00 -0.00 0.00 0.00 31.31 33.05 1jba n TRP 179 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.69 177.45 1jba h VAL 180 N 0.00 0.68 0.08 5.87 3.04 -1.92 -2.65 116.25 121.34 1jba h VAL 180 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1jba h VAL 180 Cb 0.17 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.17 1jba h VAL 180 CO 0.00 0.00 -0.17 -0.03 -1.01 0.00 0.00 177.57 176.36 1jba h MET 181 N 0.00 -0.26 -0.83 4.17 -1.53 -1.89 1.32 114.93 115.91 1jba h MET 181 Ca 0.23 0.02 0.11 0.00 -3.44 0.00 0.00 59.70 56.63 1jba h MET 181 Cb 0.98 0.06 -0.08 0.00 -0.55 0.00 0.00 31.60 32.01 1jba h MET 181 CO -0.00 -0.17 0.46 0.87 0.14 0.00 0.00 176.91 178.20 1jba h LYS 182 N -0.27 0.70 0.83 0.39 1.57 -1.78 -1.54 116.57 116.46 1jba h LYS 182 Ca -0.01 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1jba h LYS 182 Cb 0.26 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1jba h LYS 182 CO -0.07 0.46 -0.40 1.98 -0.57 0.00 0.00 179.45 180.86 1jba h MET 183 N 0.72 -1.07 -0.45 3.15 4.05 -1.12 0.26 114.93 120.47 1jba h MET 183 Ca 0.42 0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.96 1jba h MET 183 Cb 0.47 0.24 -0.08 0.00 -0.80 0.00 0.00 31.60 31.44 1jba h MET 183 CO -0.29 -0.71 -0.50 1.25 0.23 0.00 0.00 176.91 176.89 1jba h LEU 184 N -1.22 -1.70 0.00 3.39 5.85 0.20 -3.22 115.31 118.61 1jba h LEU 184 Ca -0.11 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1jba h LEU 184 Cb 0.85 0.71 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1jba h LEU 184 CO 0.19 -0.33 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 1jba n GLN 185 N -5.05 0.00 0.00 1.25 6.02 -0.61 -4.98 117.38 114.01 1jba n GLN 185 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1jba n GLN 185 Cb 0.29 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.56 1jba n GLN 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jba n MET 186 N -0.49 0.00 0.00 -1.09 0.00 0.02 -4.96 117.12 110.60 1jba n MET 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jba n MET 186 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1jba n MET 186 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1jba n ASP 187 N -1.60 0.00 0.13 3.17 8.00 -0.84 -4.71 116.55 120.70 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jba n ASP 187 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1jba n LEU 188 N -0.09 -2.15 0.00 0.64 -0.00 -1.26 -4.82 117.00 109.32 1jba n LEU 188 Ca 0.00 0.49 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 1jba n LEU 188 Cb 0.00 2.21 0.00 0.00 -0.00 0.00 0.00 43.42 45.63 1jba n LEU 188 CO 0.00 -0.11 0.00 -3.20 -0.00 0.00 0.00 177.39 174.08 1jba n ASN 189 N -3.03 0.00 0.00 1.96 4.05 -1.26 -4.92 115.26 112.06 1jba n ASN 189 Ca 0.00 0.00 0.10 0.00 0.45 0.00 0.00 54.58 55.13 1jba n ASN 189 Cb 0.00 0.00 0.61 0.00 1.23 0.00 0.00 39.78 41.62 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40