#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jba s GLN 3 N 0.00 3.72 0.01 1.61 -0.44 -1.26 -4.97 119.66 118.33 1jba s GLN 3 Ca 0.00 -2.13 -0.10 0.00 -2.50 0.00 0.00 55.36 50.63 1jba s GLN 3 Cb 0.00 -4.82 0.01 0.00 -1.64 0.00 0.00 33.01 26.56 1jba s GLN 3 CO 0.00 -1.64 0.21 -0.65 0.50 0.00 0.00 175.29 173.71 1jba s GLN 4 N 1.74 0.62 0.00 1.67 -0.21 -1.26 -5.11 119.66 117.10 1jba s GLN 4 Ca 0.31 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1jba s GLN 4 Cb -0.06 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.21 1jba s GLN 4 CO -0.08 -0.17 0.00 1.97 -2.12 0.00 0.00 175.29 174.90 1jba n PHE 5 N 1.12 0.00 0.00 0.91 -1.74 -1.26 -5.03 117.46 111.46 1jba n PHE 5 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.68 1jba n PHE 5 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 1jba n PHE 5 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1jba n SER 6 N -0.68 0.00 -2.80 5.98 7.64 -1.26 -4.84 113.62 117.67 1jba n SER 6 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1jba n SER 6 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1jba n SER 6 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1jba n TRP 7 N -0.02 -3.16 0.12 1.43 7.02 -1.26 -4.94 117.44 116.62 1jba n TRP 7 Ca 0.00 -0.55 -0.05 0.00 -1.02 0.00 0.00 57.50 55.87 1jba n TRP 7 Cb 0.00 -0.21 -0.03 0.00 -2.42 0.00 0.00 31.31 28.65 1jba n TRP 7 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1jba h GLU 8 N 0.00 -0.34 -0.15 -0.99 5.08 -1.97 -2.55 114.58 113.66 1jba h GLU 8 Ca -0.10 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1jba h GLU 8 Cb 0.37 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1jba h GLU 8 CO 0.11 -0.23 -0.13 0.93 -1.00 0.00 0.00 179.01 178.70 1jba h GLU 9 N -0.70 -0.05 -0.92 2.33 4.39 -1.96 2.58 114.58 120.26 1jba h GLU 9 Ca -0.04 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.93 1jba h GLU 9 Cb 0.27 0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 28.77 1jba h GLU 9 CO 0.06 -0.03 0.18 0.00 -1.16 0.00 0.00 179.01 178.06 1jba h ALA 10 N -0.86 1.29 -0.27 3.43 0.00 -1.90 0.59 119.26 121.55 1jba h ALA 10 Ca 0.02 0.27 -0.17 0.00 0.00 0.00 0.00 54.91 55.03 1jba h ALA 10 Cb 0.11 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jba h ALA 10 CO -0.16 -0.54 -0.49 1.49 0.00 0.00 0.00 179.25 179.54 1jba h GLU 11 N 0.12 0.81 0.00 0.00 4.81 -0.24 -2.49 114.58 117.59 1jba h GLU 11 Ca 0.59 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1jba h GLU 11 Cb 1.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1jba h GLU 11 CO -0.75 1.14 0.00 -1.91 -0.73 0.00 0.00 179.01 176.76 1jba n GLU 12 N -4.09 0.02 -3.57 1.92 2.13 0.84 -3.31 120.64 114.58 1jba n GLU 12 Ca -0.05 0.26 -0.28 0.00 0.66 0.00 0.00 57.16 57.75 1jba n GLU 12 Cb 0.59 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.69 1jba n GLU 12 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1jba s ASN 13 N -2.54 2.71 -0.40 4.31 -0.87 -0.37 -5.03 114.94 112.76 1jba s ASN 13 Ca 0.01 -3.10 -0.42 0.00 -1.57 0.00 0.00 52.86 47.78 1jba s ASN 13 Cb 0.01 -0.80 -0.17 0.00 -0.02 0.00 0.00 41.25 40.27 1jba s ASN 13 CO 0.02 -0.18 1.85 0.61 -2.57 0.00 0.00 177.10 176.84 1jba n GLY 14 N 2.86 0.41 3.60 0.66 0.00 -1.21 -1.42 105.19 110.09 1jba n GLY 14 Ca 0.22 0.99 -0.21 0.00 0.00 0.00 0.00 46.02 47.02 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 6.11 -2.66 -0.61 4.61 0.00 -1.26 -4.87 120.51 121.83 1jba n ALA 15 Ca 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1jba n ALA 15 Cb 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1jba n ALA 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jba n VAL 16 N -2.95 0.00 0.00 0.00 0.31 -0.51 -4.93 118.33 110.25 1jba n VAL 16 Ca -0.17 1.20 0.00 0.00 -0.01 0.00 0.00 64.34 65.36 1jba n VAL 16 Cb 0.61 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1jba n VAL 16 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jba n GLY 17 N -0.97 0.52 0.09 2.92 0.00 -1.26 -5.07 105.19 101.42 1jba n GLY 17 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.52 0.00 4.61 0.00 -1.26 -4.95 120.51 119.43 1jba n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -1.00 0.00 0.00 -1.26 -4.82 120.51 113.43 1jba n ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 19 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 0.00 -0.32 0.00 9.92 -1.26 -2.28 116.55 122.61 1jba n ASP 20 Ca 0.00 0.00 0.19 0.00 -0.53 0.00 0.00 54.79 54.45 1jba n ASP 20 Cb 0.00 0.00 0.38 0.00 -0.64 0.00 0.00 41.12 40.86 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 1.56 -0.69 2.24 0.00 -1.99 0.64 119.26 119.02 1jba h ALA 21 Ca 0.00 0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1jba h ALA 21 Cb 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 1jba h ALA 21 CO 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 179.25 178.60 1jba h ALA 22 N 1.87 0.61 -0.65 0.00 0.00 -1.94 0.40 119.26 119.54 1jba h ALA 22 Ca 0.65 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.76 1jba h ALA 22 Cb 1.45 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1jba h ALA 22 CO -0.71 -0.42 0.28 1.96 0.00 0.00 0.00 179.25 180.36 1jba h GLN 23 N 0.06 0.96 -0.83 0.00 4.20 0.71 -2.31 115.11 117.90 1jba h GLN 23 Ca 0.35 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1jba h GLN 23 Cb 0.58 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1jba h GLN 23 CO -0.64 0.79 0.54 -0.07 -0.67 0.00 0.00 178.83 178.78 1jba h LEU 24 N 0.91 0.96 0.52 1.46 -0.00 0.10 0.16 115.31 119.41 1jba h LEU 24 Ca 0.22 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1jba h LEU 24 Cb 0.18 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.58 1jba h LEU 24 CO -0.02 0.70 -0.43 -0.61 -0.00 0.00 0.00 178.44 178.08 1jba h GLN 25 N 1.13 -0.89 -0.80 1.13 5.75 0.14 0.58 115.11 122.14 1jba h GLN 25 Ca 0.30 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 1jba h GLN 25 Cb -0.11 0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1jba h GLN 25 CO -0.06 -0.59 0.50 1.49 -2.65 0.00 0.00 178.83 177.52 1jba h GLU 26 N -0.93 1.07 0.00 1.69 4.81 -1.32 -0.67 114.58 119.25 1jba h GLU 26 Ca -0.07 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1jba h GLU 26 Cb 0.78 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1jba h GLU 26 CO -0.01 0.73 -0.17 2.35 -0.73 0.00 0.00 179.01 181.19 1jba h TRP 27 N 1.10 0.00 0.05 0.92 7.01 -0.22 0.11 115.95 124.91 1jba h TRP 27 Ca 0.29 0.00 -0.23 0.00 2.11 0.00 0.00 58.89 61.06 1jba h TRP 27 Cb -0.08 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1jba h TRP 27 CO 0.00 0.17 -1.03 -0.92 -2.79 0.00 0.00 178.44 173.87 1jba h TYR 28 N 0.00 0.45 -0.00 2.65 3.20 0.16 -2.78 116.97 120.65 1jba h TYR 28 Ca -0.00 -0.28 -0.07 0.00 3.14 0.00 0.00 58.73 61.52 1jba h TYR 28 Cb 0.33 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.57 1jba h TYR 28 CO 0.00 1.14 -0.28 0.87 -1.64 0.00 0.00 178.16 178.25 1jba h LYS 29 N 0.13 0.20 -0.36 1.82 1.79 -0.69 -2.76 116.57 116.71 1jba h LYS 29 Ca -0.08 -0.21 0.06 0.00 -2.18 0.00 0.00 60.65 58.23 1jba h LYS 29 Cb 1.70 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 32.36 1jba h LYS 29 CO 0.17 0.93 0.06 -0.22 -1.08 0.00 0.00 179.45 179.31 1jba h LYS 30 N -0.45 0.17 0.46 3.15 3.64 -0.90 -0.42 116.57 122.21 1jba h LYS 30 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1jba h LYS 30 Cb 1.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1jba h LYS 30 CO 0.06 0.11 -0.32 0.35 -2.27 0.00 0.00 179.45 177.37 1jba h PHE 31 N 0.17 -0.86 0.00 1.91 3.57 -1.57 -0.43 116.94 119.74 1jba h PHE 31 Ca 0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1jba h PHE 31 Cb 0.21 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1jba h PHE 31 CO -0.20 -0.48 0.00 1.28 -2.23 0.00 0.00 178.31 176.68 1jba n LEU 32 N -5.45 0.00 -0.04 0.59 4.77 -1.04 -1.43 117.00 114.40 1jba n LEU 32 Ca -0.11 0.47 -0.15 0.00 -0.03 0.00 0.00 56.01 56.19 1jba n LEU 32 Cb 0.35 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1jba n LEU 32 CO 0.32 -0.45 0.35 -0.08 -1.33 0.00 0.00 177.39 176.21 1jba h GLU 33 N 0.00 0.80 -0.74 3.23 4.81 0.66 -3.07 114.58 120.27 1jba h GLU 33 Ca 0.00 -0.58 -0.27 0.00 -0.13 0.00 0.00 59.36 58.38 1jba h GLU 33 Cb 0.02 0.10 -0.16 0.00 0.63 0.00 0.00 28.75 29.34 1jba h GLU 33 CO 0.00 1.20 0.31 -1.91 -0.73 0.00 0.00 179.01 177.88 1jba n GLU 34 N -3.96 3.18 -3.30 1.92 4.07 -0.51 -4.70 120.64 117.34 1jba n GLU 34 Ca -0.06 -3.07 -0.20 0.00 -0.06 0.00 0.00 57.16 53.77 1jba n GLU 34 Cb 0.69 -2.15 -0.08 0.00 -0.06 0.00 0.00 31.44 29.84 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jba n PRO 36 N 3.59 0.20 0.00 0.00 -0.02 -1.26 -1.04 135.00 136.47 1jba n PRO 36 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1jba n PRO 36 Cb 0.46 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1jba n PRO 36 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jba n SER 37 N 1.19 0.00 0.00 2.55 7.64 -1.26 -4.99 113.62 118.75 1jba n SER 37 Ca 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1jba n SER 37 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jba n GLY 38 N 0.00 0.15 3.19 0.23 0.00 -0.21 -4.91 105.19 103.63 1jba n GLY 38 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.35 0.15 0.06 2.61 -4.23 -1.26 -3.94 115.64 107.68 1jba s THR 39 Ca 0.00 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1jba s THR 39 Cb 0.00 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 1jba s THR 39 CO 0.00 -0.69 -0.08 -1.48 -0.54 0.00 0.00 174.62 171.83 1jba s LEU 40 N -2.90 2.34 0.30 4.79 0.05 -0.99 -4.91 118.68 117.35 1jba s LEU 40 Ca 0.08 -0.69 0.03 0.00 0.05 0.00 0.00 54.13 53.60 1jba s LEU 40 Cb 0.06 -0.19 -0.03 0.00 -2.05 0.00 0.00 46.19 43.98 1jba s LEU 40 CO -0.09 -0.26 0.45 -0.36 -0.55 0.00 0.00 176.35 175.55 1jba s PHE 41 N -2.03 3.46 0.39 3.48 0.40 -1.26 -1.47 117.98 120.95 1jba s PHE 41 Ca -0.02 0.14 0.24 0.00 -0.60 0.00 0.00 56.93 56.69 1jba s PHE 41 Cb -0.06 -1.75 1.35 0.00 0.51 0.00 0.00 43.02 43.08 1jba s PHE 41 CO -0.01 0.26 1.60 1.98 0.70 0.00 0.00 175.22 179.76 1jba h MET 42 N 0.96 0.07 0.35 0.44 1.85 -1.96 -0.80 114.93 115.83 1jba h MET 42 Ca -0.51 -0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 58.56 1jba h MET 42 Cb 1.23 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1jba h MET 42 CO 0.61 0.04 -0.19 1.25 -0.40 0.00 0.00 176.91 178.22 1jba h HIS 43 N 0.07 -0.50 0.00 1.39 6.17 -1.97 -1.83 115.15 118.48 1jba h HIS 43 Ca 0.83 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.90 1jba h HIS 43 Cb 2.33 0.17 0.00 0.00 2.52 0.00 0.00 27.41 32.43 1jba h HIS 43 CO -0.01 -0.29 0.36 0.39 0.71 0.00 0.00 177.93 179.09 1jba n GLU 44 N -3.44 0.05 -0.05 5.26 1.02 -0.34 -1.19 120.64 121.95 1jba n GLU 44 Ca -0.06 0.46 -0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1jba n GLU 44 Cb 0.20 -2.04 -0.05 0.00 -0.02 0.00 0.00 31.44 29.53 1jba n GLU 44 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1jba h PHE 45 N 0.00 -0.02 -0.42 -0.32 3.57 -0.94 -2.38 116.94 116.43 1jba h PHE 45 Ca 0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1jba h PHE 45 Cb 0.73 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1jba h PHE 45 CO 0.00 0.36 0.29 -0.22 -2.23 0.00 0.00 178.31 176.51 1jba h LYS 46 N -1.00 0.18 0.00 1.11 3.64 -0.85 -0.44 116.57 119.20 1jba h LYS 46 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jba h LYS 46 Cb 0.39 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1jba h LYS 46 CO 0.00 0.12 0.00 -2.13 -2.27 0.00 0.00 179.45 175.17 1jba n ARG 47 N -4.46 0.00 -0.28 1.90 0.63 -1.02 -1.53 116.66 111.91 1jba n ARG 47 Ca 0.06 0.19 0.03 0.00 -0.92 0.00 0.00 57.85 57.22 1jba n ARG 47 Cb 0.36 -0.80 0.12 0.00 0.45 0.00 0.00 32.46 32.59 1jba n ARG 47 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1jba h PHE 48 N 0.00 -0.36 0.00 -0.14 -1.00 -1.47 1.00 116.94 114.97 1jba h PHE 48 Ca 0.00 0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1jba h PHE 48 Cb 0.00 0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1jba h PHE 48 CO 0.02 -0.34 0.00 0.34 -1.61 0.00 0.00 178.31 176.72 1jba n PHE 49 N -5.50 0.00 -3.20 -0.55 7.35 -0.18 -4.14 117.46 111.24 1jba n PHE 49 Ca 0.12 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.46 1jba n PHE 49 Cb 0.43 -0.46 -0.03 0.00 0.35 0.00 0.00 39.48 39.77 1jba n PHE 49 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1jba n LYS 50 N -1.88 3.56 -0.63 -4.13 5.02 -0.58 -5.06 118.16 114.46 1jba n LYS 50 Ca 0.00 -4.62 -0.22 0.00 -2.02 0.00 0.00 58.31 51.46 1jba n LYS 50 Cb 0.00 -2.39 -0.01 0.00 -0.02 0.00 0.00 35.03 32.60 1jba n LYS 50 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1jba n VAL 51 N 1.08 0.84 -1.51 -0.18 3.14 0.34 -4.23 118.33 117.81 1jba n VAL 51 Ca 0.28 -0.21 -0.23 0.00 -2.96 0.00 0.00 64.34 61.22 1jba n VAL 51 Cb 0.37 0.00 -0.19 0.00 -1.06 0.00 0.00 33.84 32.96 1jba n VAL 51 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1jba n PRO 52 N 0.46 0.12 0.00 1.45 -0.02 -1.26 -4.42 135.00 131.32 1jba n PRO 52 Ca 0.08 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1jba n PRO 52 Cb 0.11 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1jba n PRO 52 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jba n ASP 53 N 8.46 0.07 0.00 2.55 -0.08 -1.26 -5.10 116.55 121.19 1jba n ASP 53 Ca 0.64 -0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1jba n ASP 53 Cb 0.19 0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1jba n ASP 53 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1jba n ASN 54 N -0.29 0.21 0.00 1.67 3.02 -1.26 -5.14 115.26 113.46 1jba n ASN 54 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1jba n ASN 54 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1jba n ASN 54 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1jba n GLU 55 N 0.00 0.00 -0.27 3.52 0.00 -1.26 -4.93 120.64 117.70 1jba n GLU 55 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 57.16 57.49 1jba n GLU 55 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 31.44 32.11 1jba n GLU 55 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1jba h GLU 56 N 0.00 0.00 -1.12 5.31 5.08 -2.01 0.28 114.58 122.12 1jba h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jba h GLU 56 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jba h GLU 56 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1jba n ALA 57 N -2.54 2.09 -0.14 3.43 0.00 -1.26 -3.19 120.51 118.90 1jba n ALA 57 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.43 1jba n ALA 57 Cb 1.34 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 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 0.51 1.51 -0.26 0.00 5.66 0.98 -4.17 114.28 118.51 1jba n THR 58 Ca 0.00 -0.47 0.07 0.00 -3.05 0.00 0.00 64.05 60.60 1jba n THR 58 Cb 0.27 -1.69 0.30 0.00 -1.55 0.00 0.00 70.33 67.67 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 -0.58 0.85 0.78 1.09 1.08 -1.78 -0.24 115.11 116.31 1jba h GLN 59 Ca -0.65 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 56.46 1jba h GLN 59 Cb 1.74 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.97 1jba h GLN 59 CO -0.29 0.56 -0.48 -0.92 -0.95 0.00 0.00 178.83 176.75 1jba h TYR 60 N 0.87 -1.28 -0.74 2.96 3.20 -1.77 -2.04 116.97 118.18 1jba h TYR 60 Ca 0.38 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.30 1jba h TYR 60 Cb 0.34 0.45 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 1jba h TYR 60 CO -0.00 -0.71 0.43 0.28 -1.64 0.00 0.00 178.16 176.51 1jba h VAL 61 N -1.18 0.99 -1.13 1.81 2.07 -1.65 0.26 116.25 117.43 1jba h VAL 61 Ca -0.10 -0.27 0.32 0.00 0.82 0.00 0.00 66.70 67.46 1jba h VAL 61 Cb 0.94 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1jba h VAL 61 CO 0.10 0.14 0.77 -0.08 0.02 0.00 0.00 177.57 178.53 1jba h GLU 62 N 0.79 0.18 -0.52 1.57 4.22 -0.74 1.24 114.58 121.32 1jba h GLU 62 Ca 0.33 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.70 1jba h GLU 62 Cb 0.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1jba h GLU 62 CO -0.18 0.12 0.10 0.00 -2.18 0.00 0.00 179.01 176.87 1jba h ALA 63 N 1.52 0.69 -0.50 2.92 0.00 0.24 -2.73 119.26 121.39 1jba h ALA 63 Ca 0.60 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.38 1jba h ALA 63 Cb 1.95 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.45 1jba h ALA 63 CO -0.17 0.41 -0.05 0.52 0.00 0.00 0.00 179.25 179.96 1jba h MET 64 N 0.73 0.06 -0.02 0.00 2.86 0.18 -0.95 114.93 117.79 1jba h MET 64 Ca 0.16 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1jba h MET 64 Cb 0.38 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1jba h MET 64 CO 0.01 0.04 -0.29 0.35 1.06 0.00 0.00 176.91 178.08 1jba h PHE 65 N 0.06 -0.80 0.00 -0.22 3.04 -1.18 0.30 116.94 118.14 1jba h PHE 65 Ca 0.25 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1jba h PHE 65 Cb 0.38 0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1jba h PHE 65 CO -0.36 -0.39 0.00 0.54 -2.02 0.00 0.00 178.31 176.08 1jba n ARG 66 N -5.40 0.00 -0.34 1.11 1.74 -0.64 0.27 116.66 113.41 1jba n ARG 66 Ca -0.05 0.57 0.26 0.00 -0.77 0.00 0.00 57.85 57.87 1jba n ARG 66 Cb 0.31 -1.48 0.56 0.00 -1.02 0.00 0.00 32.46 30.83 1jba n ARG 66 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jba h ALA 67 N -1.82 2.40 -0.50 7.54 0.00 -1.22 0.67 119.26 126.33 1jba h ALA 67 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jba h ALA 67 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jba h ALA 67 CO 0.00 -0.83 0.00 0.34 0.00 0.00 0.00 179.25 178.76 1jba n PHE 68 N -4.58 0.65 -3.66 0.00 7.35 0.10 -4.85 117.46 112.47 1jba n PHE 68 Ca 0.27 -0.32 -0.05 0.00 -0.76 0.00 0.00 57.45 56.58 1jba n PHE 68 Cb 0.99 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.75 1jba n PHE 68 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1jba s ASP 69 N -1.29 -0.67 0.00 -2.13 2.15 0.77 -4.95 116.67 110.55 1jba s ASP 69 Ca 0.41 1.26 0.00 0.00 0.43 0.00 0.00 52.55 54.65 1jba s ASP 69 Cb 0.23 1.75 0.00 0.00 -0.30 0.00 0.00 42.92 44.60 1jba s ASP 69 CO 0.31 -0.23 0.00 0.41 -0.17 0.00 0.00 175.17 175.49 1jba n THR 70 N 5.34 0.00 0.24 1.71 -1.04 -1.26 -4.11 114.28 115.17 1jba n THR 70 Ca -0.11 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.02 1jba n THR 70 Cb 0.50 0.70 0.62 0.00 -1.82 0.00 0.00 70.33 70.32 1jba n THR 70 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1jba h ASN 71 N 0.00 0.00 -3.48 8.00 -0.00 -1.94 -3.45 115.58 114.71 1jba h ASN 71 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1jba h ASN 71 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.62 1jba h ASN 71 CO 0.00 0.00 -0.07 0.61 -0.00 0.00 0.00 177.43 177.97 1jba n GLY 72 N -1.25 -0.71 0.00 9.14 0.00 -1.26 -5.01 105.19 106.10 1jba n GLY 72 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.70 0.00 -1.51 1.61 5.68 -1.26 -4.99 116.55 115.38 1jba n ASP 73 Ca 0.02 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.12 1jba n ASP 73 Cb 0.23 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.13 1jba n ASP 73 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1jba n ASN 74 N 0.00 -4.99 -4.16 -1.12 4.05 -1.26 -4.92 115.26 102.85 1jba n ASN 74 Ca 0.00 0.46 -0.13 0.00 0.45 0.00 0.00 54.58 55.35 1jba n ASN 74 Cb 0.00 -4.41 -0.11 0.00 1.23 0.00 0.00 39.78 36.49 1jba n ASN 74 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1jba s THR 75 N -2.56 0.84 -0.21 -0.44 -4.23 -1.26 -4.53 115.64 103.25 1jba s THR 75 Ca 0.00 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1jba s THR 75 Cb 0.00 -1.35 0.07 0.00 1.34 0.00 0.00 72.50 72.56 1jba s THR 75 CO 0.00 -0.61 0.08 -0.63 -0.54 0.00 0.00 174.62 172.92 1jba s ILE 76 N -2.59 0.14 0.71 2.99 -1.09 -0.54 -4.95 121.20 115.88 1jba s ILE 76 Ca 0.05 -0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.91 1jba s ILE 76 Cb -0.02 -0.84 0.02 0.00 -1.58 0.00 0.00 42.46 40.04 1jba s ILE 76 CO -0.01 -0.37 1.07 -0.62 -1.23 0.00 0.00 174.94 173.78 1jba s ASP 77 N 2.02 5.21 0.07 3.58 -1.08 -1.26 -2.35 116.67 122.86 1jba s ASP 77 Ca 0.03 1.62 -0.23 0.00 -0.52 0.00 0.00 52.55 53.44 1jba s ASP 77 Cb -0.16 -2.46 -0.10 0.00 -1.46 0.00 0.00 42.92 38.74 1jba s ASP 77 CO -0.15 -1.56 1.37 0.15 0.52 0.00 0.00 175.17 175.50 1jba h PHE 78 N -0.80 -1.03 -0.75 -5.34 3.57 -1.99 -1.52 116.94 109.09 1jba h PHE 78 Ca -0.44 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.19 1jba h PHE 78 Cb 1.22 0.44 -0.12 0.00 2.79 0.00 0.00 35.95 40.27 1jba h PHE 78 CO 0.60 -0.40 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.77 1jba h LEU 79 N -0.51 -1.56 -0.06 0.59 -0.00 -1.93 0.18 115.31 112.03 1jba h LEU 79 Ca -0.01 0.27 0.01 0.00 -0.00 0.00 0.00 57.88 58.16 1jba h LEU 79 Cb 0.51 0.73 -0.02 0.00 -0.00 0.00 0.00 40.66 41.88 1jba h LEU 79 CO -0.19 -0.31 -0.16 -0.08 -0.00 0.00 0.00 178.44 177.71 1jba h GLU 80 N -0.13 -0.15 -0.54 1.13 4.81 -1.85 0.98 114.58 118.83 1jba h GLU 80 Ca 0.22 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 1jba h GLU 80 Cb 0.55 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.87 1jba h GLU 80 CO -0.80 -0.10 -0.51 -0.92 -0.73 0.00 0.00 179.01 175.95 1jba h TYR 81 N -0.15 -1.54 -0.96 0.92 3.20 -0.45 0.43 116.97 118.42 1jba h TYR 81 Ca 0.01 0.09 0.15 0.00 3.14 0.00 0.00 58.73 62.12 1jba h TYR 81 Cb 0.19 0.75 -0.08 0.00 1.54 0.00 0.00 36.73 39.12 1jba h TYR 81 CO -0.52 -0.45 0.61 0.28 -1.64 0.00 0.00 178.16 176.44 1jba h VAL 82 N -0.29 0.82 -0.92 1.81 2.07 -0.18 0.14 116.25 119.71 1jba h VAL 82 Ca 0.13 -0.27 0.22 0.00 0.82 0.00 0.00 66.70 67.59 1jba h VAL 82 Cb 0.57 -0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 1jba h VAL 82 CO -0.67 0.15 0.45 0.00 0.02 0.00 0.00 177.57 177.52 1jba h ALA 83 N 1.59 1.52 -0.13 1.67 0.00 0.57 0.17 119.26 124.65 1jba h ALA 83 Ca 0.50 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 1jba h ALA 83 Cb 0.71 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jba h ALA 83 CO -0.27 -0.30 0.05 0.00 0.00 0.00 0.00 179.25 178.73 1jba h ALA 84 N 1.70 0.17 -0.08 0.00 0.00 -0.34 -2.79 119.26 117.92 1jba h ALA 84 Ca 0.57 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1jba h ALA 84 Cb 1.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1jba h ALA 84 CO -0.50 -0.24 -0.12 -0.07 0.00 0.00 0.00 179.25 178.32 1jba h LEU 85 N 0.04 -0.40 -0.99 0.00 3.38 -0.47 0.17 115.31 117.05 1jba h LEU 85 Ca 0.04 0.05 0.33 0.00 0.09 0.00 0.00 57.88 58.40 1jba h LEU 85 Cb 0.19 0.16 -0.18 0.00 0.09 0.00 0.00 40.66 40.92 1jba h LEU 85 CO -0.00 -0.09 0.28 -1.13 0.09 0.00 0.00 178.44 177.59 1jba h ASN 86 N -0.09 -0.07 -0.16 -0.43 -0.73 -1.45 2.61 115.58 115.25 1jba h ASN 86 Ca 0.01 0.26 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 1jba h ASN 86 Cb 0.13 0.37 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1jba h ASN 86 CO -0.13 -0.37 0.09 0.25 -0.37 0.00 0.00 177.43 176.91 1jba h LEU 87 N 0.03 0.20 0.00 0.34 7.12 -0.51 -0.12 115.31 122.37 1jba h LEU 87 Ca 0.71 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.66 1jba h LEU 87 Cb 1.68 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.76 1jba h LEU 87 CO -0.83 0.20 -0.39 0.52 -0.13 0.00 0.00 178.44 177.81 1jba n VAL 88 N -4.94 0.64 0.00 1.05 0.31 0.24 -3.48 118.33 112.15 1jba n VAL 88 Ca -0.04 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1jba n VAL 88 Cb 0.06 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.12 1jba n VAL 88 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1jba n LEU 89 N -3.33 0.00 -0.32 7.52 7.94 0.81 -1.48 117.00 128.14 1jba n LEU 89 Ca -0.05 0.55 -0.04 0.00 -1.11 0.00 0.00 56.01 55.36 1jba n LEU 89 Cb 0.20 -0.09 0.08 0.00 0.53 0.00 0.00 43.42 44.15 1jba n LEU 89 CO 0.08 -0.09 1.21 0.03 -1.11 0.00 0.00 177.39 177.52 1jba h ARG 90 N 0.00 1.17 0.00 1.96 3.08 -1.54 -3.45 114.38 115.61 1jba h ARG 90 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1jba h ARG 90 Cb 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.80 1jba h ARG 90 CO 0.00 0.81 0.00 0.41 -1.07 0.00 0.00 179.97 180.12 1jba n GLY 91 N -1.26 0.67 4.18 0.04 0.00 -0.06 -4.84 105.19 103.93 1jba n GLY 91 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1jba n GLY 91 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1jba n THR 92 N 0.00 0.00 -0.75 2.61 5.66 -1.26 -4.43 114.28 116.10 1jba n THR 92 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1jba n THR 92 Cb 0.00 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.92 1jba n THR 92 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1jba n LEU 93 N 0.00 -1.98 -0.11 1.09 4.77 -1.26 -4.87 117.00 114.65 1jba n LEU 93 Ca 0.00 0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.14 1jba n LEU 93 Cb 0.00 -0.98 0.39 0.00 -2.33 0.00 0.00 43.42 40.51 1jba n LEU 93 CO 0.00 -3.36 0.65 -0.62 -1.33 0.00 0.00 177.39 172.73 1jba n GLU 94 N -1.32 0.42 0.24 3.23 4.71 -1.26 -4.22 120.64 122.44 1jba n GLU 94 Ca 0.02 -0.22 0.03 0.00 -0.01 0.00 0.00 57.16 56.99 1jba n GLU 94 Cb 0.61 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.59 1jba n GLU 94 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1jba n HIS 95 N -1.10 0.00 -0.52 -0.32 -0.00 -1.26 -1.22 115.22 110.79 1jba n HIS 95 Ca 0.10 0.00 0.44 0.00 0.46 0.00 0.00 57.72 58.72 1jba n HIS 95 Cb 0.33 -0.03 0.72 0.00 -0.12 0.00 0.00 29.99 30.89 1jba n HIS 95 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 1jba h LYS 96 N 0.00 0.00 0.85 1.57 3.64 -1.84 0.21 116.57 121.00 1jba h LYS 96 Ca 0.06 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1jba h LYS 96 Cb 1.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1jba h LYS 96 CO -0.00 0.00 -0.49 1.25 -2.27 0.00 0.00 179.45 177.94 1jba h LEU 97 N 0.00 -1.21 -0.92 5.20 7.12 -1.55 0.78 115.31 124.73 1jba h LEU 97 Ca 0.77 0.06 0.17 0.00 0.13 0.00 0.00 57.88 59.01 1jba h LEU 97 Cb 3.33 0.34 -0.10 0.00 -0.53 0.00 0.00 40.66 43.71 1jba h LEU 97 CO -0.01 -0.77 0.51 0.50 -0.13 0.00 0.00 178.44 178.54 1jba h LYS 98 N -1.25 0.67 -0.39 1.25 1.63 -0.85 0.23 116.57 117.87 1jba h LYS 98 Ca -0.12 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.54 1jba h LYS 98 Cb 0.99 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.45 1jba h LYS 98 CO 0.14 0.44 -0.19 2.35 -3.45 0.00 0.00 179.45 178.74 1jba h TRP 99 N 0.69 0.83 -0.03 1.91 7.01 -1.20 -1.32 115.95 123.84 1jba h TRP 99 Ca 0.52 -0.18 -0.00 0.00 2.11 0.00 0.00 58.89 61.34 1jba h TRP 99 Cb 0.76 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1jba h TRP 99 CO -0.06 0.87 0.01 1.15 -2.79 0.00 0.00 178.44 177.62 1jba h THR 100 N 0.66 1.18 0.00 2.65 2.02 0.37 -2.44 112.91 117.34 1jba h THR 100 Ca 0.10 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1jba h THR 100 Cb 0.68 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1jba h THR 100 CO 0.05 0.14 -0.16 0.15 0.37 0.00 0.00 175.52 176.07 1jba h PHE 101 N -0.16 0.00 -0.70 3.16 3.04 -0.90 -2.24 116.94 119.14 1jba h PHE 101 Ca 0.01 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1jba h PHE 101 Cb 0.22 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 1jba h PHE 101 CO -0.00 0.16 0.36 -0.22 -2.02 0.00 0.00 178.31 176.58 1jba h LYS 102 N 0.00 0.99 0.07 1.11 3.64 -0.78 -1.03 116.57 120.58 1jba h LYS 102 Ca -0.00 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1jba h LYS 102 Cb 0.30 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1jba h LYS 102 CO 0.02 0.76 -0.04 0.82 -2.27 0.00 0.00 179.45 178.75 1jba h ILE 103 N 0.96 1.10 -0.39 2.00 1.08 -1.06 -2.78 117.51 118.42 1jba h ILE 103 Ca 0.24 -0.61 0.08 0.00 -0.39 0.00 0.00 64.86 64.19 1jba h ILE 103 Cb 0.08 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1jba h ILE 103 CO -0.03 0.15 0.27 1.88 -0.69 0.00 0.00 178.15 179.73 1jba h TYR 104 N -0.37 0.15 -1.55 1.37 0.05 -1.35 -3.09 116.97 112.19 1jba h TYR 104 Ca -0.01 0.00 -0.76 0.00 0.05 0.00 0.00 58.73 58.01 1jba h TYR 104 Cb 0.32 -0.05 -0.17 0.00 1.01 0.00 0.00 36.73 37.84 1jba h TYR 104 CO 0.02 0.08 1.90 -3.47 -1.05 0.00 0.00 178.16 175.64 1jba n ASP 105 N -4.46 5.43 -0.22 3.88 -0.08 -0.40 -4.70 116.55 116.00 1jba n ASP 105 Ca 0.06 -3.15 -0.10 0.00 -1.51 0.00 0.00 54.79 50.08 1jba n ASP 105 Cb 0.36 -1.44 -0.08 0.00 2.34 0.00 0.00 41.12 42.29 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 5.62 -0.16 -0.10 -0.67 3.64 -1.69 1.57 116.57 124.77 1jba h LYS 106 Ca 0.39 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1jba h LYS 106 Cb 0.60 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1jba h LYS 106 CO 1.58 -0.11 0.00 -0.40 -2.27 0.00 0.00 179.45 178.26 1jba n ASP 107 N -4.85 0.10 -3.54 4.20 5.75 -1.26 -4.82 116.55 112.13 1jba n ASP 107 Ca -0.01 -1.18 -0.24 0.00 -0.01 0.00 0.00 54.79 53.35 1jba n ASP 107 Cb 0.25 -0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 1jba n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1jba n ARG 108 N -0.38 -0.88 0.09 0.11 1.85 0.54 -4.75 116.66 113.24 1jba n ARG 108 Ca 0.00 0.08 -0.19 0.00 -1.00 0.00 0.00 57.85 56.74 1jba n ARG 108 Cb 0.03 -2.71 -0.15 0.00 -1.05 0.00 0.00 32.46 28.58 1jba n ARG 108 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 1jba h ASN 109 N -0.65 0.50 0.00 2.89 -1.07 -1.88 -3.48 115.58 111.90 1jba h ASN 109 Ca -0.40 -0.63 0.00 0.00 0.07 0.00 0.00 56.30 55.34 1jba h ASN 109 Cb 0.89 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.98 1jba h ASN 109 CO 0.52 1.51 0.00 0.61 0.07 0.00 0.00 177.43 180.15 1jba n GLY 110 N 1.66 0.37 3.21 9.14 0.00 -1.26 -5.12 105.19 113.18 1jba n GLY 110 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.87 4.71 0.07 0.00 1.01 -0.78 -4.84 121.20 122.25 1jba s ILE 112 Ca -0.06 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 1jba s ILE 112 Cb -0.06 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1jba s ILE 112 CO -0.06 -0.31 -0.03 -0.62 0.00 0.00 0.00 174.94 173.92 1jba s ASP 113 N -4.08 0.64 0.49 3.58 -1.08 -1.26 -2.54 116.67 112.42 1jba s ASP 113 Ca 0.40 -1.02 0.26 0.00 -0.52 0.00 0.00 52.55 51.68 1jba s ASP 113 Cb -0.09 0.18 1.33 0.00 -1.46 0.00 0.00 42.92 42.88 1jba s ASP 113 CO 0.32 -0.58 1.87 0.03 0.52 0.00 0.00 175.17 177.33 1jba h ARG 114 N 3.09 0.15 -0.02 4.34 3.08 -1.98 0.28 114.38 123.31 1jba h ARG 114 Ca -0.34 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.49 1jba h ARG 114 Cb 1.15 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 1jba h ARG 114 CO 0.65 0.10 -0.88 0.37 -1.07 0.00 0.00 179.97 179.14 1jba h GLN 115 N 0.15 0.40 -0.51 0.04 4.15 -1.99 -2.05 115.11 115.30 1jba h GLN 115 Ca 0.46 -0.40 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 1jba h GLN 115 Cb 1.54 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.32 1jba h GLN 115 CO -0.08 1.06 -0.04 0.93 -1.93 0.00 0.00 178.83 178.77 1jba h GLU 116 N 0.24 0.92 0.20 1.69 5.08 -0.83 -2.63 114.58 119.25 1jba h GLU 116 Ca -0.06 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1jba h GLU 116 Cb 1.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1jba h GLU 116 CO 0.15 0.97 -0.09 1.25 -1.00 0.00 0.00 179.01 180.28 1jba h LEU 117 N 0.78 -0.22 -1.07 1.33 6.46 -1.28 -2.56 115.31 118.75 1jba h LEU 117 Ca 0.14 -0.31 0.35 0.00 -0.12 0.00 0.00 57.88 57.93 1jba h LEU 117 Cb 0.58 0.06 -0.15 0.00 -0.73 0.00 0.00 40.66 40.42 1jba h LEU 117 CO 0.03 0.28 0.61 0.25 -0.62 0.00 0.00 178.44 179.00 1jba h LEU 118 N -0.83 0.46 -0.51 2.25 7.12 -1.42 2.62 115.31 124.99 1jba h LEU 118 Ca -0.03 0.19 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 1jba h LEU 118 Cb 0.52 0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.77 1jba h LEU 118 CO 0.04 -0.17 0.27 -0.78 -0.13 0.00 0.00 178.44 177.68 1jba h ASP 119 N 0.26 0.65 -0.07 1.25 3.58 -1.36 2.00 116.42 122.73 1jba h ASP 119 Ca 0.75 -0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.99 1jba h ASP 119 Cb 1.85 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 42.74 1jba h ASP 119 CO -0.58 0.57 -0.40 0.40 -2.88 0.00 0.00 179.24 176.35 1jba h ILE 120 N 0.68 1.41 0.10 2.25 1.08 0.42 -2.86 117.51 120.59 1jba h ILE 120 Ca 0.18 -1.79 -0.00 0.00 -0.39 0.00 0.00 64.86 62.85 1jba h ILE 120 Cb 0.07 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 1jba h ILE 120 CO -0.03 0.52 -0.05 0.58 -0.69 0.00 0.00 178.15 178.49 1jba h VAL 121 N -0.08 1.09 -0.98 1.67 2.07 0.25 -1.56 116.25 118.72 1jba h VAL 121 Ca -0.03 -0.75 0.29 0.00 0.82 0.00 0.00 66.70 67.03 1jba h VAL 121 Cb 1.05 1.56 -0.14 0.00 -1.52 0.00 0.00 31.29 32.24 1jba h VAL 121 CO 0.08 0.18 0.50 -0.08 0.02 0.00 0.00 177.57 178.28 1jba h GLU 122 N -0.48 0.34 -0.16 1.57 4.57 0.31 0.30 114.58 121.02 1jba h GLU 122 Ca -0.01 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1jba h GLU 122 Cb 0.40 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1jba h GLU 122 CO 0.02 0.22 -0.08 1.03 -1.18 0.00 0.00 179.01 179.02 1jba h SER 123 N 0.35 0.36 -0.81 1.04 0.87 -1.26 -2.32 113.55 111.77 1jba h SER 123 Ca 0.68 -0.41 0.15 0.00 -1.23 0.00 0.00 61.79 60.98 1jba h SER 123 Cb 1.47 -0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 63.24 1jba h SER 123 CO -0.59 0.69 0.37 0.40 -0.53 0.00 0.00 176.83 177.17 1jba h ILE 124 N 0.02 0.67 -0.41 2.23 5.03 0.56 0.76 117.51 126.36 1jba h ILE 124 Ca 0.04 -0.18 -0.09 0.00 -0.12 0.00 0.00 64.86 64.51 1jba h ILE 124 Cb 0.56 0.11 -0.02 0.00 -3.03 0.00 0.00 36.82 34.44 1jba h ILE 124 CO 0.02 0.09 -0.11 1.88 -0.68 0.00 0.00 178.15 179.36 1jba h TYR 125 N 0.52 0.81 -0.13 1.37 0.05 -1.08 0.10 116.97 118.61 1jba h TYR 125 Ca 0.45 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1jba h TYR 125 Cb 0.68 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 1jba h TYR 125 CO -0.13 0.82 0.09 0.87 -1.05 0.00 0.00 178.16 178.76 1jba h LYS 126 N 0.67 0.17 0.00 4.88 1.57 -0.29 -2.70 116.57 120.87 1jba h LYS 126 Ca 0.11 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.64 1jba h LYS 126 Cb 0.58 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1jba h LYS 126 CO 0.04 0.11 -1.47 -0.11 -0.57 0.00 0.00 179.45 177.45 1jba n LEU 127 N -4.52 1.88 -0.44 2.94 -0.00 -0.92 -4.25 117.00 111.70 1jba n LEU 127 Ca -0.01 0.43 0.37 0.00 -0.00 0.00 0.00 56.01 56.79 1jba n LEU 127 Cb 0.08 -0.90 0.64 0.00 -0.00 0.00 0.00 43.42 43.25 1jba n LEU 127 CO 0.34 0.22 1.21 0.50 -0.00 0.00 0.00 177.39 179.66 1jba h LYS 128 N -1.00 0.06 -0.76 1.96 3.64 -0.80 1.55 116.57 121.23 1jba h LYS 128 Ca -0.37 -0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.22 1jba h LYS 128 Cb 1.26 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1jba h LYS 128 CO -0.23 0.04 0.55 1.57 -2.27 0.00 0.00 179.45 179.12 1jba h LYS 129 N 0.07 0.00 0.00 1.90 2.10 -1.66 -2.34 116.57 116.64 1jba h LYS 129 Ca 0.84 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 59.36 1jba h LYS 129 Cb 2.58 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.89 1jba h LYS 129 CO -0.48 0.00 -0.76 0.00 -2.00 0.00 0.00 179.45 176.22 1jba h ALA 130 N 1.61 0.15 -1.35 0.07 0.00 0.20 -3.47 119.26 116.47 1jba h ALA 130 Ca 0.36 -0.86 -0.65 0.00 0.00 0.00 0.00 54.91 53.76 1jba h ALA 130 Cb 1.46 0.47 0.12 0.00 0.00 0.00 0.00 17.79 19.84 1jba h ALA 130 CO -0.00 0.45 -0.39 0.00 0.00 0.00 0.00 179.25 179.31 1jba n SER 132 N 1.78 2.58 -3.71 0.00 2.88 -1.26 -4.41 113.62 111.48 1jba n SER 132 Ca 0.15 -1.55 -0.29 0.00 -1.33 0.00 0.00 58.87 55.84 1jba n SER 132 Cb 0.29 -0.51 -0.13 0.00 -0.75 0.00 0.00 64.21 63.11 1jba n SER 132 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1jba s VAL 133 N 0.60 1.46 -0.66 2.46 1.01 -1.26 -5.01 120.40 118.99 1jba s VAL 133 Ca 0.00 -2.69 0.06 0.00 0.00 0.00 0.00 61.98 59.34 1jba s VAL 133 Cb 0.00 -2.01 0.22 0.00 0.00 0.00 0.00 36.38 34.59 1jba s VAL 133 CO 0.00 -0.92 0.65 -1.84 0.00 0.00 0.00 175.10 172.99 1jba n GLU 134 N 3.38 2.25 -3.32 2.72 -0.00 -1.26 -4.91 120.64 119.50 1jba n GLU 134 Ca 0.11 -4.59 -0.25 0.00 -0.00 0.00 0.00 57.16 52.42 1jba n GLU 134 Cb 0.35 -2.26 -0.08 0.00 -0.00 0.00 0.00 31.44 29.45 1jba n GLU 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1jba n VAL 135 N 1.27 -0.21 -1.98 3.84 0.31 -1.26 -4.83 118.33 115.48 1jba n VAL 135 Ca 0.26 -4.11 0.00 0.00 -0.01 0.00 0.00 64.34 60.48 1jba n VAL 135 Cb 0.39 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1jba n VAL 135 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1jba n GLU 136 N 1.70 0.00 0.01 5.55 -0.00 -1.26 -4.92 120.64 121.72 1jba n GLU 136 Ca 0.24 -0.69 -0.09 0.00 -0.00 0.00 0.00 57.16 56.62 1jba n GLU 136 Cb 0.49 -0.35 -0.07 0.00 -0.00 0.00 0.00 31.44 31.51 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jba h ALA 137 N 0.00 -0.13 -0.23 -1.84 0.00 -1.83 -3.45 119.26 111.78 1jba h ALA 137 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jba h ALA 137 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jba h ALA 137 CO 0.00 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.46 1jba n GLU 138 N -4.83 0.00 0.00 0.00 1.02 -1.26 -2.25 120.64 113.32 1jba n GLU 138 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1jba n GLU 138 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 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 0.00 -1.58 3.49 0.00 -1.26 -4.75 117.38 113.28 1jba n GLN 139 Ca 0.00 0.03 -0.45 0.00 -0.00 0.00 0.00 57.00 56.58 1jba n GLN 139 Cb 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 30.24 29.41 1jba n GLN 139 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1jba n GLN 140 N -0.58 1.25 0.00 3.69 -0.06 -0.95 -4.91 117.38 115.83 1jba n GLN 140 Ca 0.00 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.44 1jba n GLN 140 Cb 0.00 -1.79 0.00 0.00 -4.06 0.00 0.00 30.24 24.39 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1jba n GLY 141 N 1.32 -2.78 0.00 1.69 0.00 -1.26 -4.67 105.19 99.49 1jba n GLY 141 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.38 0.39 0.00 1.61 5.02 -1.26 -4.80 118.16 117.73 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 7.99 -1.26 -4.57 117.00 118.81 1jba n LEU 143 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 1jba n LEU 143 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 1jba n LEU 143 CO 0.00 -0.38 0.00 -0.11 -1.51 0.00 0.00 177.39 175.40 1jba n LEU 144 N 0.00 0.00 0.00 2.23 7.94 -1.26 -4.88 117.00 121.03 1jba n LEU 144 Ca 0.00 -0.34 0.00 0.00 -1.11 0.00 0.00 56.01 54.56 1jba n LEU 144 Cb 0.00 0.23 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1jba n LEU 144 CO 0.00 -0.07 0.00 0.41 -1.11 0.00 0.00 177.39 176.62 1jba n THR 145 N -0.07 0.00 -1.20 1.96 -1.04 -1.26 -5.02 114.28 107.65 1jba n THR 145 Ca 0.00 0.00 -0.47 0.00 -2.04 0.00 0.00 64.05 61.55 1jba n THR 145 Cb 0.07 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.51 1jba n THR 145 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1jba n PRO 146 N 0.00 0.00 0.03 -2.82 -0.02 -1.26 -4.36 135.00 126.57 1jba n PRO 146 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1jba n PRO 146 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1jba n PRO 146 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1jba n GLU 147 N 2.45 0.00 -0.70 -0.52 0.28 -1.26 -2.12 120.64 118.78 1jba n GLU 147 Ca 0.20 0.09 0.53 0.00 -0.16 0.00 0.00 57.16 57.82 1jba n GLU 147 Cb -0.02 -0.69 0.82 0.00 1.43 0.00 0.00 31.44 32.97 1jba n GLU 147 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1jba h GLU 148 N 0.00 0.00 -0.16 3.44 4.57 -2.00 2.40 114.58 122.83 1jba h GLU 148 Ca 0.00 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1jba h GLU 148 Cb 0.42 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1jba h GLU 148 CO 0.00 0.00 -0.36 -0.39 -1.18 0.00 0.00 179.01 177.08 1jba h VAL 149 N 0.00 1.35 -0.24 0.32 -1.51 -1.67 -2.19 116.25 112.31 1jba h VAL 149 Ca 0.94 -1.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.79 1jba h VAL 149 Cb 3.73 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 34.86 1jba h VAL 149 CO -0.05 0.49 0.11 0.58 -1.23 0.00 0.00 177.57 177.47 1jba h VAL 150 N 0.15 1.09 0.00 7.19 2.07 0.37 0.82 116.25 127.95 1jba h VAL 150 Ca 0.00 -0.28 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 1jba h VAL 150 Cb 0.96 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1jba h VAL 150 CO 0.08 0.11 -0.75 0.44 0.02 0.00 0.00 177.57 177.46 1jba h ASP 151 N 0.33 0.00 1.55 0.57 5.19 -0.99 -2.82 116.42 120.24 1jba h ASP 151 Ca 0.09 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 1jba h ASP 151 Cb 0.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1jba h ASP 151 CO -0.01 0.75 -0.46 -0.09 -3.12 0.00 0.00 179.24 176.31 1jba h ARG 152 N 0.00 0.00 0.01 3.56 9.65 -0.55 -2.87 114.38 124.19 1jba h ARG 152 Ca -0.01 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.65 1jba h ARG 152 Cb 1.36 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.94 1jba h ARG 152 CO 0.10 0.26 -0.95 0.82 2.80 0.00 0.00 179.97 183.00 1jba h ILE 153 N 0.00 1.43 -0.04 1.20 2.04 -0.81 -2.29 117.51 119.04 1jba h ILE 153 Ca -0.02 -2.54 -0.09 0.00 1.00 0.00 0.00 64.86 63.21 1jba h ILE 153 Cb 1.24 2.48 0.01 0.00 -0.74 0.00 0.00 36.82 39.80 1jba h ILE 153 CO 0.04 0.75 -0.32 -0.26 0.00 0.00 0.00 178.15 178.36 1jba h PHE 154 N 0.19 0.39 0.00 1.37 -1.00 -1.54 -2.85 116.94 113.49 1jba h PHE 154 Ca -0.08 -0.19 -0.05 0.00 2.81 0.00 0.00 57.97 60.47 1jba h PHE 154 Cb 1.60 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 41.10 1jba h PHE 154 CO 0.05 0.95 -0.22 1.25 -1.61 0.00 0.00 178.31 178.73 1jba h LEU 155 N -0.28 0.00 0.16 1.54 6.46 -1.59 0.68 115.31 122.29 1jba h LEU 155 Ca -0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1jba h LEU 155 Cb 1.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1jba h LEU 155 CO 0.07 0.22 -0.08 -0.07 -0.62 0.00 0.00 178.44 177.96 1jba h LEU 156 N 0.00 -0.18 0.00 2.25 3.38 -1.40 -3.37 115.31 115.99 1jba h LEU 156 Ca -0.00 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1jba h LEU 156 Cb 0.42 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1jba h LEU 156 CO 0.03 0.25 -0.23 0.58 0.09 0.00 0.00 178.44 179.16 1jba h VAL 157 N -0.67 1.64 -3.81 1.22 2.07 -1.40 -3.48 116.25 111.83 1jba h VAL 157 Ca -0.02 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1jba h VAL 157 Cb 0.49 3.20 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1jba h VAL 157 CO 0.04 0.56 0.00 0.47 0.02 0.00 0.00 177.57 178.66 1jba n ASP 158 N -4.57 0.06 0.00 0.57 9.92 0.24 -4.83 116.55 117.94 1jba n ASP 158 Ca -0.14 -0.81 0.00 0.00 -0.53 0.00 0.00 54.79 53.31 1jba n ASP 158 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1jba n ASP 158 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1jba n GLU 159 N -0.79 0.00 0.17 -1.24 2.13 -1.26 -4.24 120.64 115.41 1jba n GLU 159 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1jba n GLU 159 Cb 0.00 0.00 0.09 0.00 0.27 0.00 0.00 31.44 31.80 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 -1.07 4.31 7.08 -1.96 -3.47 115.58 120.47 1jba h ASN 160 Ca 0.00 0.00 -0.43 0.00 -3.08 0.00 0.00 56.30 52.79 1jba h ASN 160 Cb 0.00 0.00 -0.16 0.00 -2.08 0.00 0.00 38.32 36.08 1jba h ASN 160 CO 0.00 0.03 -0.39 0.61 -2.08 0.00 0.00 177.43 175.60 1jba n GLY 161 N 1.14 1.91 0.00 9.14 0.00 -1.26 -4.74 105.19 111.38 1jba n GLY 161 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.41 0.00 -0.18 1.61 5.68 -1.26 -4.64 116.55 116.35 1jba n ASP 162 Ca -0.21 0.10 -0.02 0.00 -0.50 0.00 0.00 54.79 54.15 1jba n ASP 162 Cb 0.69 -0.10 -0.01 0.00 -1.14 0.00 0.00 41.12 40.56 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jba n GLY 163 N -0.97 0.58 3.25 6.12 0.00 -1.26 -5.01 105.19 107.90 1jba n GLY 163 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.84 0.38 -0.44 1.61 -2.07 -1.26 -4.83 119.66 111.22 1jba s GLN 164 Ca 0.00 0.75 0.02 0.00 -1.82 0.00 0.00 55.36 54.32 1jba s GLN 164 Cb 0.00 -0.02 0.13 0.00 -1.09 0.00 0.00 33.01 32.03 1jba s GLN 164 CO 0.00 -0.15 0.21 -1.17 -1.32 0.00 0.00 175.29 172.86 1jba s LEU 165 N 1.33 3.20 0.89 2.60 2.96 -1.05 -4.91 118.68 123.69 1jba s LEU 165 Ca -0.09 -2.58 -0.13 0.00 -0.22 0.00 0.00 54.13 51.11 1jba s LEU 165 Cb -0.08 -1.21 0.13 0.00 0.50 0.00 0.00 46.19 45.53 1jba s LEU 165 CO -0.12 -0.28 1.21 -0.55 -1.32 0.00 0.00 176.35 175.29 1jba s SER 166 N 0.37 3.79 0.27 3.68 0.15 -1.26 -1.86 113.70 118.83 1jba s SER 166 Ca 0.16 0.66 -0.02 0.00 0.70 0.00 0.00 55.95 57.46 1jba s SER 166 Cb -0.24 -1.03 0.45 0.00 -1.71 0.00 0.00 66.02 63.48 1jba s SER 166 CO -0.03 -2.35 1.86 0.25 1.20 0.00 0.00 173.24 174.17 1jba h LEU 167 N -1.37 0.97 -0.62 3.45 5.85 -1.98 -1.38 115.31 120.22 1jba h LEU 167 Ca -0.46 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.37 1jba h LEU 167 Cb 1.30 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.05 1jba h LEU 167 CO 0.56 0.58 -0.46 -1.13 -0.34 0.00 0.00 178.44 177.65 1jba h ASN 168 N 1.08 -1.59 -0.38 1.25 -0.73 -1.92 -0.36 115.58 112.94 1jba h ASN 168 Ca 0.45 0.26 -0.12 0.00 1.87 0.00 0.00 56.30 58.75 1jba h ASN 168 Cb 0.28 0.72 -0.01 0.00 0.27 0.00 0.00 38.32 39.58 1jba h ASN 168 CO -0.21 -0.33 -0.25 -0.33 -0.37 0.00 0.00 177.43 175.94 1jba h GLU 169 N -0.21 0.84 0.00 6.67 5.08 -1.81 -2.67 114.58 122.48 1jba h GLU 169 Ca 0.18 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1jba h GLU 169 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jba h GLU 169 CO -0.72 1.03 0.00 0.34 -1.00 0.00 0.00 179.01 178.66 1jba n PHE 170 N -4.20 0.00 -0.17 4.33 7.35 -0.30 -1.21 117.46 123.26 1jba n PHE 170 Ca -0.02 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.65 1jba n PHE 170 Cb 0.46 -0.32 0.04 0.00 0.35 0.00 0.00 39.48 40.02 1jba n PHE 170 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1jba h VAL 171 N 0.00 0.49 -0.17 -2.13 -1.51 -1.26 1.73 116.25 113.40 1jba h VAL 171 Ca 0.00 -0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.51 1jba h VAL 171 Cb 0.00 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 29.63 1jba h VAL 171 CO 0.00 0.00 0.46 -0.08 -1.23 0.00 0.00 177.57 176.72 1jba h GLU 172 N 0.01 0.00 0.00 5.19 4.81 -1.26 0.27 114.58 123.60 1jba h GLU 172 Ca 0.25 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.30 1jba h GLU 172 Cb 0.39 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1jba h GLU 172 CO -0.53 0.00 -1.71 0.41 -0.73 0.00 0.00 179.01 176.45 1jba n GLY 173 N -1.34 -0.17 0.24 1.92 0.00 0.15 -4.20 105.19 101.78 1jba n GLY 173 Ca 0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba h ALA 174 N -0.00 0.50 0.00 4.61 0.00 0.28 -2.70 119.26 121.95 1jba h ALA 174 Ca -0.28 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1jba h ALA 174 Cb 1.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jba h ALA 174 CO -0.04 0.56 0.00 -2.13 0.00 0.00 0.00 179.25 177.64 1jba n ARG 175 N -4.16 0.07 0.00 0.00 0.63 0.91 -2.65 116.66 111.47 1jba n ARG 175 Ca -0.03 0.07 0.12 0.00 -0.92 0.00 0.00 57.85 57.09 1jba n ARG 175 Cb 0.51 -1.50 0.30 0.00 0.45 0.00 0.00 32.46 32.22 1jba n ARG 175 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1jba n ARG 176 N -1.46 0.46 -0.91 -0.14 3.00 -1.03 -4.94 116.66 111.64 1jba n ARG 176 Ca 0.07 -0.28 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1jba n ARG 176 Cb 0.27 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.24 1jba n ARG 176 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1jba n ASP 177 N -1.03 0.46 0.00 6.15 9.92 -1.08 -5.07 116.55 125.90 1jba n ASP 177 Ca 0.09 -0.46 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 1jba n ASP 177 Cb 0.34 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1jba n ASP 177 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1jba n LYS 178 N 0.00 3.09 0.04 -1.24 4.81 -1.26 -4.85 118.16 118.75 1jba n LYS 178 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1jba n LYS 178 Cb 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 35.03 34.65 1jba n LYS 178 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 1jba h TRP 179 N 0.00 0.52 -0.27 5.64 7.01 -1.98 -3.21 115.95 123.66 1jba h TRP 179 Ca 0.00 -0.38 0.08 0.00 2.11 0.00 0.00 58.89 60.70 1jba h TRP 179 Cb 0.00 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 1jba h TRP 179 CO 0.00 1.35 0.20 -0.24 -2.79 0.00 0.00 178.44 176.97 1jba h VAL 180 N -0.37 0.82 0.26 2.65 3.04 -1.92 -2.32 116.25 118.42 1jba h VAL 180 Ca -0.17 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.51 1jba h VAL 180 Cb 1.66 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1jba h VAL 180 CO 0.13 0.00 -0.13 0.24 -1.01 0.00 0.00 177.57 176.81 1jba h MET 181 N 0.00 -0.34 -0.58 4.17 2.86 -1.86 -2.22 114.93 116.96 1jba h MET 181 Ca 0.13 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 1jba h MET 181 Cb 0.53 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.16 1jba h MET 181 CO -0.00 0.00 -0.36 0.87 1.06 0.00 0.00 176.91 178.48 1jba h LYS 182 N -0.77 -0.18 0.45 1.72 1.57 -1.42 0.82 116.57 118.76 1jba h LYS 182 Ca -0.04 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jba h LYS 182 Cb 0.50 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1jba h LYS 182 CO 0.06 -0.12 -0.52 0.52 -0.57 0.00 0.00 179.45 178.82 1jba h MET 183 N -0.18 -0.95 -0.21 3.15 2.86 -1.54 1.91 114.93 119.97 1jba h MET 183 Ca 0.22 0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.98 1jba h MET 183 Cb 0.56 0.21 -0.07 0.00 0.06 0.00 0.00 31.60 32.36 1jba h MET 183 CO -0.67 -0.63 -0.28 -0.07 1.06 0.00 0.00 176.91 176.32 1jba h LEU 184 N -0.98 -0.88 0.00 1.22 3.38 -0.65 -3.35 115.31 114.05 1jba h LEU 184 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jba h LEU 184 Cb 0.87 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1jba h LEU 184 CO -0.10 -0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.12 1jba n GLN 185 N -5.39 0.00 0.00 1.13 6.02 0.28 -4.98 117.38 114.44 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 0.31 -0.40 0.00 0.00 1.02 0.00 0.00 30.24 31.17 1jba n GLN 185 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1jba n MET 186 N -0.48 0.00 0.00 -1.09 0.00 0.64 -5.01 117.12 111.18 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 -0.40 0.00 0.00 0.00 175.97 175.57 1jba n ASP 187 N -0.03 0.00 0.16 6.12 5.75 -1.26 -4.05 116.55 123.24 1jba n ASP 187 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jba n ASP 187 Cb 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1jba n ASP 187 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1jba n LEU 188 N -1.74 -1.32 0.00 -2.12 7.94 -1.26 -4.93 117.00 113.57 1jba n LEU 188 Ca 0.00 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 1jba n LEU 188 Cb 0.00 1.39 0.00 0.00 0.53 0.00 0.00 43.42 45.34 1jba n LEU 188 CO 0.00 -0.45 0.00 0.59 -1.11 0.00 0.00 177.39 176.42 1jba n ASN 189 N -3.36 0.00 0.00 1.96 4.13 -1.26 -5.17 115.26 111.56 1jba n ASN 189 Ca 0.00 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.29 1jba n ASN 189 Cb 0.00 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 38.41 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73