#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 -1.93 -1.52 1.61 1.13 -1.26 -4.48 117.38 110.93 1jba n GLN 3 Ca 0.00 1.70 -0.29 0.00 -1.94 0.00 0.00 57.00 56.48 1jba n GLN 3 Cb 0.00 -3.30 -0.14 0.00 0.11 0.00 0.00 30.24 26.91 1jba n GLN 3 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1jba n GLN 4 N 0.34 0.29 -0.17 -1.09 3.00 -1.26 -4.72 117.38 113.77 1jba n GLN 4 Ca 0.00 -0.17 -0.09 0.00 -0.01 0.00 0.00 57.00 56.74 1jba n GLN 4 Cb 0.45 -2.11 0.01 0.00 0.00 0.00 0.00 30.24 28.58 1jba n GLN 4 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1jba h PHE 5 N 13.19 0.82 0.00 1.08 0.04 -2.00 -3.48 116.94 126.59 1jba h PHE 5 Ca -0.05 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1jba h PHE 5 Cb 1.19 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1jba h PHE 5 CO 1.18 0.73 0.00 0.43 -0.60 0.00 0.00 178.31 180.05 1jba n SER 6 N -4.47 1.94 0.00 2.17 7.64 -1.26 -4.94 113.62 114.69 1jba n SER 6 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1jba n SER 6 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 0.00 0.00 -0.41 1.43 8.01 -1.26 -2.68 117.44 122.53 1jba n TRP 7 Ca 0.00 0.00 0.33 0.00 -1.31 0.00 0.00 57.50 56.52 1jba n TRP 7 Cb 0.00 -0.04 0.63 0.00 -2.01 0.00 0.00 31.31 29.89 1jba n TRP 7 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.69 177.61 1jba h GLU 8 N 0.00 0.16 0.64 -0.99 4.39 -1.95 0.20 114.58 117.04 1jba h GLU 8 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1jba h GLU 8 Cb 0.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1jba h GLU 8 CO 0.00 0.11 -0.49 1.49 -1.16 0.00 0.00 179.01 178.96 1jba h GLU 9 N 0.17 -1.04 -1.16 2.33 4.81 -1.92 -0.08 114.58 117.68 1jba h GLU 9 Ca 0.72 0.07 0.34 0.00 -0.13 0.00 0.00 59.36 60.36 1jba h GLU 9 Cb 2.27 0.24 -0.11 0.00 0.63 0.00 0.00 28.75 31.78 1jba h GLU 9 CO -0.29 -0.70 0.75 0.00 -0.73 0.00 0.00 179.01 178.04 1jba h ALA 10 N -1.08 2.46 -0.25 2.92 0.00 -1.25 1.31 119.26 123.37 1jba h ALA 10 Ca -0.08 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1jba h ALA 10 Cb 0.90 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1jba h ALA 10 CO 0.03 -0.97 -0.38 1.49 0.00 0.00 0.00 179.25 179.42 1jba h GLU 11 N 0.25 0.58 0.00 0.00 4.81 -1.00 -2.18 114.58 117.04 1jba h GLU 11 Ca 0.69 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1jba h GLU 11 Cb 1.99 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.37 1jba h GLU 11 CO -0.35 0.86 0.00 -1.91 -0.73 0.00 0.00 179.01 176.88 1jba n GLU 12 N -4.04 0.03 -0.38 1.92 2.13 0.44 -1.64 120.64 119.09 1jba n GLU 12 Ca -0.01 0.26 0.09 0.00 0.66 0.00 0.00 57.16 58.16 1jba n GLU 12 Cb 0.50 -1.55 0.29 0.00 0.27 0.00 0.00 31.44 30.94 1jba n GLU 12 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1jba n ASN 13 N -1.60 3.89 0.00 4.31 5.03 -0.67 -5.06 115.26 121.14 1jba n ASN 13 Ca 0.04 -2.15 0.00 0.00 0.87 0.00 0.00 54.58 53.33 1jba n ASN 13 Cb 0.19 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.50 1jba n ASN 13 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jba n GLY 14 N 1.13 1.01 3.68 7.41 0.00 -0.65 -4.54 105.19 113.23 1jba n GLY 14 Ca 0.21 -0.64 -0.52 0.00 0.00 0.00 0.00 46.02 45.08 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 4.39 0.48 -0.55 4.61 0.00 -1.26 -4.67 120.51 123.51 1jba n ALA 15 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 15 Cb 0.00 -2.40 0.22 0.00 0.00 0.00 0.00 19.45 17.28 1jba n ALA 15 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jba n VAL 16 N 5.07 0.00 -3.87 0.00 0.24 -1.26 -5.04 118.33 113.47 1jba n VAL 16 Ca 0.25 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.34 62.06 1jba n VAL 16 Cb 0.23 -0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 31.71 1jba n VAL 16 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1jba s GLY 17 N -2.13 0.22 0.00 7.63 0.00 -1.26 -5.10 107.32 106.68 1jba s GLY 17 Ca 0.63 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1jba s GLY 17 CO 0.66 -0.74 0.00 0.00 0.00 0.00 0.00 173.10 173.02 1jba n ALA 18 N -0.16 0.00 -0.92 3.20 0.00 -1.26 -2.84 120.51 118.53 1jba n ALA 18 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1jba n ALA 18 Cb 0.63 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.21 1jba n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n ALA 19 N 2.58 5.26 -1.00 0.00 0.00 -1.26 -4.70 120.51 121.38 1jba n ALA 19 Ca 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.94 1jba n ALA 19 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1jba n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jba n ASP 20 N -0.80 0.00 0.25 0.00 -0.08 -1.13 -2.09 116.55 112.70 1jba n ASP 20 Ca 0.50 0.18 0.09 0.00 -1.51 0.00 0.00 54.79 54.05 1jba n ASP 20 Cb 1.31 0.00 0.64 0.00 2.34 0.00 0.00 41.12 45.41 1jba n ASP 20 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jba h ALA 21 N -2.14 1.71 -0.82 -1.67 0.00 -1.85 -2.08 119.26 112.40 1jba h ALA 21 Ca 0.00 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.03 1jba h ALA 21 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.65 1jba h ALA 21 CO 0.00 0.11 0.23 0.00 0.00 0.00 0.00 179.25 179.60 1jba h ALA 22 N 1.91 1.16 -0.12 0.00 0.00 -1.83 0.34 119.26 120.71 1jba h ALA 22 Ca -0.00 0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 1jba h ALA 22 Cb 0.18 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jba h ALA 22 CO 0.01 -0.39 -0.81 0.37 0.00 0.00 0.00 179.25 178.43 1jba h GLN 23 N 0.27 0.77 -0.63 0.00 4.15 -0.82 -2.85 115.11 116.01 1jba h GLN 23 Ca 0.49 -0.66 0.12 0.00 0.77 0.00 0.00 58.65 59.37 1jba h GLN 23 Cb 0.93 0.15 -0.09 0.00 0.21 0.00 0.00 27.48 28.67 1jba h GLN 23 CO -0.58 1.26 0.14 -0.07 -1.93 0.00 0.00 178.83 177.65 1jba h LEU 24 N 0.49 0.00 -0.15 -2.39 3.38 -0.23 -0.54 115.31 115.88 1jba h LEU 24 Ca -0.07 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jba h LEU 24 Cb 1.45 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1jba h LEU 24 CO 0.17 0.00 0.08 -0.61 0.09 0.00 0.00 178.44 178.17 1jba h GLN 25 N 0.26 0.21 -0.67 1.13 4.15 -0.74 -2.36 115.11 117.09 1jba h GLN 25 Ca 0.33 -0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.87 1jba h GLN 25 Cb 0.51 -0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.04 1jba h GLN 25 CO -0.42 0.23 0.05 1.49 -1.93 0.00 0.00 178.83 178.24 1jba h GLU 26 N 0.14 0.15 -0.81 1.69 4.57 -0.90 0.19 114.58 119.61 1jba h GLU 26 Ca 0.05 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1jba h GLU 26 Cb 0.08 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1jba h GLU 26 CO -0.01 0.10 0.52 -1.49 -1.18 0.00 0.00 179.01 176.95 1jba h TRP 27 N 0.15 0.97 0.00 0.92 6.55 -0.89 -0.38 115.95 123.28 1jba h TRP 27 Ca 0.36 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.23 1jba h TRP 27 Cb 0.61 -0.32 -0.00 0.00 -0.86 0.00 0.00 29.16 28.58 1jba h TRP 27 CO -0.35 0.56 -0.01 -0.92 -1.05 0.00 0.00 178.44 176.67 1jba h TYR 28 N 1.01 0.00 0.17 0.49 3.20 -0.20 -0.61 116.97 121.03 1jba h TYR 28 Ca 0.32 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 1jba h TYR 28 Cb -0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1jba h TYR 28 CO -0.03 0.01 -0.08 -0.22 -1.64 0.00 0.00 178.16 176.21 1jba h LYS 29 N 0.00 -0.22 0.00 1.82 3.64 0.71 -2.61 116.57 119.91 1jba h LYS 29 Ca -0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1jba h LYS 29 Cb 0.39 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1jba h LYS 29 CO 0.00 -0.15 -0.12 0.87 -2.27 0.00 0.00 179.45 177.79 1jba h LYS 30 N -0.74 0.00 -0.14 1.90 1.57 -1.50 -2.32 116.57 115.34 1jba h LYS 30 Ca -0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1jba h LYS 30 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1jba h LYS 30 CO 0.04 0.12 -0.64 0.35 -0.57 0.00 0.00 179.45 178.75 1jba h PHE 31 N 0.00 0.91 -0.00 -1.35 3.57 -1.21 -3.03 116.94 115.84 1jba h PHE 31 Ca -0.00 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1jba h PHE 31 Cb 0.47 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1jba h PHE 31 CO 0.00 1.21 -0.01 1.28 -2.23 0.00 0.00 178.31 178.56 1jba n LEU 32 N -4.08 0.01 0.15 0.59 7.99 -0.98 -1.18 117.00 119.49 1jba n LEU 32 Ca -0.08 0.44 0.13 0.00 -0.01 0.00 0.00 56.01 56.50 1jba n LEU 32 Cb 0.67 -0.45 0.42 0.00 -0.11 0.00 0.00 43.42 43.95 1jba n LEU 32 CO 0.50 0.00 0.88 -0.08 -1.51 0.00 0.00 177.39 177.18 1jba h GLU 33 N 0.00 0.00 0.00 3.23 4.81 -1.29 -3.28 114.58 118.05 1jba h GLU 33 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jba h GLU 33 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1jba h GLU 33 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 179.01 176.37 1jba n GLU 34 N -2.47 0.20 -2.91 1.92 2.13 -1.16 -4.94 120.64 113.42 1jba n GLU 34 Ca 0.04 -0.40 -0.11 0.00 0.66 0.00 0.00 57.16 57.35 1jba n GLU 34 Cb 0.38 -0.58 -0.01 0.00 0.27 0.00 0.00 31.44 31.50 1jba n GLU 34 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jba n PRO 36 N 2.48 -1.19 -0.63 0.00 -0.02 -1.25 -2.60 135.00 131.79 1jba n PRO 36 Ca 0.18 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1jba n PRO 36 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1jba n PRO 36 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jba n SER 37 N -4.28 0.00 -3.01 2.55 2.88 -1.26 -4.15 113.62 106.36 1jba n SER 37 Ca 0.08 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.50 1jba n SER 37 Cb 0.53 -0.79 0.01 0.00 -0.75 0.00 0.00 64.21 63.21 1jba n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jba n GLY 38 N -2.00 -1.50 3.22 0.46 0.00 -1.07 -5.00 105.19 99.29 1jba n GLY 38 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 46.02 46.84 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 -1.96 -0.03 -0.21 2.61 -4.23 -1.26 -4.28 115.64 106.28 1jba s THR 39 Ca 0.20 0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 1jba s THR 39 Cb -0.04 -0.55 0.02 0.00 1.34 0.00 0.00 72.50 73.27 1jba s THR 39 CO 0.71 0.04 -0.12 -0.22 -0.54 0.00 0.00 174.62 174.49 1jba s LEU 40 N 1.31 2.68 0.31 4.79 0.20 -0.49 -4.96 118.68 122.51 1jba s LEU 40 Ca -0.09 -0.72 0.01 0.00 0.69 0.00 0.00 54.13 54.02 1jba s LEU 40 Cb -0.09 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 1jba s LEU 40 CO -0.11 -0.05 0.50 -0.36 -0.29 0.00 0.00 176.35 176.04 1jba s PHE 41 N 1.32 3.49 0.31 5.38 0.40 -1.26 0.03 117.98 127.66 1jba s PHE 41 Ca 0.03 0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.74 1jba s PHE 41 Cb -0.15 -1.86 0.88 0.00 0.51 0.00 0.00 43.02 42.40 1jba s PHE 41 CO -0.08 0.20 1.61 1.98 0.70 0.00 0.00 175.22 179.63 1jba h MET 42 N 1.04 0.11 -0.34 0.44 1.85 -1.98 0.30 114.93 116.34 1jba h MET 42 Ca -0.50 -0.01 0.07 0.00 -0.61 0.00 0.00 59.70 58.66 1jba h MET 42 Cb 1.21 -0.02 -0.08 0.00 0.43 0.00 0.00 31.60 33.14 1jba h MET 42 CO 0.62 0.07 -0.18 1.25 -0.40 0.00 0.00 176.91 178.28 1jba h HIS 43 N 0.11 -0.44 0.00 1.39 6.17 -1.96 0.37 115.15 120.79 1jba h HIS 43 Ca 0.64 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.76 1jba h HIS 43 Cb 1.41 0.25 0.00 0.00 2.52 0.00 0.00 27.41 31.59 1jba h HIS 43 CO -0.27 -0.25 0.00 1.49 0.71 0.00 0.00 177.93 179.60 1jba h GLU 44 N -0.12 0.00 -0.09 5.26 4.57 -0.81 -2.34 114.58 121.05 1jba h GLU 44 Ca 0.17 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.12 1jba h GLU 44 Cb 0.39 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1jba h GLU 44 CO -0.42 0.00 -0.86 0.35 -1.18 0.00 0.00 179.01 176.91 1jba h PHE 45 N 0.00 1.04 0.02 0.92 3.04 0.37 -2.56 116.94 119.78 1jba h PHE 45 Ca 0.00 -0.50 -0.00 0.00 3.98 0.00 0.00 57.97 61.45 1jba h PHE 45 Cb 0.22 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1jba h PHE 45 CO 0.00 1.33 -0.01 -0.22 -2.02 0.00 0.00 178.31 177.39 1jba h LYS 46 N 0.46 -0.03 0.01 1.11 3.64 -0.94 -2.67 116.57 118.14 1jba h LYS 46 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1jba h LYS 46 Cb 1.50 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1jba h LYS 46 CO 0.17 0.41 -0.03 0.00 -2.27 0.00 0.00 179.45 177.74 1jba h ARG 47 N -0.49 -0.04 -0.57 1.90 -0.00 -1.57 0.83 114.38 114.43 1jba h ARG 47 Ca -0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.98 59.53 1jba h ARG 47 Cb 0.46 0.01 -0.07 0.00 0.00 0.00 0.00 29.97 30.37 1jba h ARG 47 CO 0.01 -0.03 -0.34 0.35 0.00 0.00 0.00 179.97 179.95 1jba h PHE 48 N -0.04 -1.10 0.22 3.04 3.57 -1.57 1.05 116.94 122.09 1jba h PHE 48 Ca -0.00 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1jba h PHE 48 Cb 0.04 0.56 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1jba h PHE 48 CO -0.24 -0.22 -0.11 0.74 -2.23 0.00 0.00 178.31 176.26 1jba h PHE 49 N -0.01 -0.28 -2.78 0.41 -1.00 -1.41 -3.35 116.94 108.53 1jba h PHE 49 Ca 0.09 -0.01 -0.71 0.00 2.81 0.00 0.00 57.97 60.16 1jba h PHE 49 Cb 0.24 0.09 -0.35 0.00 3.61 0.00 0.00 35.95 39.54 1jba h PHE 49 CO -0.98 -0.17 0.04 1.63 -1.61 0.00 0.00 178.31 177.22 1jba n LYS 50 N -2.80 3.26 -1.05 1.51 4.76 0.29 -5.07 118.16 119.06 1jba n LYS 50 Ca -0.04 -4.58 -0.34 0.00 -2.87 0.00 0.00 58.31 50.49 1jba n LYS 50 Cb 0.12 -2.39 -0.00 0.00 -1.84 0.00 0.00 35.03 30.91 1jba n LYS 50 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1jba n VAL 51 N 1.44 0.48 -1.25 -0.18 3.14 0.36 -4.20 118.33 118.12 1jba n VAL 51 Ca 0.26 -0.40 -0.21 0.00 -2.96 0.00 0.00 64.34 61.03 1jba n VAL 51 Cb 0.37 0.00 -0.18 0.00 -1.06 0.00 0.00 33.84 32.97 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 1.09 0.00 -3.74 1.45 -0.02 -1.26 -4.81 135.00 127.71 1jba n PRO 52 Ca 0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.44 1jba n PRO 52 Cb 0.33 -0.91 -0.10 0.00 -0.02 0.00 0.00 33.50 32.80 1jba n PRO 52 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1jba s ASP 53 N 1.36 -0.34 0.51 2.55 2.15 -1.26 -5.10 116.67 116.54 1jba s ASP 53 Ca 1.10 0.55 0.00 0.00 0.43 0.00 0.00 52.55 54.63 1jba s ASP 53 Cb -0.77 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 42.47 1jba s ASP 53 CO 0.46 -0.24 0.00 0.59 -0.17 0.00 0.00 175.17 175.82 1jba n ASN 54 N 2.35 0.00 0.01 -0.34 5.03 -1.26 -4.85 115.26 116.20 1jba n ASN 54 Ca -0.16 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.29 1jba n ASN 54 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 1jba n ASN 54 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1jba n GLU 55 N 10.66 0.00 0.00 3.52 0.00 -1.26 -4.91 120.64 128.65 1jba n GLU 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1jba n GLU 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1jba n GLU 55 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1jba n GLU 56 N -2.28 0.00 -0.96 5.31 4.71 -1.26 -0.26 120.64 125.90 1jba n GLU 56 Ca 0.00 0.24 -0.14 0.00 -0.01 0.00 0.00 57.16 57.25 1jba n GLU 56 Cb 0.00 -1.71 0.20 0.00 -1.01 0.00 0.00 31.44 28.91 1jba n GLU 56 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jba n ALA 57 N -1.21 4.74 -0.07 0.62 0.00 -1.26 -4.12 120.51 119.20 1jba n ALA 57 Ca 0.00 -2.21 -0.06 0.00 0.00 0.00 0.00 53.44 51.17 1jba n ALA 57 Cb 0.21 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.20 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 -0.53 1.18 0.17 0.00 -1.04 0.64 -4.32 114.28 110.38 1jba n THR 58 Ca 0.43 -0.78 -0.13 0.00 -2.04 0.00 0.00 64.05 61.53 1jba n THR 58 Cb 1.37 -0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 69.35 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 -0.45 -0.65 -2.82 -0.00 -1.80 -2.72 115.11 106.66 1jba h GLN 59 Ca -0.41 0.03 0.10 0.00 -0.00 0.00 0.00 58.65 58.37 1jba h GLN 59 Cb 1.98 0.10 -0.12 0.00 0.00 0.00 0.00 27.48 29.45 1jba h GLN 59 CO 0.03 -0.13 -0.40 -0.92 0.00 0.00 0.00 178.83 177.41 1jba h TYR 60 N -0.86 -1.16 -0.62 3.99 3.20 -1.83 0.16 116.97 119.85 1jba h TYR 60 Ca -0.05 0.08 0.10 0.00 3.14 0.00 0.00 58.73 62.01 1jba h TYR 60 Cb 0.53 0.60 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 1jba h TYR 60 CO 0.03 -0.41 0.22 0.28 -1.64 0.00 0.00 178.16 176.64 1jba h VAL 61 N -0.17 0.74 -1.03 1.81 2.07 -1.75 0.13 116.25 118.06 1jba h VAL 61 Ca 0.22 -0.14 0.26 0.00 0.82 0.00 0.00 66.70 67.87 1jba h VAL 61 Cb 0.56 0.31 -0.12 0.00 -1.52 0.00 0.00 31.29 30.53 1jba h VAL 61 CO -0.74 0.07 0.63 -0.08 0.02 0.00 0.00 177.57 177.47 1jba h GLU 62 N 0.39 0.48 -0.44 1.57 4.57 -0.37 0.90 114.58 121.68 1jba h GLU 62 Ca 0.32 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.40 1jba h GLU 62 Cb 0.41 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1jba h GLU 62 CO -0.33 0.32 -0.02 0.00 -1.18 0.00 0.00 179.01 177.80 1jba h ALA 63 N 1.70 1.15 0.20 2.92 0.00 -0.29 -1.90 119.26 123.04 1jba h ALA 63 Ca 0.64 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1jba h ALA 63 Cb 1.38 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jba h ALA 63 CO -0.42 0.55 -0.10 0.52 0.00 0.00 0.00 179.25 179.80 1jba h MET 64 N 0.68 -0.26 0.00 0.00 2.86 0.12 -1.52 114.93 116.81 1jba h MET 64 Ca 0.13 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1jba h MET 64 Cb 0.45 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1jba h MET 64 CO 0.02 -0.14 0.00 0.35 1.06 0.00 0.00 176.91 178.20 1jba h PHE 65 N -0.31 0.00 0.13 -0.22 3.04 -1.15 -2.47 116.94 115.96 1jba h PHE 65 Ca -0.03 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1jba h PHE 65 Cb 0.24 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1jba h PHE 65 CO -0.05 0.00 -0.06 -0.09 -2.02 0.00 0.00 178.31 176.09 1jba h ARG 66 N 0.00 -0.17 0.00 1.11 2.43 -0.48 -0.56 114.38 116.72 1jba h ARG 66 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1jba h ARG 66 Cb 0.19 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1jba h ARG 66 CO 0.00 -0.11 0.00 0.00 -1.51 0.00 0.00 179.97 178.35 1jba n ALA 67 N -2.43 1.10 -0.04 2.80 0.00 -0.76 -3.41 120.51 117.77 1jba n ALA 67 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1jba n ALA 67 Cb 0.07 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1jba n ALA 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jba n PHE 68 N -1.50 0.00 -0.64 0.00 -0.00 -0.94 -4.61 117.46 109.78 1jba n PHE 68 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.20 1jba n PHE 68 Cb 0.02 -0.23 -0.04 0.00 -0.00 0.00 0.00 39.48 39.24 1jba n PHE 68 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1jba n ASP 69 N -3.38 2.60 0.02 -2.13 2.03 -0.22 -4.33 116.55 111.14 1jba n ASP 69 Ca -0.06 -2.36 -0.10 0.00 0.52 0.00 0.00 54.79 52.78 1jba n ASP 69 Cb 0.23 -0.88 -0.13 0.00 -0.72 0.00 0.00 41.12 39.62 1jba n ASP 69 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1jba h THR 70 N 4.06 1.18 -0.57 5.18 1.35 -1.82 -3.30 112.91 118.99 1jba h THR 70 Ca 0.33 -2.94 0.17 0.00 -0.55 0.00 0.00 66.41 63.41 1jba h THR 70 Cb 0.33 2.62 -0.02 0.00 -1.73 0.00 0.00 68.15 69.35 1jba h THR 70 CO 1.56 0.72 0.57 -0.55 -0.25 0.00 0.00 175.52 177.57 1jba h ASN 71 N 0.01 0.00 0.00 5.36 7.08 -1.95 -3.44 115.58 122.64 1jba h ASN 71 Ca -0.19 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.03 1jba h ASN 71 Cb 1.94 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.18 1jba h ASN 71 CO 0.11 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.07 1jba n GLY 72 N -1.55 0.56 0.01 9.14 0.00 -1.24 -4.93 105.19 107.17 1jba n GLY 72 Ca 0.11 -0.80 0.14 0.00 0.00 0.00 0.00 46.02 45.47 1jba n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jba n ASP 73 N 1.75 0.05 0.00 1.61 8.00 -1.26 -4.86 116.55 121.85 1jba n ASP 73 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1jba n ASP 73 Cb 0.38 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1jba n ASP 73 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1jba n ASN 74 N -1.37 0.00 -3.87 -2.24 5.15 -1.26 -4.85 115.26 106.81 1jba n ASN 74 Ca 0.11 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.99 1jba n ASN 74 Cb 0.29 -0.83 -0.08 0.00 -0.53 0.00 0.00 39.78 38.63 1jba n ASN 74 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1jba s THR 75 N -1.37 0.12 -0.25 -0.44 -1.32 -1.26 -4.44 115.64 106.69 1jba s THR 75 Ca 0.00 -1.02 -0.06 0.00 -1.21 0.00 0.00 61.69 59.40 1jba s THR 75 Cb 0.00 -1.01 -0.01 0.00 -1.51 0.00 0.00 72.50 69.97 1jba s THR 75 CO 0.00 -0.56 0.04 -0.63 -2.21 0.00 0.00 174.62 171.25 1jba s ILE 76 N -2.86 3.95 0.68 5.08 -1.09 0.10 -4.95 121.20 122.11 1jba s ILE 76 Ca -0.03 -0.38 -0.12 0.00 -2.23 0.00 0.00 60.65 57.90 1jba s ILE 76 Cb 0.00 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1jba s ILE 76 CO -0.06 0.31 1.06 -0.62 -1.23 0.00 0.00 174.94 174.40 1jba s ASP 77 N 1.55 5.45 0.27 3.58 -1.08 -1.26 -1.40 116.67 123.78 1jba s ASP 77 Ca 0.05 1.65 -0.04 0.00 -0.52 0.00 0.00 52.55 53.69 1jba s ASP 77 Cb -0.15 -2.50 0.54 0.00 -1.46 0.00 0.00 42.92 39.35 1jba s ASP 77 CO 0.01 -1.40 1.62 0.15 0.52 0.00 0.00 175.17 176.08 1jba h PHE 78 N -0.53 -0.01 0.33 -5.34 3.57 -1.95 0.87 116.94 113.88 1jba h PHE 78 Ca -0.44 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.10 1jba h PHE 78 Cb 1.21 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.09 1jba h PHE 78 CO 0.61 -0.28 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.18 1jba h LEU 79 N 0.09 -0.38 -0.47 0.59 -0.00 -1.95 0.04 115.31 113.24 1jba h LEU 79 Ca 0.48 -0.12 0.05 0.00 -0.00 0.00 0.00 57.88 58.29 1jba h LEU 79 Cb 0.89 0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.60 1jba h LEU 79 CO -0.73 -0.10 0.20 -0.08 -0.00 0.00 0.00 178.44 177.73 1jba h GLU 80 N -0.67 0.38 0.87 1.13 4.81 -1.44 0.28 114.58 119.94 1jba h GLU 80 Ca -0.05 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1jba h GLU 80 Cb 0.47 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1jba h GLU 80 CO 0.07 0.25 -0.46 -0.92 -0.73 0.00 0.00 179.01 177.23 1jba h TYR 81 N 0.40 -1.20 -0.71 0.92 3.20 0.74 -2.33 116.97 118.00 1jba h TYR 81 Ca 0.21 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.17 1jba h TYR 81 Cb 0.18 0.41 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 1jba h TYR 81 CO -0.13 -0.71 0.32 0.28 -1.64 0.00 0.00 178.16 176.27 1jba h VAL 82 N -1.21 0.78 -1.00 1.81 2.07 -0.82 0.12 116.25 117.99 1jba h VAL 82 Ca -0.12 -0.18 0.23 0.00 0.82 0.00 0.00 66.70 67.45 1jba h VAL 82 Cb 0.95 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.82 1jba h VAL 82 CO 0.17 0.10 0.62 0.00 0.02 0.00 0.00 177.57 178.48 1jba h ALA 83 N 1.46 1.92 -0.63 1.67 0.00 -0.25 0.33 119.26 123.76 1jba h ALA 83 Ca 0.36 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1jba h ALA 83 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1jba h ALA 83 CO -0.31 -0.32 0.32 0.00 0.00 0.00 0.00 179.25 178.95 1jba h ALA 84 N 1.66 0.81 0.11 0.00 0.00 -0.21 -2.53 119.26 119.09 1jba h ALA 84 Ca 0.59 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.39 1jba h ALA 84 Cb 1.18 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1jba h ALA 84 CO -0.36 0.35 -0.49 -0.07 0.00 0.00 0.00 179.25 178.69 1jba h LEU 85 N 0.86 -1.47 -1.58 0.00 3.38 -0.10 1.27 115.31 117.67 1jba h LEU 85 Ca 0.22 0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.57 1jba h LEU 85 Cb 0.08 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 1jba h LEU 85 CO -0.03 -0.51 0.63 -1.13 0.09 0.00 0.00 178.44 177.48 1jba h ASN 86 N -0.69 0.33 0.01 -0.43 -1.24 -1.41 2.27 115.58 114.43 1jba h ASN 86 Ca -0.01 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 1jba h ASN 86 Cb 0.70 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.73 1jba h ASN 86 CO -0.27 0.12 -0.01 0.25 -1.29 0.00 0.00 177.43 176.23 1jba h LEU 87 N 0.32 -0.01 -0.07 0.34 7.12 -0.55 -3.39 115.31 119.07 1jba h LEU 87 Ca 0.49 -0.24 -0.10 0.00 0.13 0.00 0.00 57.88 58.16 1jba h LEU 87 Cb 1.35 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.49 1jba h LEU 87 CO -0.16 0.60 -0.34 1.62 -0.13 0.00 0.00 178.44 180.03 1jba h VAL 88 N -1.00 1.42 -3.70 1.05 3.04 0.19 -3.44 116.25 113.80 1jba h VAL 88 Ca -0.00 -1.75 -0.50 0.00 -1.01 0.00 0.00 66.70 63.43 1jba h VAL 88 Cb 0.26 2.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.88 1jba h VAL 88 CO 0.00 0.50 0.42 -0.22 -1.01 0.00 0.00 177.57 177.27 1jba s LEU 89 N -8.67 4.57 0.00 3.16 2.96 0.76 -4.84 118.68 116.62 1jba s LEU 89 Ca -0.14 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1jba s LEU 89 Cb 0.04 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1jba s LEU 89 CO 0.78 -0.04 0.00 -1.14 -1.32 0.00 0.00 176.35 174.63 1jba n ARG 90 N 1.75 0.00 -3.51 1.98 0.00 -1.26 -4.42 116.66 111.19 1jba n ARG 90 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 1jba n ARG 90 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.90 1jba n ARG 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1jba s GLY 91 N -2.64 -0.45 0.00 5.14 0.00 -1.26 -4.93 107.32 103.18 1jba s GLY 91 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1jba s GLY 91 CO 0.00 0.40 0.00 -1.30 0.00 0.00 0.00 173.10 172.20 1jba n THR 92 N -0.15 0.00 -1.75 0.90 -2.24 -1.26 -5.14 114.28 104.63 1jba n THR 92 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1jba n THR 92 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1jba n THR 92 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jba n LEU 93 N -1.35 0.00 -0.02 3.22 4.77 -1.26 -5.00 117.00 117.37 1jba n LEU 93 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1jba n LEU 93 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1jba n LEU 93 CO 0.00 -0.13 0.46 -1.84 -1.33 0.00 0.00 177.39 174.55 1jba n GLU 94 N -0.25 0.06 0.11 3.23 0.00 -1.26 -4.04 120.64 118.49 1jba n GLU 94 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 57.16 57.15 1jba n GLU 94 Cb 0.00 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.10 1jba n GLU 94 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1jba n HIS 95 N -1.44 0.19 -0.27 -1.84 1.44 -1.26 0.00 115.22 112.04 1jba n HIS 95 Ca 0.06 0.10 -0.06 0.00 -2.01 0.00 0.00 57.72 55.81 1jba n HIS 95 Cb 0.34 -0.35 0.06 0.00 0.12 0.00 0.00 29.99 30.15 1jba n HIS 95 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1jba h LYS 96 N 0.00 1.11 -0.42 -1.40 1.63 -1.93 -2.40 116.57 113.16 1jba h LYS 96 Ca 0.00 -0.20 -0.07 0.00 -0.85 0.00 0.00 60.65 59.54 1jba h LYS 96 Cb 0.82 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1jba h LYS 96 CO 0.00 0.90 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.82 1jba h LEU 97 N 1.08 0.66 0.77 5.20 3.38 -0.76 -2.18 115.31 123.45 1jba h LEU 97 Ca 0.25 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1jba h LEU 97 Cb 0.20 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jba h LEU 97 CO -0.02 0.74 -0.37 0.50 0.09 0.00 0.00 178.44 179.38 1jba h LYS 98 N 0.65 -0.99 -0.77 1.13 3.64 -1.54 -1.64 116.57 117.04 1jba h LYS 98 Ca 0.13 0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.73 1jba h LYS 98 Cb 0.43 0.23 -0.10 0.00 -0.41 0.00 0.00 32.23 32.38 1jba h LYS 98 CO 0.02 -0.66 0.30 2.35 -2.27 0.00 0.00 179.45 179.18 1jba h TRP 99 N -1.05 0.50 -0.62 1.91 7.01 -1.48 0.10 115.95 122.31 1jba h TRP 99 Ca -0.11 0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.04 1jba h TRP 99 Cb 0.79 -0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 27.66 1jba h TRP 99 CO 0.05 0.03 0.19 1.15 -2.79 0.00 0.00 178.44 177.07 1jba h THR 100 N 0.42 0.68 -0.02 2.65 2.02 -1.22 0.48 112.91 117.93 1jba h THR 100 Ca 0.43 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1jba h THR 100 Cb 0.68 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1jba h THR 100 CO -0.43 0.06 0.01 0.15 0.37 0.00 0.00 175.52 175.69 1jba h PHE 101 N 0.33 0.00 -0.22 3.16 3.04 0.18 -1.85 116.94 121.59 1jba h PHE 101 Ca 0.33 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.24 1jba h PHE 101 Cb 0.46 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1jba h PHE 101 CO -0.21 0.00 0.00 -0.22 -2.02 0.00 0.00 178.31 175.86 1jba h LYS 102 N 0.00 0.38 -0.41 1.11 3.11 0.51 -2.03 116.57 119.24 1jba h LYS 102 Ca 0.01 -0.12 0.05 0.00 -2.81 0.00 0.00 60.65 57.78 1jba h LYS 102 Cb 0.04 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.19 1jba h LYS 102 CO -0.00 0.57 0.15 0.82 -2.81 0.00 0.00 179.45 178.17 1jba h ILE 103 N 0.15 0.88 0.00 2.00 1.08 -0.93 0.18 117.51 120.87 1jba h ILE 103 Ca 0.06 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1jba h ILE 103 Cb 0.39 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1jba h ILE 103 CO 0.01 0.06 0.00 1.88 -0.69 0.00 0.00 178.15 179.41 1jba h TYR 104 N 0.31 0.00 -2.69 1.37 0.05 -1.38 -3.31 116.97 111.31 1jba h TYR 104 Ca 0.19 0.00 -0.76 0.00 0.05 0.00 0.00 58.73 58.21 1jba h TYR 104 Cb 0.17 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 37.70 1jba h TYR 104 CO -0.15 0.00 1.02 0.34 -1.05 0.00 0.00 178.16 178.32 1jba s ASP 105 N -4.88 7.18 0.21 3.88 2.15 0.64 -4.78 116.67 121.07 1jba s ASP 105 Ca -0.01 -3.24 -0.10 0.00 0.43 0.00 0.00 52.55 49.63 1jba s ASP 105 Cb 0.10 -2.33 0.22 0.00 -0.30 0.00 0.00 42.92 40.61 1jba s ASP 105 CO 0.39 -0.57 1.82 0.50 -0.17 0.00 0.00 175.17 177.14 1jba h LYS 106 N 6.94 0.69 0.00 4.34 3.11 -1.74 -3.40 116.57 126.52 1jba h LYS 106 Ca 0.27 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1jba h LYS 106 Cb 0.87 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.94 1jba h LYS 106 CO 1.16 0.46 0.00 -0.40 -2.81 0.00 0.00 179.45 177.86 1jba n ASP 107 N -4.76 0.00 0.00 4.20 5.68 -1.26 -5.06 116.55 115.34 1jba n ASP 107 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1jba n ASP 107 Cb 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1jba n ASP 107 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1jba n ARG 108 N 0.00 0.00 0.00 0.11 0.63 -1.26 -5.07 116.66 111.07 1jba n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1jba n ARG 108 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1jba n ARG 108 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1jba n ASN 109 N 0.00 0.00 -0.14 6.15 6.94 -1.26 -4.99 115.26 121.96 1jba n ASN 109 Ca 0.00 -0.93 -0.02 0.00 -0.02 0.00 0.00 54.58 53.61 1jba n ASN 109 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 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 0.54 3.28 4.83 0.00 -1.26 -5.01 105.19 107.57 1jba n GLY 110 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.86 1.37 0.27 0.00 1.01 -0.82 -4.88 121.20 114.28 1jba s ILE 112 Ca 0.07 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.16 1jba s ILE 112 Cb 0.03 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1jba s ILE 112 CO -0.09 0.40 -0.19 -1.81 0.00 0.00 0.00 174.94 173.25 1jba s ASP 113 N 0.21 3.38 0.30 3.58 1.11 -1.26 -2.47 116.67 121.53 1jba s ASP 113 Ca -0.07 -1.03 0.06 0.00 0.18 0.00 0.00 52.55 51.69 1jba s ASP 113 Cb -0.13 -0.27 0.35 0.00 1.07 0.00 0.00 42.92 43.94 1jba s ASP 113 CO 0.03 -0.01 1.01 0.54 1.18 0.00 0.00 175.17 177.92 1jba n ARG 114 N -0.57 0.05 -0.03 8.23 1.74 -1.26 -0.06 116.66 124.76 1jba n ARG 114 Ca -0.06 0.49 -0.17 0.00 -0.77 0.00 0.00 57.85 57.35 1jba n ARG 114 Cb 0.60 -2.16 -0.13 0.00 -1.02 0.00 0.00 32.46 29.75 1jba n ARG 114 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1jba h GLN 115 N 0.00 0.11 0.00 5.56 4.15 -1.99 -1.83 115.11 121.11 1jba h GLN 115 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1jba h GLN 115 Cb 1.00 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1jba h GLN 115 CO 0.00 1.09 0.00 0.93 -1.93 0.00 0.00 178.83 178.92 1jba h GLU 116 N -0.76 0.00 0.00 1.69 5.08 -0.78 -2.35 114.58 117.45 1jba h GLU 116 Ca -0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1jba h GLU 116 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1jba h GLU 116 CO 0.03 0.00 -0.79 1.28 -1.00 0.00 0.00 179.01 178.53 1jba n LEU 117 N -2.74 1.84 -0.11 1.33 4.77 -1.07 -2.28 117.00 118.75 1jba n LEU 117 Ca -0.01 0.54 0.26 0.00 -0.03 0.00 0.00 56.01 56.77 1jba n LEU 117 Cb 0.12 -0.86 0.59 0.00 -2.33 0.00 0.00 43.42 40.94 1jba n LEU 117 CO 0.18 -0.28 1.24 0.25 -1.33 0.00 0.00 177.39 177.45 1jba h LEU 118 N -1.00 0.00 0.09 2.23 6.46 -1.28 2.13 115.31 123.94 1jba h LEU 118 Ca -0.08 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.54 1jba h LEU 118 Cb 0.76 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.70 1jba h LEU 118 CO -0.05 0.00 -0.60 -0.78 -0.62 0.00 0.00 178.44 176.39 1jba h ASP 119 N 0.00 0.30 0.21 1.25 3.58 -1.55 -2.48 116.42 117.73 1jba h ASP 119 Ca 0.39 -0.95 -0.01 0.00 0.42 0.00 0.00 57.03 56.88 1jba h ASP 119 Cb 2.18 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 43.14 1jba h ASP 119 CO -0.00 1.28 -0.10 0.40 -2.88 0.00 0.00 179.24 177.94 1jba h ILE 120 N -0.59 0.67 -0.49 2.25 1.08 0.31 -2.71 117.51 118.02 1jba h ILE 120 Ca -0.11 -1.02 0.10 0.00 -0.39 0.00 0.00 64.86 63.44 1jba h ILE 120 Cb 1.43 1.13 -0.10 0.00 -3.07 0.00 0.00 36.82 36.21 1jba h ILE 120 CO 0.09 0.17 -0.28 0.58 -0.69 0.00 0.00 178.15 178.02 1jba h VAL 121 N -0.91 0.27 -1.04 1.67 2.07 0.23 1.13 116.25 119.65 1jba h VAL 121 Ca -0.03 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.77 1jba h VAL 121 Cb 0.50 0.27 -0.11 0.00 -1.52 0.00 0.00 31.29 30.42 1jba h VAL 121 CO 0.05 0.00 0.64 -0.08 0.02 0.00 0.00 177.57 178.20 1jba h GLU 122 N -0.16 0.42 -0.35 1.57 4.57 -1.49 0.68 114.58 119.83 1jba h GLU 122 Ca 0.22 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1jba h GLU 122 Cb 0.51 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1jba h GLU 122 CO -0.59 0.28 0.03 1.03 -1.18 0.00 0.00 179.01 178.58 1jba h SER 123 N 0.43 0.57 -0.60 1.04 0.87 0.15 -1.36 113.55 114.66 1jba h SER 123 Ca 0.65 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.92 1jba h SER 123 Cb 1.50 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 1jba h SER 123 CO -0.41 0.71 0.33 0.40 -0.53 0.00 0.00 176.83 177.33 1jba h ILE 124 N 0.41 1.19 -0.70 2.23 5.03 0.22 -2.49 117.51 123.40 1jba h ILE 124 Ca 0.10 -0.47 -0.01 0.00 -0.12 0.00 0.00 64.86 64.36 1jba h ILE 124 Cb 0.40 0.42 -0.03 0.00 -3.03 0.00 0.00 36.82 34.57 1jba h ILE 124 CO 0.01 0.21 0.42 1.88 -0.68 0.00 0.00 178.15 179.98 1jba h TYR 125 N 0.81 0.93 -0.51 1.37 -1.99 -0.51 -2.13 116.97 114.93 1jba h TYR 125 Ca 0.21 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 61.02 1jba h TYR 125 Cb 0.03 -0.31 -0.07 0.00 2.00 0.00 0.00 36.73 38.39 1jba h TYR 125 CO -0.01 0.64 0.14 -0.22 -0.00 0.00 0.00 178.16 178.70 1jba h LYS 126 N 0.96 0.28 -0.01 4.88 3.64 -0.81 -1.34 116.57 124.17 1jba h LYS 126 Ca 0.25 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1jba h LYS 126 Cb -0.02 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1jba h LYS 126 CO -0.05 0.19 0.00 1.25 -2.27 0.00 0.00 179.45 178.58 1jba h LEU 127 N 0.29 0.01 -0.94 5.20 6.46 -1.16 -2.56 115.31 122.62 1jba h LEU 127 Ca 0.26 -0.09 0.20 0.00 -0.12 0.00 0.00 57.88 58.12 1jba h LEU 127 Cb 0.32 -0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.14 1jba h LEU 127 CO -0.30 0.10 0.51 0.50 -0.62 0.00 0.00 178.44 178.63 1jba h LYS 128 N -0.08 0.59 -1.58 1.25 3.64 -0.77 0.39 116.57 120.00 1jba h LYS 128 Ca 0.00 -0.04 0.46 0.00 -1.27 0.00 0.00 60.65 59.81 1jba h LYS 128 Cb 0.09 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 1jba h LYS 128 CO -0.00 0.39 1.14 -0.22 -2.27 0.00 0.00 179.45 178.49 1jba h LYS 129 N 0.60 0.00 0.00 1.90 3.64 -0.82 -3.13 116.57 118.76 1jba h LYS 129 Ca 0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1jba h LYS 129 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1jba h LYS 129 CO -0.43 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 176.75 1jba n ALA 130 N -2.84 0.00 -0.04 5.00 0.00 0.13 -4.98 120.51 117.78 1jba n ALA 130 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1jba n ALA 130 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.09 1jba n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jba n SER 132 N -3.26 0.45 -0.11 0.00 7.64 -1.26 -5.10 113.62 111.99 1jba n SER 132 Ca 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1jba n SER 132 Cb 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1jba n SER 132 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1jba n VAL 133 N 0.26 0.00 -3.09 0.44 0.24 -1.26 -5.12 118.33 109.80 1jba n VAL 133 Ca 0.01 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.13 1jba n VAL 133 Cb 0.92 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.25 1jba n VAL 133 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jba n GLU 134 N 0.00 0.48 -1.27 7.34 1.02 -1.26 -4.94 120.64 122.01 1jba n GLU 134 Ca 0.00 -2.68 0.04 0.00 -0.02 0.00 0.00 57.16 54.50 1jba n GLU 134 Cb 0.00 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1jba n GLU 134 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1jba n VAL 135 N 2.36 0.19 0.39 2.62 3.14 -1.26 -4.87 118.33 120.89 1jba n VAL 135 Ca 0.22 -1.04 0.00 0.00 -2.96 0.00 0.00 64.34 60.56 1jba n VAL 135 Cb 0.53 0.82 0.00 0.00 -1.06 0.00 0.00 33.84 34.14 1jba n VAL 135 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1jba n GLU 136 N 0.28 0.39 -1.02 1.45 -0.00 -1.26 -4.74 120.64 115.75 1jba n GLU 136 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.22 1jba n GLU 136 Cb 1.05 -1.27 0.00 0.00 -0.00 0.00 0.00 31.44 31.22 1jba n GLU 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jba n ALA 137 N 0.63 -2.79 -2.00 -1.84 0.00 -1.26 -5.08 120.51 108.17 1jba n ALA 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jba n ALA 137 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1jba n ALA 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jba n GLU 138 N 0.18 0.00 -0.27 0.00 1.02 -1.26 -4.94 120.64 115.37 1jba n GLU 138 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1jba n GLU 138 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 31.58 1jba n GLU 138 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jba n GLN 139 N 0.00 2.21 0.00 3.49 6.02 -1.26 -4.54 117.38 123.30 1jba n GLN 139 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.71 1jba n GLN 139 Cb 0.00 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.73 1jba n GLN 139 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1jba n GLN 140 N 0.38 0.00 0.00 -1.09 7.27 -1.26 -4.87 117.38 117.80 1jba n GLN 140 Ca 0.12 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.74 1jba n GLN 140 Cb 0.46 -1.18 0.00 0.00 2.41 0.00 0.00 30.24 31.93 1jba n GLN 140 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1jba n GLY 141 N -0.92 0.00 2.33 1.69 0.00 -1.26 -5.04 105.19 101.99 1jba n GLY 141 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1jba n GLY 141 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jba n LYS 142 N -0.00 0.74 -2.02 1.61 2.85 -1.26 -5.11 118.16 114.97 1jba n LYS 142 Ca 0.00 -2.86 -0.42 0.00 -1.05 0.00 0.00 58.31 53.98 1jba n LYS 142 Cb 0.00 -1.29 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 1jba n LYS 142 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1jba s LEU 143 N -1.13 4.38 0.30 -5.58 2.96 -1.26 -5.01 118.68 113.34 1jba s LEU 143 Ca 0.34 2.60 0.03 0.00 -0.22 0.00 0.00 54.13 56.89 1jba s LEU 143 Cb 0.19 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.21 1jba s LEU 143 CO -0.14 -0.72 0.06 -1.48 -1.32 0.00 0.00 176.35 172.75 1jba s LEU 144 N 0.23 2.04 0.26 -0.68 0.05 -1.26 -5.13 118.68 114.19 1jba s LEU 144 Ca 0.63 -1.36 -0.09 0.00 0.05 0.00 0.00 54.13 53.35 1jba s LEU 144 Cb -0.42 -0.27 -0.07 0.00 -2.05 0.00 0.00 46.19 43.39 1jba s LEU 144 CO 0.38 -0.63 0.57 0.42 -0.55 0.00 0.00 176.35 176.55 1jba s THR 145 N -3.42 4.92 0.24 5.48 -4.23 -1.26 -4.93 115.64 112.43 1jba s THR 145 Ca 0.36 0.45 0.26 0.00 -1.18 0.00 0.00 61.69 61.58 1jba s THR 145 Cb 0.08 -3.64 0.26 0.00 1.34 0.00 0.00 72.50 70.54 1jba s THR 145 CO 0.14 -0.15 1.77 -0.65 -0.54 0.00 0.00 174.62 175.20 1jba h PRO 146 N 2.31 0.00 0.00 3.99 0.10 -2.02 0.68 132.00 137.07 1jba h PRO 146 Ca -0.47 0.00 -0.29 0.00 0.10 0.00 0.00 66.00 65.34 1jba h PRO 146 Cb 1.17 0.00 -0.05 0.00 0.10 0.00 0.00 31.00 32.22 1jba h PRO 146 CO 0.68 0.00 -1.72 -0.85 0.10 0.00 0.00 178.00 176.21 1jba n GLU 147 N -2.52 0.63 0.44 1.05 0.28 -1.26 -3.83 120.64 115.44 1jba n GLU 147 Ca -0.02 0.28 -0.19 0.00 -0.16 0.00 0.00 57.16 57.08 1jba n GLU 147 Cb 0.20 -1.78 -0.09 0.00 1.43 0.00 0.00 31.44 31.19 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 -1.07 -0.52 3.44 4.81 -1.23 -2.47 114.58 117.55 1jba h GLU 148 Ca -0.29 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1jba h GLU 148 Cb 2.01 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 31.54 1jba h GLU 148 CO 0.08 -0.71 -0.03 -0.24 -0.73 0.00 0.00 179.01 177.38 1jba h VAL 149 N -1.13 0.56 -0.95 0.32 3.04 -1.74 0.17 116.25 116.52 1jba h VAL 149 Ca -0.11 -0.03 0.25 0.00 -1.01 0.00 0.00 66.70 65.80 1jba h VAL 149 Cb 0.85 0.47 -0.13 0.00 -2.01 0.00 0.00 31.29 30.47 1jba h VAL 149 CO 0.19 0.02 0.48 0.58 -1.01 0.00 0.00 177.57 177.83 1jba h VAL 150 N 0.09 0.45 0.00 1.51 2.07 -1.62 1.57 116.25 120.31 1jba h VAL 150 Ca 0.26 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1jba h VAL 150 Cb 0.40 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1jba h VAL 150 CO -0.46 0.08 0.00 0.47 0.02 0.00 0.00 177.57 177.68 1jba n ASP 151 N -5.00 0.81 -0.07 0.57 8.00 0.44 -3.45 116.55 117.84 1jba n ASP 151 Ca 0.25 0.59 -0.10 0.00 0.71 0.00 0.00 54.79 56.24 1jba n ASP 151 Cb 0.75 -0.80 -0.08 0.00 -0.02 0.00 0.00 41.12 40.96 1jba n ASP 151 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1jba h ARG 152 N 0.00 0.00 -0.68 -1.24 2.43 0.37 -2.88 114.38 112.39 1jba h ARG 152 Ca 0.00 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.37 1jba h ARG 152 Cb 0.70 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1jba h ARG 152 CO 0.00 0.65 0.63 0.82 -1.51 0.00 0.00 179.97 180.56 1jba h ILE 153 N -1.00 0.36 0.15 1.20 2.04 -0.99 0.70 117.51 119.97 1jba h ILE 153 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1jba h ILE 153 Cb 0.69 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1jba h ILE 153 CO -0.02 0.00 -0.07 0.15 0.00 0.00 0.00 178.15 178.21 1jba h PHE 154 N 0.00 -0.19 -0.56 1.37 3.57 -1.59 -2.59 116.94 116.96 1jba h PHE 154 Ca 0.32 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 1jba h PHE 154 Cb 1.59 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.37 1jba h PHE 154 CO 0.00 0.19 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.18 1jba h LEU 155 N -0.95 0.96 -0.67 0.59 -0.00 -0.89 0.33 115.31 114.69 1jba h LEU 155 Ca -0.02 -0.27 0.01 0.00 -0.00 0.00 0.00 57.88 57.60 1jba h LEU 155 Cb 0.46 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 1jba h LEU 155 CO 0.03 1.03 0.44 0.25 -0.00 0.00 0.00 178.44 180.19 1jba h LEU 156 N 0.90 0.75 0.00 1.67 7.12 0.22 -3.36 115.31 122.61 1jba h LEU 156 Ca 0.16 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1jba h LEU 156 Cb 0.55 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1jba h LEU 156 CO 0.03 0.54 0.00 0.52 -0.13 0.00 0.00 178.44 179.40 1jba n VAL 157 N -4.64 0.00 -1.76 1.05 0.31 -0.97 -4.89 118.33 107.43 1jba n VAL 157 Ca 0.06 0.43 -0.41 0.00 -0.01 0.00 0.00 64.34 64.40 1jba n VAL 157 Cb 0.03 -1.34 -0.01 0.00 -0.91 0.00 0.00 33.84 31.62 1jba n VAL 157 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1jba n ASP 158 N -2.00 3.78 0.00 4.52 -0.08 0.12 -4.83 116.55 118.05 1jba n ASP 158 Ca 0.00 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.47 1jba n ASP 158 Cb 0.00 -1.60 0.00 0.00 2.34 0.00 0.00 41.12 41.86 1jba n ASP 158 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jba n GLU 159 N 1.25 0.00 -0.61 -0.67 1.02 -1.26 -4.38 120.64 115.99 1jba n GLU 159 Ca 0.05 -0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 1jba n GLU 159 Cb 0.38 -0.11 0.31 0.00 -0.02 0.00 0.00 31.44 31.99 1jba n GLU 159 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1jba n ASN 160 N 0.00 4.38 -3.02 1.62 6.94 -1.26 -4.98 115.26 118.94 1jba n ASN 160 Ca 0.00 -2.54 -0.10 0.00 -0.02 0.00 0.00 54.58 51.92 1jba n ASN 160 Cb 0.36 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 37.21 1jba n ASN 160 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jba n GLY 161 N 0.77 -1.63 0.00 4.83 0.00 -1.26 -4.95 105.19 102.95 1jba n GLY 161 Ca 0.22 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1jba n GLY 161 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jba n ASP 162 N 0.39 0.00 0.00 1.61 2.03 -1.26 -4.99 116.55 114.33 1jba n ASP 162 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1jba n ASP 162 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1jba n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jba n GLY 163 N 0.00 0.07 2.93 0.27 0.00 -1.26 -4.90 105.19 102.30 1jba n GLY 163 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.55 0.10 -0.50 1.61 -0.21 -1.26 -4.92 119.66 112.93 1jba s GLN 164 Ca 0.00 0.60 -0.22 0.00 0.02 0.00 0.00 55.36 55.77 1jba s GLN 164 Cb 0.00 -0.16 0.04 0.00 1.00 0.00 0.00 33.01 33.89 1jba s GLN 164 CO 0.00 -0.27 0.77 -1.17 -2.12 0.00 0.00 175.29 172.50 1jba s LEU 165 N 2.09 4.47 0.89 2.90 2.96 -1.03 -4.89 118.68 126.05 1jba s LEU 165 Ca -0.00 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 1jba s LEU 165 Cb -0.12 -2.71 0.19 0.00 0.50 0.00 0.00 46.19 44.05 1jba s LEU 165 CO -0.07 -1.00 1.21 -0.55 -1.32 0.00 0.00 176.35 174.62 1jba s SER 166 N 2.55 3.41 0.04 3.68 0.15 -1.26 -1.94 113.70 120.33 1jba s SER 166 Ca 0.24 -0.16 -0.32 0.00 0.70 0.00 0.00 55.95 56.41 1jba s SER 166 Cb -0.15 0.08 -0.18 0.00 -1.71 0.00 0.00 66.02 64.06 1jba s SER 166 CO 0.17 -2.51 1.35 0.25 1.20 0.00 0.00 173.24 173.71 1jba h LEU 167 N -1.25 -0.98 -0.90 3.45 5.85 -1.97 -1.45 115.31 118.06 1jba h LEU 167 Ca -0.39 0.03 0.20 0.00 0.84 0.00 0.00 57.88 58.56 1jba h LEU 167 Cb 1.23 0.25 -0.17 0.00 0.37 0.00 0.00 40.66 42.35 1jba h LEU 167 CO 0.34 -0.64 -0.15 -1.13 -0.34 0.00 0.00 178.44 176.52 1jba h ASN 168 N -1.29 -0.71 0.74 1.25 -0.73 -1.98 1.33 115.58 114.19 1jba h ASN 168 Ca -0.12 0.26 -0.04 0.00 1.87 0.00 0.00 56.30 58.28 1jba h ASN 168 Cb 0.89 0.52 0.01 0.00 0.27 0.00 0.00 38.32 40.01 1jba h ASN 168 CO 0.20 -0.29 -0.35 -0.33 -0.37 0.00 0.00 177.43 176.28 1jba h GLU 169 N 0.01 -0.95 -0.05 6.67 5.08 -1.92 -1.68 114.58 121.74 1jba h GLU 169 Ca 0.46 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.90 1jba h GLU 169 Cb 0.78 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1jba h GLU 169 CO -0.89 -0.62 -0.03 0.35 -1.00 0.00 0.00 179.01 176.82 1jba h PHE 170 N -1.06 -0.07 -0.04 4.33 3.57 0.01 -1.87 116.94 121.81 1jba h PHE 170 Ca -0.10 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.42 1jba h PHE 170 Cb 0.77 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1jba h PHE 170 CO -0.01 -0.05 -0.20 0.28 -2.23 0.00 0.00 178.31 176.10 1jba h VAL 171 N -0.03 0.00 -0.08 1.41 2.07 0.17 0.67 116.25 120.47 1jba h VAL 171 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1jba h VAL 171 Cb 0.08 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1jba h VAL 171 CO -0.07 0.00 0.37 -0.08 0.02 0.00 0.00 177.57 177.81 1jba h GLU 172 N -0.22 0.00 -0.00 1.57 4.57 -1.27 0.70 114.58 119.92 1jba h GLU 172 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1jba h GLU 172 Cb 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1jba h GLU 172 CO -0.16 0.00 -0.70 0.41 -1.18 0.00 0.00 179.01 177.39 1jba n GLY 173 N -1.28 -0.96 0.00 1.92 0.00 0.66 -4.17 105.19 101.37 1jba n GLY 173 Ca -0.00 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.58 1jba n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jba n ALA 174 N -1.29 3.22 0.09 4.61 0.00 0.22 -4.43 120.51 122.93 1jba n ALA 174 Ca 0.06 -0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1jba n ALA 174 Cb 0.35 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 0.14 -1.13 0.00 2.43 -1.17 -3.44 114.38 111.21 1jba h ARG 175 Ca 0.00 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1jba h ARG 175 Cb 0.33 0.05 -0.22 0.00 -0.42 0.00 0.00 29.97 29.71 1jba h ARG 175 CO 0.00 0.96 -0.40 0.50 -1.51 0.00 0.00 179.97 179.52 1jba s ARG 176 N -3.06 0.53 0.00 0.20 3.52 -1.26 -5.13 118.95 113.75 1jba s ARG 176 Ca -0.02 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1jba s ARG 176 Cb 0.10 0.16 0.00 0.00 -1.56 0.00 0.00 34.95 33.65 1jba s ARG 176 CO 0.83 -1.03 0.00 -3.47 -0.81 0.00 0.00 175.30 170.81 1jba n ASP 177 N 5.41 0.00 0.00 -2.12 -0.08 -1.26 -4.90 116.55 113.60 1jba n ASP 177 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1jba n ASP 177 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1jba n ASP 177 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1jba n LYS 178 N 0.00 0.20 -0.23 -0.67 5.02 -1.26 -4.93 118.16 116.30 1jba n LYS 178 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jba n LYS 178 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1jba n LYS 178 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1jba n TRP 179 N -0.81 0.00 -0.02 2.13 -0.00 -1.26 -4.96 117.44 112.52 1jba n TRP 179 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 1jba n TRP 179 Cb 0.03 0.12 -0.00 0.00 -0.00 0.00 0.00 31.31 31.46 1jba n TRP 179 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1jba h VAL 180 N 4.24 0.00 -1.01 5.87 2.07 -1.91 -2.43 116.25 123.08 1jba h VAL 180 Ca 0.00 -0.77 0.29 0.00 0.82 0.00 0.00 66.70 67.04 1jba h VAL 180 Cb 1.06 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.70 1jba h VAL 180 CO 0.00 0.00 0.59 -0.03 0.02 0.00 0.00 177.57 178.15 1jba h MET 181 N -0.82 0.42 0.14 1.57 1.85 -1.86 0.48 114.93 116.71 1jba h MET 181 Ca -0.01 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 1jba h MET 181 Cb 0.04 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 31.98 1jba h MET 181 CO 0.01 0.28 -0.07 0.87 -0.40 0.00 0.00 176.91 177.60 1jba h LYS 182 N 0.44 -0.18 0.00 0.39 6.56 -1.78 -0.73 116.57 121.27 1jba h LYS 182 Ca 0.69 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 60.30 1jba h LYS 182 Cb 1.49 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.19 1jba h LYS 182 CO -0.54 -0.12 0.22 -0.12 -2.06 0.00 0.00 179.45 176.84 1jba n MET 183 N -2.91 0.08 -0.03 3.15 1.56 -0.91 -0.62 117.12 117.44 1jba n MET 183 Ca -0.02 0.53 -0.02 0.00 -0.27 0.00 0.00 57.70 57.92 1jba n MET 183 Cb 0.07 -1.97 -0.01 0.00 2.15 0.00 0.00 33.22 33.47 1jba n MET 183 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1jba h LEU 184 N 0.00 0.00 0.27 -0.89 5.85 0.04 -3.43 115.31 117.15 1jba h LEU 184 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jba h LEU 184 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1jba h LEU 184 CO 0.00 0.34 -0.13 -0.61 -0.34 0.00 0.00 178.44 177.70 1jba h GLN 185 N -0.48 -0.35 -2.41 1.25 4.15 -0.78 -3.49 115.11 113.00 1jba h GLN 185 Ca 0.00 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.50 1jba h GLN 185 Cb 0.19 0.08 -0.15 0.00 0.21 0.00 0.00 27.48 27.81 1jba h GLN 185 CO 0.00 -0.12 0.39 1.41 -1.93 0.00 0.00 178.83 178.58 1jba s MET 186 N -3.06 0.95 0.40 1.69 0.00 0.21 -5.02 119.30 114.47 1jba s MET 186 Ca -0.08 -0.27 0.12 0.00 0.00 0.00 0.00 55.69 55.45 1jba s MET 186 Cb 0.01 0.44 0.92 0.00 0.00 0.00 0.00 34.83 36.20 1jba s MET 186 CO 0.27 -0.40 1.93 -0.44 0.00 0.00 0.00 175.02 176.38 1jba h ASP 187 N 2.12 0.51 0.00 1.11 5.19 -1.88 -3.36 116.42 120.11 1jba h ASP 187 Ca -0.26 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1jba h ASP 187 Cb 1.25 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1jba h ASP 187 CO 0.34 0.29 0.00 -0.11 -3.12 0.00 0.00 179.24 176.63 1jba n LEU 188 N -4.50 0.00 0.00 1.55 7.94 -1.26 -4.85 117.00 115.88 1jba n LEU 188 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 1jba n LEU 188 Cb 0.42 0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1jba n LEU 188 CO 0.32 -0.11 0.00 -3.20 -1.11 0.00 0.00 177.39 173.30 1jba n ASN 189 N -1.52 0.00 0.00 1.96 5.15 -1.26 -5.16 115.26 114.42 1jba n ASN 189 Ca 0.00 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.02 1jba n ASN 189 Cb 0.00 0.00 0.26 0.00 -0.53 0.00 0.00 39.78 39.51 1jba n ASN 189 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85