#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtb n ASN 2 N 0.00 4.57 0.00 1.45 3.02 -1.26 -5.05 115.26 117.99 1jtb n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1jtb n ASN 2 Cb 0.00 0.89 0.00 0.00 -0.61 0.00 0.00 39.78 40.06 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jtb n GLY 4 N 0.00 1.15 0.30 0.00 0.00 -1.26 -4.68 105.19 100.70 1jtb n GLY 4 Ca 0.00 -0.69 0.30 0.00 0.00 0.00 0.00 46.02 45.63 1jtb n GLY 4 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jtb n GLN 5 N 0.00 -0.05 0.00 1.61 6.02 -1.26 -1.14 117.38 122.55 1jtb n GLN 5 Ca 0.00 1.27 0.00 0.00 -0.01 0.00 0.00 57.00 58.26 1jtb n GLN 5 Cb 0.00 -2.29 0.00 0.00 1.02 0.00 0.00 30.24 28.97 1jtb n GLN 5 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1jtb n VAL 6 N -5.06 0.00 -0.24 5.09 0.31 -1.26 -1.40 118.33 115.77 1jtb n VAL 6 Ca 0.35 1.15 -0.07 0.00 -0.01 0.00 0.00 64.34 65.76 1jtb n VAL 6 Cb 1.21 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 32.22 1jtb n VAL 6 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1jtb h ASP 7 N 0.00 -1.49 -0.77 4.52 1.82 -1.47 0.30 116.42 119.33 1jtb h ASP 7 Ca 0.00 0.26 0.13 0.00 -0.39 0.00 0.00 57.03 57.02 1jtb h ASP 7 Cb 0.00 0.70 -0.13 0.00 0.68 0.00 0.00 39.33 40.58 1jtb h ASP 7 CO 0.00 -0.32 -0.28 -0.24 -1.61 0.00 0.00 179.24 176.79 1jtb n SER 8 N -5.41 -0.46 -0.04 2.28 2.88 -0.85 0.14 113.62 112.16 1jtb n SER 8 Ca 0.03 1.34 0.01 0.00 -1.33 0.00 0.00 58.87 58.93 1jtb n SER 8 Cb 0.35 -0.33 -0.13 0.00 -0.75 0.00 0.00 64.21 63.35 1jtb n SER 8 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jtb n LYS 9 N -5.16 0.90 -0.26 -1.46 4.76 -0.49 -4.62 118.16 111.82 1jtb n LYS 9 Ca 0.09 -0.09 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1jtb n LYS 9 Cb 0.32 -1.42 0.21 0.00 -1.84 0.00 0.00 35.03 32.30 1jtb n LYS 9 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1jtb n MET 10 N -2.34 2.91 0.04 1.97 2.81 0.97 -4.29 117.12 119.19 1jtb n MET 10 Ca -0.14 -2.29 -0.13 0.00 -1.81 0.00 0.00 57.70 53.33 1jtb n MET 10 Cb 0.72 -1.41 -0.07 0.00 -0.71 0.00 0.00 33.22 31.75 1jtb n MET 10 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1jtb h LYS 11 N 2.55 -0.54 -0.08 0.03 3.64 -0.41 0.55 116.57 122.32 1jtb h LYS 11 Ca 0.00 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1jtb h LYS 11 Cb 0.89 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1jtb h LYS 11 CO 0.03 -0.36 0.65 -1.00 -2.27 0.00 0.00 179.45 176.51 1jtb h PRO 12 N -0.56 0.00 0.07 1.90 0.13 -1.84 0.82 132.00 132.52 1jtb h PRO 12 Ca 0.05 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.90 1jtb h PRO 12 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1jtb h PRO 12 CO -0.35 0.00 -1.50 0.00 -0.23 0.00 0.00 178.00 175.92 1jtb h LEU 14 N -0.49 -1.02 -0.70 0.00 5.85 -0.41 -1.30 115.31 117.24 1jtb h LEU 14 Ca -0.35 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.52 1jtb h LEU 14 Cb 1.64 0.30 -0.12 0.00 0.37 0.00 0.00 40.66 42.86 1jtb h LEU 14 CO -0.04 -0.61 -0.46 0.71 -0.34 0.00 0.00 178.44 177.69 1jtb h THR 15 N -0.97 0.05 -0.89 1.05 1.35 -1.02 0.91 112.91 113.40 1jtb h THR 15 Ca -0.08 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.92 1jtb h THR 15 Cb 0.79 0.05 -0.14 0.00 -1.73 0.00 0.00 68.15 67.12 1jtb h THR 15 CO 0.06 0.00 -0.40 0.22 -0.25 0.00 0.00 175.52 175.15 1jtb h TYR 16 N -0.17 -1.15 -0.39 4.73 3.20 -0.59 1.03 116.97 123.62 1jtb h TYR 16 Ca 0.20 0.10 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1jtb h TYR 16 Cb 0.55 0.63 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 1jtb h TYR 16 CO -0.79 -0.40 0.23 -0.39 -1.64 0.00 0.00 178.16 175.17 1jtb h VAL 17 N -0.05 1.12 -0.50 1.81 -1.51 0.28 0.32 116.25 117.72 1jtb h VAL 17 Ca 0.30 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.49 1jtb h VAL 17 Cb 0.57 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1jtb h VAL 17 CO -0.91 0.12 0.00 0.00 -1.23 0.00 0.00 177.57 175.56 1jtb n GLN 18 N -4.45 2.41 0.00 5.19 10.64 0.14 0.65 117.38 131.96 1jtb n GLN 18 Ca 0.03 -1.90 0.00 0.00 -1.83 0.00 0.00 57.00 53.30 1jtb n GLN 18 Cb 0.09 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 27.98 1jtb n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jtb n GLY 19 N 1.19 4.19 0.00 2.61 0.00 0.29 -4.16 105.19 109.30 1jtb n GLY 19 Ca 0.17 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1jtb n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtb n GLY 20 N 0.00 1.48 0.12 -0.02 0.00 0.24 -4.54 105.19 102.47 1jtb n GLY 20 Ca 0.00 -2.22 -0.24 0.00 0.00 0.00 0.00 46.02 43.56 1jtb n GLY 20 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jtb n PRO 21 N -0.69 0.61 0.02 1.61 -0.04 -1.26 -4.55 135.00 130.70 1jtb n PRO 21 Ca 0.00 0.39 -0.01 0.00 -0.04 0.00 0.00 63.50 63.83 1jtb n PRO 21 Cb 0.00 -1.64 -0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1jtb n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jtb n GLY 22 N 1.54 -0.07 0.33 0.55 0.00 -1.26 -4.83 105.19 101.44 1jtb n GLY 22 Ca -0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 1jtb n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jtb h PRO 23 N -0.08 -0.11 0.00 1.61 0.13 -1.89 -3.51 132.00 128.14 1jtb h PRO 23 Ca -0.02 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1jtb h PRO 23 Cb 0.45 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1jtb h PRO 23 CO -0.01 -0.08 0.00 0.43 -0.23 0.00 0.00 178.00 178.11 1jtb n SER 24 N -5.45 0.00 -0.02 1.44 7.64 -1.26 -4.77 113.62 111.20 1jtb n SER 24 Ca 0.06 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.95 1jtb n SER 24 Cb 0.36 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.58 1jtb n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jtb n GLY 25 N 1.76 -0.08 0.34 0.23 0.00 -1.26 -0.67 105.19 105.51 1jtb n GLY 25 Ca 0.00 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1jtb n GLY 25 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1jtb h GLU 26 N 0.00 0.01 0.25 1.61 4.11 -1.96 -1.41 114.58 117.20 1jtb h GLU 26 Ca 0.04 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1jtb h GLU 26 Cb 0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1jtb h GLU 26 CO -0.06 0.01 -0.12 0.00 0.07 0.00 0.00 179.01 178.91 1jtb h ASN 29 N 0.08 0.25 -0.67 0.00 -1.07 -1.21 -1.62 115.58 111.34 1jtb h ASN 29 Ca 0.53 -0.44 0.09 0.00 0.07 0.00 0.00 56.30 56.55 1jtb h ASN 29 Cb 1.04 -0.07 -0.11 0.00 -2.07 0.00 0.00 38.32 37.11 1jtb h ASN 29 CO -0.79 0.63 -0.48 1.23 0.07 0.00 0.00 177.43 178.09 1jtb h GLY 30 N -0.13 -0.56 -0.61 9.14 0.00 0.21 0.71 103.07 111.82 1jtb h GLY 30 Ca 0.02 0.63 0.15 0.00 0.00 0.00 0.00 47.33 48.13 1jtb h GLY 30 CO 0.02 -0.12 -0.22 -2.08 0.00 0.00 0.00 176.54 174.13 1jtb h VAL 31 N -0.19 0.18 0.37 4.60 2.07 -0.11 0.39 116.25 123.57 1jtb h VAL 31 Ca 0.18 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1jtb h VAL 31 Cb 0.55 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1jtb h VAL 31 CO -0.75 0.00 -0.18 -0.09 0.02 0.00 0.00 177.57 176.57 1jtb h ARG 32 N -0.02 -0.48 -0.77 1.57 1.12 0.12 0.16 114.38 116.09 1jtb h ARG 32 Ca 0.37 0.03 0.13 0.00 -1.11 0.00 0.00 59.98 59.40 1jtb h ARG 32 Cb 0.58 0.11 -0.14 0.00 -0.01 0.00 0.00 29.97 30.52 1jtb h ARG 32 CO -0.82 -0.24 -0.35 -0.44 -3.11 0.00 0.00 179.97 175.01 1jtb h ASP 33 N -0.65 -1.25 0.29 -3.80 3.32 0.26 0.31 116.42 114.90 1jtb h ASP 33 Ca -0.05 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1jtb h ASP 33 Cb 0.47 0.65 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1jtb h ASP 33 CO 0.08 -0.30 -0.50 -0.07 -1.72 0.00 0.00 179.24 176.74 1jtb h LEU 34 N -0.09 -1.44 -1.65 1.55 -0.00 -0.26 0.57 115.31 113.99 1jtb h LEU 34 Ca 0.29 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.30 1jtb h LEU 34 Cb 0.57 0.51 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1jtb h LEU 34 CO -0.82 -0.60 0.38 -0.74 -0.00 0.00 0.00 178.44 176.66 1jtb h HIS 35 N -0.85 0.00 0.03 1.13 2.76 0.26 0.39 115.15 118.86 1jtb h HIS 35 Ca -0.03 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.80 1jtb h HIS 35 Cb 0.80 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.71 1jtb h HIS 35 CO -0.35 0.00 -2.10 -1.71 -1.30 0.00 0.00 177.93 172.47 1jtb n ASN 36 N -2.71 1.09 -0.02 3.26 2.85 0.16 -4.61 115.26 115.28 1jtb n ASN 36 Ca -0.02 0.16 0.06 0.00 -0.11 0.00 0.00 54.58 54.67 1jtb n ASN 36 Cb 0.42 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.31 1jtb n ASN 36 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jtb n GLN 37 N -3.09 0.64 0.00 1.20 10.64 0.11 -4.44 117.38 122.44 1jtb n GLN 37 Ca -0.30 -0.13 0.00 0.00 -1.83 0.00 0.00 57.00 54.74 1jtb n GLN 37 Cb 1.07 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 29.05 1jtb n GLN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jtb n ALA 38 N -2.15 2.39 -2.08 2.61 0.00 0.12 -3.79 120.51 117.61 1jtb n ALA 38 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1jtb n ALA 38 Cb 0.52 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.99 1jtb n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jtb n GLN 39 N -0.08 3.17 0.00 0.00 1.13 -1.26 -3.27 117.38 117.07 1jtb n GLN 39 Ca 0.00 -4.00 0.00 0.00 -1.94 0.00 0.00 57.00 51.06 1jtb n GLN 39 Cb 0.18 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.26 1jtb n GLN 39 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1jtb n SER 40 N -0.60 0.00 -2.60 1.08 2.88 -1.25 -5.03 113.62 108.11 1jtb n SER 40 Ca 0.47 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.92 1jtb n SER 40 Cb 0.59 -0.01 0.03 0.00 -0.75 0.00 0.00 64.21 64.08 1jtb n SER 40 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1jtb n SER 41 N -1.89 2.50 0.00 -3.46 7.64 -1.26 -4.92 113.62 112.24 1jtb n SER 41 Ca 0.00 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.16 1jtb n SER 41 Cb 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1jtb n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jtb n GLY 42 N -0.46 1.31 0.00 0.23 0.00 -1.26 -5.02 105.19 100.00 1jtb n GLY 42 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jtb n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jtb n ASP 43 N 0.00 0.00 -0.38 1.61 9.92 -1.26 0.14 116.55 126.58 1jtb n ASP 43 Ca 0.00 0.03 -0.10 0.00 -0.53 0.00 0.00 54.79 54.19 1jtb n ASP 43 Cb 0.00 -0.02 -0.09 0.00 -0.64 0.00 0.00 41.12 40.37 1jtb n ASP 43 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1jtb n ARG 44 N -1.96 -0.40 0.08 -1.24 3.00 -1.20 -0.05 116.66 114.90 1jtb n ARG 44 Ca 0.00 1.36 -0.13 0.00 -0.01 0.00 0.00 57.85 59.07 1jtb n ARG 44 Cb 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 32.46 30.39 1jtb n ARG 44 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1jtb h GLN 45 N 0.00 -0.11 -0.88 5.56 4.20 -0.63 0.10 115.11 123.34 1jtb h GLN 45 Ca 0.14 0.01 0.23 0.00 0.06 0.00 0.00 58.65 59.09 1jtb h GLN 45 Cb 0.37 0.03 -0.15 0.00 0.30 0.00 0.00 27.48 28.02 1jtb h GLN 45 CO -0.84 -0.05 0.08 1.15 -0.67 0.00 0.00 178.83 178.50 1jtb h THR 46 N -0.15 0.21 0.35 -0.54 2.02 0.20 0.60 112.91 115.59 1jtb h THR 46 Ca -0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1jtb h THR 46 Cb 0.12 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1jtb h THR 46 CO 0.02 0.02 -0.17 0.58 0.37 0.00 0.00 175.52 176.34 1jtb h VAL 47 N 0.09 0.67 -0.99 3.16 2.07 0.24 -1.95 116.25 119.54 1jtb h VAL 47 Ca 0.53 -0.33 0.32 0.00 0.82 0.00 0.00 66.70 68.03 1jtb h VAL 47 Cb 1.04 0.84 -0.18 0.00 -1.52 0.00 0.00 31.29 31.47 1jtb h VAL 47 CO -0.76 0.07 0.19 0.00 0.02 0.00 0.00 177.57 177.08 1jtb h ASN 49 N 0.01 0.32 -0.12 0.00 4.21 -0.12 0.23 115.58 120.11 1jtb h ASN 49 Ca 0.68 -0.04 0.02 0.00 1.21 0.00 0.00 56.30 58.17 1jtb h ASN 49 Cb 1.54 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 38.64 1jtb h ASN 49 CO -0.88 0.27 -0.01 0.00 -1.29 0.00 0.00 177.43 175.53 1jtb h LEU 51 N 0.03 -1.07 -0.56 0.00 3.38 -0.47 -1.08 115.31 115.53 1jtb h LEU 51 Ca 0.06 0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.25 1jtb h LEU 51 Cb 0.07 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1jtb h LEU 51 CO -0.11 -0.46 0.10 0.11 0.09 0.00 0.00 178.44 178.18 1jtb h LYS 52 N -0.62 0.23 -0.59 1.13 1.79 -0.05 0.56 116.57 119.01 1jtb h LYS 52 Ca 0.02 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1jtb h LYS 52 Cb 0.64 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1jtb h LYS 52 CO -0.20 0.15 0.09 0.78 -1.08 0.00 0.00 179.45 179.19 1jtb h GLY 53 N 0.23 1.06 0.33 3.86 0.00 -0.06 -0.48 103.07 108.01 1jtb h GLY 53 Ca 0.29 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1jtb h GLY 53 CO -0.38 0.65 -0.10 1.19 0.00 0.00 0.00 176.54 177.89 1jtb h ILE 54 N 0.88 1.58 -0.74 2.60 2.10 -0.89 -3.18 117.51 119.87 1jtb h ILE 54 Ca 0.18 -1.85 0.22 0.00 1.08 0.00 0.00 64.86 64.49 1jtb h ILE 54 Cb 0.42 2.79 -0.14 0.00 -1.09 0.00 0.00 36.82 38.81 1jtb h ILE 54 CO 0.01 0.49 0.08 0.00 -1.08 0.00 0.00 178.15 177.65 1jtb n ALA 55 N -2.51 0.44 -0.05 0.18 0.00 0.19 -0.81 120.51 117.95 1jtb n ALA 55 Ca -0.09 0.78 -0.00 0.00 0.00 0.00 0.00 53.44 54.13 1jtb n ALA 55 Cb 0.43 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1jtb n ALA 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1jtb n ARG 56 N -4.96 -0.04 -1.36 0.00 0.63 -0.20 -0.88 116.66 109.86 1jtb n ARG 56 Ca 0.19 0.20 0.04 0.00 -0.92 0.00 0.00 57.85 57.36 1jtb n ARG 56 Cb 0.63 -0.30 0.03 0.00 0.45 0.00 0.00 32.46 33.26 1jtb n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jtb n GLY 57 N -1.06 1.19 0.00 5.14 0.00 0.01 -5.04 105.19 105.44 1jtb n GLY 57 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1jtb n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jtb n ILE 58 N 0.36 0.00 0.00 -0.61 2.08 -0.05 -4.91 119.36 116.23 1jtb n ILE 58 Ca 0.06 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.37 1jtb n ILE 58 Cb 1.09 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.98 1jtb n ILE 58 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1jtb n HIS 59 N -2.44 0.00 -3.17 1.39 8.25 -1.26 -4.92 115.22 113.08 1jtb n HIS 59 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1jtb n HIS 59 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 1jtb n HIS 59 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jtb n ASN 60 N 0.15 4.70 -4.72 0.41 3.02 -1.26 -5.07 115.26 112.50 1jtb n ASN 60 Ca 0.00 -3.52 -0.42 0.00 -0.03 0.00 0.00 54.58 50.61 1jtb n ASN 60 Cb 0.00 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.35 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jtb s LEU 61 N -2.93 4.37 -0.24 3.41 2.96 -1.26 -3.88 118.68 121.12 1jtb s LEU 61 Ca 0.40 2.62 -0.00 0.00 -0.22 0.00 0.00 54.13 56.93 1jtb s LEU 61 Cb 0.17 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 43.12 1jtb s LEU 61 CO -0.03 -0.84 -0.23 -3.20 -1.32 0.00 0.00 176.35 170.74 1jtb n ASN 62 N 4.11 2.11 0.00 3.68 2.85 0.21 -4.97 115.26 123.25 1jtb n ASN 62 Ca 0.14 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 1jtb n ASN 62 Cb 0.38 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 40.98 1jtb n ASN 62 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1jtb n LEU 63 N -3.33 0.00 -0.22 1.20 7.94 -1.26 -4.24 117.00 117.08 1jtb n LEU 63 Ca -0.43 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.43 1jtb n LEU 63 Cb 0.93 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.90 1jtb n LEU 63 CO 0.21 0.00 0.64 0.78 -1.11 0.00 0.00 177.39 177.90 1jtb h ASN 64 N 0.00 -1.12 -0.91 1.96 2.35 -1.96 0.55 115.58 116.44 1jtb h ASN 64 Ca 0.00 0.23 0.17 0.00 -0.55 0.00 0.00 56.30 56.15 1jtb h ASN 64 Cb 0.00 0.58 -0.10 0.00 0.05 0.00 0.00 38.32 38.85 1jtb h ASN 64 CO 0.00 -0.30 0.50 -0.55 -1.65 0.00 0.00 177.43 175.44 1jtb h ASN 65 N -0.13 0.62 -0.22 5.81 -1.07 -1.97 0.13 115.58 118.76 1jtb h ASN 65 Ca 0.26 0.10 -0.03 0.00 0.07 0.00 0.00 56.30 56.69 1jtb h ASN 65 Cb 0.55 -0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.79 1jtb h ASN 65 CO -0.71 0.24 0.01 0.00 0.07 0.00 0.00 177.43 177.03 1jtb h ALA 66 N 1.60 0.29 0.00 4.14 0.00 -0.35 -0.22 119.26 124.72 1jtb h ALA 66 Ca 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jtb h ALA 66 Cb 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jtb h ALA 66 CO -0.38 -0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.00 1jtb h ALA 67 N 0.81 1.12 0.00 0.00 0.00 0.11 0.38 119.26 121.69 1jtb h ALA 67 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1jtb h ALA 67 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jtb h ALA 67 CO 0.01 -0.12 -1.15 0.45 0.00 0.00 0.00 179.25 178.44 1jtb n SER 68 N -2.94 0.81 0.09 0.00 2.88 0.24 -4.33 113.62 110.37 1jtb n SER 68 Ca -0.03 0.32 -0.14 0.00 -1.33 0.00 0.00 58.87 57.70 1jtb n SER 68 Cb 0.18 0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 64.03 1jtb n SER 68 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1jtb h ILE 69 N 0.00 0.17 -0.66 2.46 2.04 0.10 -1.37 117.51 120.25 1jtb h ILE 69 Ca -0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.95 1jtb h ILE 69 Cb 1.14 0.17 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 1jtb h ILE 69 CO 0.01 0.00 0.12 -0.65 0.00 0.00 0.00 178.15 177.63 1jtb h PRO 70 N -0.61 0.23 0.43 2.37 0.11 -1.75 0.86 132.00 133.64 1jtb h PRO 70 Ca 0.03 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1jtb h PRO 70 Cb 0.66 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1jtb h PRO 70 CO -0.27 0.15 -0.21 1.03 -0.21 0.00 0.00 178.00 178.49 1jtb h SER 71 N 0.24 -0.49 -1.02 -2.05 0.87 -1.79 -2.61 113.55 106.70 1jtb h SER 71 Ca 0.36 -0.07 0.37 0.00 -1.23 0.00 0.00 61.79 61.22 1jtb h SER 71 Cb 0.57 0.13 -0.16 0.00 -0.44 0.00 0.00 62.40 62.50 1jtb h SER 71 CO -0.47 -0.07 0.57 0.50 -0.53 0.00 0.00 176.83 176.83 1jtb h LYS 72 N -1.06 0.16 -0.62 2.24 3.64 -0.05 -0.35 116.57 120.53 1jtb h LYS 72 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1jtb h LYS 72 Cb 0.54 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1jtb h LYS 72 CO 0.10 0.11 0.00 0.00 -2.27 0.00 0.00 179.45 177.38 1jtb n ASN 74 N 1.28 -3.48 -3.22 0.00 2.85 -0.14 -4.78 115.26 107.77 1jtb n ASN 74 Ca 0.21 0.24 -0.39 0.00 -0.11 0.00 0.00 54.58 54.52 1jtb n ASN 74 Cb 0.52 -3.00 0.02 0.00 1.24 0.00 0.00 39.78 38.56 1jtb n ASN 74 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1jtb n VAL 75 N -3.14 4.63 -0.03 3.44 3.14 -1.00 -4.94 118.33 120.43 1jtb n VAL 75 Ca -0.13 -5.15 0.00 0.00 -2.96 0.00 0.00 64.34 56.10 1jtb n VAL 75 Cb 0.58 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.97 1jtb n VAL 75 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1jtb n ASN 76 N -0.31 0.00 -3.89 6.55 6.94 -1.26 -4.80 115.26 118.49 1jtb n ASN 76 Ca 0.49 -0.03 -0.13 0.00 -0.02 0.00 0.00 54.58 54.88 1jtb n ASN 76 Cb 0.27 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.55 1jtb n ASN 76 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1jtb s VAL 77 N 0.06 0.12 -1.35 3.53 0.11 -1.26 -5.06 120.40 116.55 1jtb s VAL 77 Ca 0.00 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.90 1jtb s VAL 77 Cb 0.00 -0.12 0.11 0.00 -1.53 0.00 0.00 36.38 34.84 1jtb s VAL 77 CO 0.00 0.04 2.08 -0.81 -3.33 0.00 0.00 175.10 173.08 1jtb n PRO 78 N 3.15 3.51 -4.36 1.54 -0.04 -1.26 -4.83 135.00 132.71 1jtb n PRO 78 Ca -0.14 -3.20 -0.34 0.00 -0.04 0.00 0.00 63.50 59.78 1jtb n PRO 78 Cb 0.59 -2.99 -0.11 0.00 -0.04 0.00 0.00 33.50 30.95 1jtb n PRO 78 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1jtb s TYR 79 N 1.10 3.11 0.00 0.54 6.14 -1.26 -4.87 117.35 122.11 1jtb s TYR 79 Ca 0.44 0.00 0.00 0.00 0.64 0.00 0.00 57.07 58.16 1jtb s TYR 79 Cb 0.12 -1.87 0.00 0.00 0.42 0.00 0.00 41.96 40.63 1jtb s TYR 79 CO -0.03 0.25 0.00 2.41 0.64 0.00 0.00 175.55 178.82 1jtb n THR 80 N 2.78 0.00 -1.33 4.34 -1.04 -1.26 -4.85 114.28 112.92 1jtb n THR 80 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1jtb n THR 80 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1jtb n THR 80 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1jtb n ILE 81 N 0.00 0.00 -4.60 12.58 2.08 -1.26 -4.89 119.36 123.27 1jtb n ILE 81 Ca 0.00 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.08 1jtb n ILE 81 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 38.74 1jtb n ILE 81 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1jtb s SER 82 N -0.97 1.82 0.10 4.38 0.01 -1.26 -4.83 113.70 112.95 1jtb s SER 82 Ca 0.00 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 1jtb s SER 82 Cb 0.00 -0.17 -0.12 0.00 0.21 0.00 0.00 66.02 65.94 1jtb s SER 82 CO 0.00 0.14 1.47 1.55 0.41 0.00 0.00 173.24 176.81 1jtb h PRO 83 N 5.44 -0.52 -1.44 12.44 0.13 -1.97 -1.79 132.00 144.28 1jtb h PRO 83 Ca -0.37 0.04 -0.65 0.00 -0.87 0.00 0.00 66.00 64.14 1jtb h PRO 83 Cb 1.16 0.12 -0.35 0.00 0.13 0.00 0.00 31.00 32.06 1jtb h PRO 83 CO 0.47 -0.35 0.08 -3.47 -0.23 0.00 0.00 178.00 174.50 1jtb n ASP 84 N -5.02 6.13 -1.22 1.44 -0.08 -1.26 -4.95 116.55 111.59 1jtb n ASP 84 Ca -0.06 -3.77 -0.16 0.00 -1.51 0.00 0.00 54.79 49.29 1jtb n ASP 84 Cb 0.33 -0.72 -0.02 0.00 2.34 0.00 0.00 41.12 43.06 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jtb n ILE 85 N -0.61 0.00 -3.88 5.18 0.13 -0.67 -5.00 119.36 114.50 1jtb n ILE 85 Ca 0.49 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.79 1jtb n ILE 85 Cb 0.58 -0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 39.32 1jtb n ILE 85 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1jtb s ASP 86 N 0.03 6.39 -0.33 9.51 2.15 -1.26 -4.79 116.67 128.37 1jtb s ASP 86 Ca 0.25 0.42 0.09 0.00 0.43 0.00 0.00 52.55 53.74 1jtb s ASP 86 Cb -0.35 -2.04 0.72 0.00 -0.30 0.00 0.00 42.92 40.96 1jtb s ASP 86 CO 0.16 0.33 1.79 0.00 -0.17 0.00 0.00 175.17 177.28 1jtb n SER 88 N -0.21 2.03 -2.92 0.00 2.88 -1.26 -4.64 113.62 109.51 1jtb n SER 88 Ca 0.42 -1.52 -0.24 0.00 -1.33 0.00 0.00 58.87 56.20 1jtb n SER 88 Cb 1.39 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 64.86 1jtb n SER 88 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1jtb n ARG 89 N 0.67 2.63 -3.18 -1.46 1.85 -1.26 -5.06 116.66 110.84 1jtb n ARG 89 Ca 0.07 -4.38 -0.14 0.00 -1.00 0.00 0.00 57.85 52.40 1jtb n ARG 89 Cb 0.32 -2.06 -0.03 0.00 -1.05 0.00 0.00 32.46 29.64 1jtb n ARG 89 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1jtb n ILE 90 N -0.15 0.00 -0.10 8.89 2.08 -1.26 -4.60 119.36 124.21 1jtb n ILE 90 Ca 0.30 -1.08 0.00 0.00 0.56 0.00 0.00 62.75 62.53 1jtb n ILE 90 Cb 0.52 0.24 0.00 0.00 -0.75 0.00 0.00 39.64 39.65 1jtb n ILE 90 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89