#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 -0.02 -3.72 1.96 6.94 -1.26 -0.67 115.26 118.50 1jtb n ASN 2 Ca 0.00 0.03 -0.41 0.00 -0.02 0.00 0.00 54.58 54.18 1jtb n ASN 2 Cb 0.00 -0.01 0.02 0.00 -2.36 0.00 0.00 39.78 37.43 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jtb n GLY 4 N 0.38 -0.13 0.41 0.00 0.00 0.16 -4.76 105.19 101.23 1jtb n GLY 4 Ca 0.43 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.72 1jtb n GLY 4 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jtb h GLN 5 N 0.00 0.29 -0.40 1.61 -0.00 -1.72 0.44 115.11 115.33 1jtb h GLN 5 Ca 0.00 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.71 1jtb h GLN 5 Cb 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 27.48 27.32 1jtb h GLN 5 CO 0.00 0.19 -0.27 0.28 0.00 0.00 0.00 178.83 179.04 1jtb h VAL 6 N 0.30 0.31 -0.57 2.39 2.07 -1.86 0.17 116.25 119.05 1jtb h VAL 6 Ca 0.69 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 68.13 1jtb h VAL 6 Cb 1.83 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1jtb h VAL 6 CO -0.40 0.00 0.06 -0.78 0.02 0.00 0.00 177.57 176.47 1jtb h ASP 7 N -0.20 0.91 -0.88 0.57 3.58 -0.47 0.54 116.42 120.47 1jtb h ASP 7 Ca 0.19 -0.22 0.16 0.00 0.42 0.00 0.00 57.03 57.58 1jtb h ASP 7 Cb 0.50 -0.24 -0.10 0.00 1.72 0.00 0.00 39.33 41.20 1jtb h ASP 7 CO -0.51 0.93 0.45 -1.28 -2.88 0.00 0.00 179.24 175.95 1jtb h SER 8 N 0.89 0.53 -0.01 2.28 0.87 -0.11 0.55 113.55 118.55 1jtb h SER 8 Ca 0.17 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1jtb h SER 8 Cb 0.44 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1jtb h SER 8 CO 0.02 0.19 -0.29 0.29 -0.53 0.00 0.00 176.83 176.50 1jtb n LYS 9 N -4.89 1.82 0.00 2.24 4.76 -0.20 -4.65 118.16 117.25 1jtb n LYS 9 Ca 0.19 -0.73 0.00 0.00 -2.87 0.00 0.00 58.31 54.90 1jtb n LYS 9 Cb 0.49 -1.20 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 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 -0.18 -0.20 -0.08 1.97 2.81 0.19 -0.42 117.12 121.21 1jtb n MET 10 Ca 0.06 -0.42 -0.06 0.00 -1.81 0.00 0.00 57.70 55.46 1jtb n MET 10 Cb 0.29 -0.79 -0.05 0.00 -0.71 0.00 0.00 33.22 31.96 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 0.00 -0.16 -0.21 0.03 1.63 -0.02 0.43 116.57 118.27 1jtb h LYS 11 Ca 0.00 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1jtb h LYS 11 Cb 0.29 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1jtb h LYS 11 CO 0.00 -0.11 0.54 -1.00 -3.45 0.00 0.00 179.45 175.43 1jtb h PRO 12 N -0.17 0.00 0.00 1.90 0.13 -1.84 0.14 132.00 132.16 1jtb h PRO 12 Ca 0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 1jtb h PRO 12 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 1jtb h PRO 12 CO -0.29 0.00 -0.39 0.00 -0.23 0.00 0.00 178.00 177.09 1jtb h LEU 14 N -1.00 -1.76 0.27 0.00 5.85 0.16 0.26 115.31 119.10 1jtb h LEU 14 Ca -0.10 0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1jtb h LEU 14 Cb 0.91 0.72 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1jtb h LEU 14 CO -0.06 -0.42 -0.25 0.71 -0.34 0.00 0.00 178.44 178.08 1jtb h THR 15 N -0.44 0.00 -0.57 1.05 1.35 -0.88 -1.43 112.91 111.99 1jtb h THR 15 Ca 0.07 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 66.03 1jtb h THR 15 Cb 0.62 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 66.94 1jtb h THR 15 CO -0.55 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 174.52 1jtb n TYR 16 N -3.87 0.07 0.03 4.73 9.36 -0.52 0.16 117.16 127.13 1jtb n TYR 16 Ca -0.06 0.70 -0.19 0.00 3.32 0.00 0.00 57.90 61.68 1jtb n TYR 16 Cb 0.23 -0.75 -0.09 0.00 -0.63 0.00 0.00 39.34 38.11 1jtb n TYR 16 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1jtb h VAL 17 N 0.00 1.29 0.00 2.97 -1.51 -0.27 -2.74 116.25 115.99 1jtb h VAL 17 Ca 0.22 -2.20 -0.02 0.00 -1.23 0.00 0.00 66.70 63.47 1jtb h VAL 17 Cb 0.36 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1jtb h VAL 17 CO -0.58 0.68 -0.09 0.06 -1.23 0.00 0.00 177.57 176.42 1jtb h GLN 18 N 0.41 0.00 0.00 5.19 3.07 0.14 0.32 115.11 124.24 1jtb h GLN 18 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.64 1jtb h GLN 18 Cb 1.61 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.17 1jtb h GLN 18 CO 0.19 0.09 0.00 0.41 0.09 0.00 0.00 178.83 179.61 1jtb n GLY 19 N -0.26 0.92 2.41 0.06 0.00 0.33 -4.36 105.19 104.29 1jtb n GLY 19 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 3.68 3.33 -0.02 0.00 0.12 -4.90 105.19 107.40 1jtb n GLY 20 Ca 0.00 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 1jtb n GLY 20 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jtb n PRO 21 N -0.78 -0.35 0.00 1.61 -0.02 -1.26 -2.89 135.00 131.31 1jtb n PRO 21 Ca -0.11 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1jtb n PRO 21 Cb 0.43 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1jtb n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jtb n GLY 22 N 1.92 0.68 0.17 -1.23 0.00 -1.26 -2.96 105.19 102.51 1jtb n GLY 22 Ca 0.05 -2.13 -0.17 0.00 0.00 0.00 0.00 46.02 43.76 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 1.50 0.52 -2.10 1.61 0.13 -1.91 -3.50 132.00 128.26 1jtb h PRO 23 Ca 0.00 -0.60 0.19 0.00 -0.87 0.00 0.00 66.00 64.72 1jtb h PRO 23 Cb 0.00 0.18 -0.07 0.00 0.13 0.00 0.00 31.00 31.24 1jtb h PRO 23 CO 0.00 1.23 -0.42 0.43 -0.23 0.00 0.00 178.00 179.00 1jtb n SER 24 N -3.77 -4.37 -0.34 1.44 7.64 -1.26 -0.40 113.62 112.56 1jtb n SER 24 Ca -0.09 0.48 0.30 0.00 1.01 0.00 0.00 58.87 60.56 1jtb n SER 24 Cb 0.89 -3.00 0.56 0.00 -1.01 0.00 0.00 64.21 61.65 1jtb n SER 24 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1jtb h GLY 25 N -1.11 2.10 0.80 0.23 0.00 -1.98 -0.94 103.07 102.18 1jtb h GLY 25 Ca -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1jtb h GLY 25 CO 0.02 -0.65 -0.46 1.05 0.00 0.00 0.00 176.54 176.50 1jtb h GLU 26 N 0.12 -1.07 -0.40 4.80 4.11 -2.00 0.23 114.58 120.38 1jtb h GLU 26 Ca 0.81 0.07 -0.09 0.00 0.07 0.00 0.00 59.36 60.22 1jtb h GLU 26 Cb 2.08 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.56 1jtb h GLU 26 CO -0.67 -0.71 -0.11 0.00 0.07 0.00 0.00 179.01 177.59 1jtb h ASN 29 N 0.42 0.72 0.38 0.00 7.08 -0.40 -0.53 115.58 123.25 1jtb h ASN 29 Ca 0.35 -0.42 -0.01 0.00 -3.08 0.00 0.00 56.30 53.14 1jtb h ASN 29 Cb 0.47 -0.20 -0.01 0.00 -2.08 0.00 0.00 38.32 36.50 1jtb h ASN 29 CO -0.35 0.98 -0.33 1.23 -2.08 0.00 0.00 177.43 176.88 1jtb h GLY 30 N 0.46 -1.06 -0.71 9.14 0.00 -0.26 0.12 103.07 110.75 1jtb h GLY 30 Ca 0.07 0.47 0.08 0.00 0.00 0.00 0.00 47.33 47.95 1jtb h GLY 30 CO 0.05 -0.34 -0.38 -0.62 0.00 0.00 0.00 176.54 175.25 1jtb n VAL 31 N -4.41 -0.46 0.25 4.60 0.31 0.18 0.32 118.33 119.11 1jtb n VAL 31 Ca -0.08 1.71 -0.16 0.00 -0.01 0.00 0.00 64.34 65.80 1jtb n VAL 31 Cb 0.31 -2.15 -0.08 0.00 -0.91 0.00 0.00 33.84 31.02 1jtb n VAL 31 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1jtb h ARG 32 N 0.00 -0.63 -0.25 5.55 1.12 -0.76 0.18 114.38 119.59 1jtb h ARG 32 Ca 0.15 0.04 0.04 0.00 -1.11 0.00 0.00 59.98 59.10 1jtb h ARG 32 Cb 0.33 0.14 -0.06 0.00 -0.01 0.00 0.00 29.97 30.37 1jtb h ARG 32 CO -0.68 -0.42 -0.47 0.22 -3.11 0.00 0.00 179.97 175.51 1jtb h ASP 33 N -0.65 -1.54 -0.99 -3.80 3.58 0.26 -0.23 116.42 113.06 1jtb h ASP 33 Ca -0.04 0.19 0.12 0.00 0.42 0.00 0.00 57.03 57.73 1jtb h ASP 33 Cb 0.55 0.62 -0.14 0.00 1.72 0.00 0.00 39.33 42.07 1jtb h ASP 33 CO 0.03 -0.37 -0.47 0.18 -2.88 0.00 0.00 179.24 175.73 1jtb n LEU 34 N -4.97 -0.82 -0.25 2.28 7.99 0.13 0.24 117.00 121.60 1jtb n LEU 34 Ca -0.04 1.74 0.05 0.00 -0.01 0.00 0.00 56.01 57.74 1jtb n LEU 34 Cb 0.30 -0.32 0.17 0.00 -0.11 0.00 0.00 43.42 43.46 1jtb n LEU 34 CO 0.03 -1.50 0.99 -0.74 -1.51 0.00 0.00 177.39 174.66 1jtb h HIS 35 N 0.00 0.43 0.07 -1.77 2.76 0.12 0.29 115.15 117.04 1jtb h HIS 35 Ca 0.26 0.04 -0.27 0.00 -2.20 0.00 0.00 60.37 58.20 1jtb h HIS 35 Cb 0.51 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.38 1jtb h HIS 35 CO -0.93 0.02 -1.30 -0.97 -1.30 0.00 0.00 177.93 173.45 1jtb h ASN 36 N 0.39 0.23 0.29 3.26 -0.00 0.11 -3.35 115.58 116.50 1jtb h ASN 36 Ca 0.40 -0.28 -0.27 0.00 -0.00 0.00 0.00 56.30 56.14 1jtb h ASN 36 Cb 0.62 -0.07 0.02 0.00 -0.00 0.00 0.00 38.32 38.88 1jtb h ASN 36 CO -0.42 1.23 -1.15 1.56 -0.00 0.00 0.00 177.43 178.65 1jtb h GLN 37 N 0.04 0.49 -0.69 6.67 1.08 0.04 -3.23 115.11 119.51 1jtb h GLN 37 Ca -0.14 -0.64 0.00 0.00 -1.45 0.00 0.00 58.65 56.42 1jtb h GLN 37 Cb 1.93 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 29.56 1jtb h GLN 37 CO 0.15 1.26 0.00 0.00 -0.95 0.00 0.00 178.83 179.30 1jtb n ALA 38 N -2.61 2.35 -2.81 3.87 0.00 0.10 -3.37 120.51 118.04 1jtb n ALA 38 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1jtb n ALA 38 Cb 0.94 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 1jtb n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jtb n GLN 39 N -0.07 2.01 -0.05 0.00 10.64 -1.22 -1.16 117.38 127.53 1jtb n GLN 39 Ca 0.00 -3.87 -0.12 0.00 -1.83 0.00 0.00 57.00 51.18 1jtb n GLN 39 Cb 0.17 -1.78 -0.04 0.00 -0.86 0.00 0.00 30.24 27.73 1jtb n GLN 39 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1jtb n SER 40 N -0.10 0.94 -0.02 2.61 7.64 -1.22 -4.77 113.62 118.70 1jtb n SER 40 Ca 0.24 0.16 0.01 0.00 1.01 0.00 0.00 58.87 60.29 1jtb n SER 40 Cb 0.66 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.47 1jtb n SER 40 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1jtb n SER 41 N -3.60 0.35 0.00 6.43 7.64 -1.26 -4.96 113.62 118.22 1jtb n SER 41 Ca -0.22 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1jtb n SER 41 Cb 0.61 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.58 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 0.84 1.16 0.00 0.23 0.00 -1.26 -5.02 105.19 101.14 1jtb n GLY 42 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.34 1.61 9.92 -1.14 -1.11 116.55 125.50 1jtb n ASP 43 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 1jtb n ASP 43 Cb 0.00 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 1jtb n ASP 43 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1jtb h ARG 44 N 0.00 0.00 0.00 -1.24 3.08 -1.53 0.91 114.38 115.60 1jtb h ARG 44 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jtb h ARG 44 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1jtb h ARG 44 CO 0.00 0.00 0.02 1.96 -1.07 0.00 0.00 179.97 180.88 1jtb h GLN 45 N 0.00 0.00 0.00 0.04 4.20 -1.34 -0.89 115.11 117.13 1jtb h GLN 45 Ca 0.46 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.96 1jtb h GLN 45 Cb 0.70 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1jtb h GLN 45 CO -0.97 0.00 -1.09 1.15 -0.67 0.00 0.00 178.83 177.25 1jtb h THR 46 N 0.00 1.04 -0.91 -0.54 2.02 0.51 -3.32 112.91 111.70 1jtb h THR 46 Ca 0.00 -2.21 0.25 0.00 0.77 0.00 0.00 66.41 65.22 1jtb h THR 46 Cb 0.03 2.41 -0.14 0.00 -1.74 0.00 0.00 68.15 68.71 1jtb h THR 46 CO 0.00 0.37 0.38 1.62 0.37 0.00 0.00 175.52 178.26 1jtb h VAL 47 N -0.97 0.39 -1.01 3.16 3.04 0.04 0.63 116.25 121.53 1jtb h VAL 47 Ca -0.30 -0.11 0.25 0.00 -1.01 0.00 0.00 66.70 65.53 1jtb h VAL 47 Cb 1.28 0.03 -0.12 0.00 -2.01 0.00 0.00 31.29 30.48 1jtb h VAL 47 CO -0.17 0.06 0.61 0.00 -1.01 0.00 0.00 177.57 177.06 1jtb h ASN 49 N 0.55 0.70 -0.69 0.00 -0.26 0.13 0.16 115.58 116.16 1jtb h ASN 49 Ca 0.64 -0.49 0.11 0.00 -0.56 0.00 0.00 56.30 56.00 1jtb h ASN 49 Cb 1.28 -0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 38.26 1jtb h ASN 49 CO -0.44 1.05 0.29 0.00 -1.06 0.00 0.00 177.43 177.27 1jtb h LEU 51 N 0.48 -1.14 -0.87 0.00 3.38 0.40 0.41 115.31 117.97 1jtb h LEU 51 Ca 0.36 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.59 1jtb h LEU 51 Cb 0.46 0.31 -0.16 0.00 0.09 0.00 0.00 40.66 41.36 1jtb h LEU 51 CO -0.33 -0.76 -0.08 0.29 0.09 0.00 0.00 178.44 177.65 1jtb n LYS 52 N -5.63 -0.07 -0.04 1.13 4.76 0.49 0.20 118.16 119.00 1jtb n LYS 52 Ca -0.16 1.33 -0.11 0.00 -2.87 0.00 0.00 58.31 56.50 1jtb n LYS 52 Cb 0.50 -2.06 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 1jtb n LYS 52 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1jtb h GLY 53 N 0.00 0.24 -0.16 0.72 0.00 -0.12 -2.16 103.07 101.58 1jtb h GLY 53 Ca 0.48 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1jtb h GLY 53 CO -0.85 0.13 -0.36 1.19 0.00 0.00 0.00 176.54 176.64 1jtb h ILE 54 N 0.08 0.00 -0.82 2.60 2.10 0.68 -1.93 117.51 120.22 1jtb h ILE 54 Ca 0.05 0.00 0.19 0.00 1.08 0.00 0.00 64.86 66.18 1jtb h ILE 54 Cb 0.19 0.00 -0.15 0.00 -1.09 0.00 0.00 36.82 35.77 1jtb h ILE 54 CO -0.00 0.00 -0.03 0.00 -1.08 0.00 0.00 178.15 177.03 1jtb h ALA 55 N -0.60 0.81 0.00 0.18 0.00 -1.08 -2.69 119.26 115.88 1jtb h ALA 55 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jtb h ALA 55 Cb 0.42 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jtb h ALA 55 CO -0.33 -0.45 0.00 -2.13 0.00 0.00 0.00 179.25 176.34 1jtb n ARG 56 N -5.41 0.00 0.00 0.00 3.00 -0.72 -2.63 116.66 110.90 1jtb n ARG 56 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1jtb n ARG 56 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1jtb n ARG 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jtb n GLY 57 N -0.72 0.00 0.00 5.14 0.00 -1.18 -5.01 105.19 103.42 1jtb n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.76 0.00 0.00 -0.61 5.41 -1.02 -4.90 119.36 116.47 1jtb n ILE 58 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1jtb n ILE 58 Cb 0.36 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.29 1jtb n ILE 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1jtb n HIS 59 N 0.00 0.00 -1.63 1.39 -0.00 -1.26 -4.90 115.22 108.82 1jtb n HIS 59 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 1jtb n HIS 59 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 1jtb n HIS 59 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1jtb n ASN 60 N 0.50 5.29 -1.36 0.26 4.13 -1.26 -4.93 115.26 117.88 1jtb n ASN 60 Ca 0.00 -2.77 -0.18 0.00 1.68 0.00 0.00 54.58 53.30 1jtb n ASN 60 Cb 0.00 -1.63 -0.03 0.00 -1.54 0.00 0.00 39.78 36.59 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1jtb n LEU 61 N 5.31 0.11 -3.31 3.41 7.94 -1.26 -4.86 117.00 124.35 1jtb n LEU 61 Ca 0.59 0.35 -0.36 0.00 -1.11 0.00 0.00 56.01 55.48 1jtb n LEU 61 Cb 0.34 -0.27 0.01 0.00 0.53 0.00 0.00 43.42 44.03 1jtb n LEU 61 CO 0.89 -0.47 1.04 -3.20 -1.11 0.00 0.00 177.39 174.54 1jtb n ASN 62 N 0.69 6.49 -0.30 1.96 4.05 0.11 -4.88 115.26 123.38 1jtb n ASN 62 Ca 0.07 -3.71 0.02 0.00 0.45 0.00 0.00 54.58 51.41 1jtb n ASN 62 Cb 0.01 -0.96 0.07 0.00 1.23 0.00 0.00 39.78 40.13 1jtb n ASN 62 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1jtb n LEU 63 N -0.19 -0.41 -0.52 1.20 -0.00 -1.26 0.24 117.00 116.05 1jtb n LEU 63 Ca 0.43 1.39 0.44 0.00 -0.00 0.00 0.00 56.01 58.27 1jtb n LEU 63 Cb 0.31 -0.36 0.77 0.00 -0.00 0.00 0.00 43.42 44.14 1jtb n LEU 63 CO 0.46 -1.28 1.40 0.78 -0.00 0.00 0.00 177.39 178.74 1jtb h ASN 64 N 0.00 0.04 0.06 1.96 4.21 -1.96 0.58 115.58 120.47 1jtb h ASN 64 Ca 0.33 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.85 1jtb h ASN 64 Cb 0.53 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1jtb h ASN 64 CO -0.81 -0.02 -0.03 -1.13 -1.29 0.00 0.00 177.43 174.16 1jtb h ASN 65 N 0.02 -0.07 -0.83 5.81 -1.24 -0.59 -3.19 115.58 115.49 1jtb h ASN 65 Ca 0.77 -0.56 0.14 0.00 0.71 0.00 0.00 56.30 57.36 1jtb h ASN 65 Cb 3.00 0.02 -0.09 0.00 0.73 0.00 0.00 38.32 41.98 1jtb h ASN 65 CO -0.06 0.59 0.41 0.00 -1.29 0.00 0.00 177.43 177.09 1jtb h ALA 66 N -0.05 1.22 -0.33 1.57 0.00 0.06 0.37 119.26 122.11 1jtb h ALA 66 Ca -0.01 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1jtb h ALA 66 Cb 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1jtb h ALA 66 CO 0.01 -0.09 0.60 0.00 0.00 0.00 0.00 179.25 179.77 1jtb h ALA 67 N 1.54 1.98 0.00 0.00 0.00 -0.77 0.23 119.26 122.24 1jtb h ALA 67 Ca 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1jtb h ALA 67 Cb 0.62 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1jtb h ALA 67 CO -0.36 -0.77 -1.65 0.45 0.00 0.00 0.00 179.25 176.93 1jtb n SER 68 N -3.22 0.30 -0.14 0.00 2.88 0.11 -4.49 113.62 109.06 1jtb n SER 68 Ca 0.06 0.12 -0.08 0.00 -1.33 0.00 0.00 58.87 57.64 1jtb n SER 68 Cb 0.73 1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 65.61 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 -0.77 2.46 2.04 -0.45 -1.96 117.51 119.00 1jtb h ILE 69 Ca -0.00 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.04 1jtb h ILE 69 Cb 1.01 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1jtb h ILE 69 CO 0.00 0.00 0.53 -0.65 0.00 0.00 0.00 178.15 178.03 1jtb h PRO 70 N -0.27 0.23 0.10 2.37 0.11 -1.79 0.16 132.00 132.91 1jtb h PRO 70 Ca 0.17 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1jtb h PRO 70 Cb 0.56 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1jtb h PRO 70 CO -0.58 0.15 -0.05 0.66 -0.21 0.00 0.00 178.00 177.98 1jtb h SER 71 N 0.24 -0.11 -0.98 -2.05 4.64 -1.70 -2.56 113.55 111.03 1jtb h SER 71 Ca 0.38 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.95 1jtb h SER 71 Cb 1.14 0.03 -0.18 0.00 -0.31 0.00 0.00 62.40 63.08 1jtb h SER 71 CO -0.09 0.25 -0.08 1.17 -0.87 0.00 0.00 176.83 177.22 1jtb n LYS 72 N -4.19 -0.08 -1.05 4.77 4.81 -0.69 -0.64 118.16 121.09 1jtb n LYS 72 Ca -0.02 1.48 -0.15 0.00 -0.87 0.00 0.00 58.31 58.76 1jtb n LYS 72 Cb 0.05 -2.31 0.21 0.00 0.02 0.00 0.00 35.03 33.01 1jtb n LYS 72 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jtb n ASN 74 N -0.64 0.00 -2.10 0.00 5.15 0.18 -4.63 115.26 113.22 1jtb n ASN 74 Ca 0.48 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.19 1jtb n ASN 74 Cb 1.47 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 40.75 1jtb n ASN 74 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1jtb n VAL 75 N -0.71 2.80 0.00 3.44 3.14 -0.99 -4.92 118.33 121.09 1jtb n VAL 75 Ca 0.00 -3.92 0.00 0.00 -2.96 0.00 0.00 64.34 57.46 1jtb n VAL 75 Cb 0.00 -1.15 0.00 0.00 -1.06 0.00 0.00 33.84 31.63 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 -0.76 0.00 -4.69 6.55 6.94 -1.26 -4.83 115.26 117.21 1jtb n ASN 76 Ca 0.49 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.72 1jtb n ASN 76 Cb 0.89 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 38.44 1jtb n ASN 76 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1jtb s VAL 77 N 0.00 2.08 -0.18 3.53 -7.23 -1.26 -4.94 120.40 112.40 1jtb s VAL 77 Ca 0.00 0.03 -0.16 0.00 -1.81 0.00 0.00 61.98 60.04 1jtb s VAL 77 Cb 0.00 -2.36 -0.21 0.00 0.56 0.00 0.00 36.38 34.37 1jtb s VAL 77 CO 0.00 -0.03 0.24 -0.81 -0.31 0.00 0.00 175.10 174.19 1jtb n PRO 78 N -3.49 0.63 0.00 4.82 -0.04 -1.26 -5.07 135.00 130.59 1jtb n PRO 78 Ca 0.13 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1jtb n PRO 78 Cb 0.51 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1jtb n PRO 78 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1jtb n TYR 79 N -4.11 0.00 -1.04 0.54 9.36 -1.26 -4.69 117.16 115.95 1jtb n TYR 79 Ca -0.33 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.55 1jtb n TYR 79 Cb 0.81 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.51 1jtb n TYR 79 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1jtb n THR 80 N 0.00 0.82 -2.60 2.97 -1.04 -1.26 -4.87 114.28 108.29 1jtb n THR 80 Ca 0.00 -0.39 -0.19 0.00 -2.04 0.00 0.00 64.05 61.43 1jtb n THR 80 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 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 -0.56 1.73 -4.30 12.58 2.08 -1.26 -5.06 119.36 124.57 1jtb n ILE 81 Ca 0.10 -4.17 -0.24 0.00 0.56 0.00 0.00 62.75 59.01 1jtb n ILE 81 Cb 0.28 -0.43 -0.08 0.00 -0.75 0.00 0.00 39.64 38.66 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 -3.32 4.33 0.30 4.38 0.01 -1.26 -4.78 113.70 113.37 1jtb s SER 82 Ca 0.39 -0.82 -0.27 0.00 1.31 0.00 0.00 55.95 56.56 1jtb s SER 82 Cb 0.42 -0.66 -0.14 0.00 0.21 0.00 0.00 66.02 65.84 1jtb s SER 82 CO -0.09 -0.12 0.80 -2.65 0.41 0.00 0.00 173.24 171.59 1jtb n PRO 83 N -0.92 0.87 -3.19 12.44 -0.02 -1.26 -2.04 135.00 140.88 1jtb n PRO 83 Ca -0.05 0.31 -0.23 0.00 -2.02 0.00 0.00 63.50 61.51 1jtb n PRO 83 Cb 0.61 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 1jtb n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jtb n ASP 84 N 1.39 -0.86 0.00 2.55 2.03 -1.26 -4.47 116.55 115.93 1jtb n ASP 84 Ca 0.12 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 54.75 1jtb n ASP 84 Cb 0.32 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jtb n ILE 85 N -2.49 0.00 -1.23 5.18 0.00 -0.87 -4.71 119.36 115.24 1jtb n ILE 85 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 62.75 62.44 1jtb n ILE 85 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 39.64 39.87 1jtb n ILE 85 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1jtb n ASP 86 N 0.00 6.22 0.00 9.51 -0.08 -1.26 -4.82 116.55 126.12 1jtb n ASP 86 Ca 0.00 -2.57 0.00 0.00 -1.51 0.00 0.00 54.79 50.71 1jtb n ASP 86 Cb 0.00 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.04 1jtb n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jtb n SER 88 N -0.17 0.59 -3.90 0.00 2.88 -1.26 -4.41 113.62 107.35 1jtb n SER 88 Ca 0.00 0.06 -0.41 0.00 -1.33 0.00 0.00 58.87 57.19 1jtb n SER 88 Cb 0.00 0.87 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 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 -2.31 4.40 -4.55 -1.46 1.85 -0.31 -4.95 116.66 109.33 1jtb n ARG 89 Ca 0.00 -4.58 -0.31 0.00 -1.00 0.00 0.00 57.85 51.96 1jtb n ARG 89 Cb 0.51 -2.48 -0.07 0.00 -1.05 0.00 0.00 32.46 29.37 1jtb n ARG 89 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1jtb s ILE 90 N -2.95 1.42 0.00 8.89 1.01 -1.26 -4.70 121.20 123.61 1jtb s ILE 90 Ca 0.33 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1jtb s ILE 90 Cb 0.07 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1jtb s ILE 90 CO 0.07 0.00 0.00 -1.22 0.00 0.00 0.00 174.94 173.79