#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 0.00 -0.08 1.96 5.15 -1.26 -5.01 115.26 116.02 1jtb n ASN 2 Ca 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 1jtb n ASN 2 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jtb n GLY 4 N 2.53 0.00 0.32 0.00 0.00 -1.26 -0.01 105.19 106.77 1jtb n GLY 4 Ca -0.29 0.00 0.21 0.00 0.00 0.00 0.00 46.02 45.94 1jtb n GLY 4 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jtb h GLN 5 N 0.00 0.17 -0.25 1.61 4.20 -1.98 -0.48 115.11 118.39 1jtb h GLN 5 Ca 0.00 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1jtb h GLN 5 Cb 0.00 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1jtb h GLN 5 CO 0.00 0.11 -0.15 0.28 -0.67 0.00 0.00 178.83 178.41 1jtb n VAL 6 N -5.21 -0.17 0.32 -0.54 0.31 0.98 -0.11 118.33 113.92 1jtb n VAL 6 Ca 0.29 1.46 -0.18 0.00 -0.01 0.00 0.00 64.34 65.90 1jtb n VAL 6 Cb 0.92 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.88 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 -1.07 -1.24 4.52 3.58 -1.31 0.20 116.42 121.10 1jtb h ASP 7 Ca 0.04 0.07 0.36 0.00 0.42 0.00 0.00 57.03 57.92 1jtb h ASP 7 Cb 0.10 0.33 -0.07 0.00 1.72 0.00 0.00 39.33 41.42 1jtb h ASP 7 CO -0.23 -0.61 0.86 -1.28 -2.88 0.00 0.00 179.24 175.10 1jtb h SER 8 N -0.94 0.14 0.00 2.28 0.87 -0.56 0.34 113.55 115.67 1jtb h SER 8 Ca -0.06 0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.31 1jtb h SER 8 Cb 0.79 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.73 1jtb h SER 8 CO 0.02 0.00 -1.82 0.29 -0.53 0.00 0.00 176.83 174.79 1jtb n LYS 9 N -4.32 1.88 0.00 2.24 4.76 0.85 -4.71 118.16 118.86 1jtb n LYS 9 Ca 0.28 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.80 1jtb n LYS 9 Cb 1.25 -1.30 0.01 0.00 -1.84 0.00 0.00 35.03 33.14 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 -2.49 1.66 -0.30 1.97 2.81 0.68 -4.70 117.12 116.75 1jtb n MET 10 Ca -0.20 -0.85 -0.08 0.00 -1.81 0.00 0.00 57.70 54.75 1jtb n MET 10 Cb 0.88 -1.21 -0.05 0.00 -0.71 0.00 0.00 33.22 32.13 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 1.77 -0.12 -0.82 0.03 1.63 -0.40 0.84 116.57 119.49 1jtb h LYS 11 Ca 0.00 0.01 0.24 0.00 -0.85 0.00 0.00 60.65 60.05 1jtb h LYS 11 Cb 0.49 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1jtb h LYS 11 CO 0.00 -0.08 0.86 -1.00 -3.45 0.00 0.00 179.45 175.77 1jtb h PRO 12 N -0.13 0.00 0.14 1.90 0.13 -1.83 0.29 132.00 132.50 1jtb h PRO 12 Ca 0.19 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.97 1jtb h PRO 12 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1jtb h PRO 12 CO -0.82 0.00 -1.90 0.00 -0.23 0.00 0.00 178.00 175.05 1jtb h LEU 14 N 0.08 -0.10 -0.49 0.00 5.85 0.55 -1.64 115.31 119.56 1jtb h LEU 14 Ca -0.39 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.33 1jtb h LEU 14 Cb 2.05 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 43.01 1jtb h LEU 14 CO 0.12 0.03 -0.25 0.74 -0.34 0.00 0.00 178.44 178.73 1jtb h THR 15 N -0.22 0.30 -0.74 1.05 2.02 -0.57 0.23 112.91 114.98 1jtb h THR 15 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 1jtb h THR 15 Cb 0.19 0.30 -0.14 0.00 -1.74 0.00 0.00 68.15 66.76 1jtb h THR 15 CO 0.02 0.00 -0.25 0.22 0.37 0.00 0.00 175.52 175.88 1jtb h TYR 16 N -0.14 -0.63 -0.04 3.16 3.20 -0.73 0.13 116.97 121.92 1jtb h TYR 16 Ca 0.22 0.07 -0.25 0.00 3.14 0.00 0.00 58.73 61.92 1jtb h TYR 16 Cb 0.49 0.39 0.01 0.00 1.54 0.00 0.00 36.73 39.17 1jtb h TYR 16 CO -0.52 -0.36 -0.95 -0.39 -1.64 0.00 0.00 178.16 174.30 1jtb h VAL 17 N -0.05 1.31 -0.17 1.81 -1.51 0.27 -3.14 116.25 114.77 1jtb h VAL 17 Ca 0.33 -2.22 -0.02 0.00 -1.23 0.00 0.00 66.70 63.55 1jtb h VAL 17 Cb 0.57 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1jtb h VAL 17 CO -0.78 0.69 -0.00 0.06 -1.23 0.00 0.00 177.57 176.30 1jtb h GLN 18 N 0.39 0.24 0.00 5.19 3.07 -0.45 0.24 115.11 123.79 1jtb h GLN 18 Ca -0.10 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.61 1jtb h GLN 18 Cb 1.59 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 29.11 1jtb h GLN 18 CO 0.18 0.27 0.00 0.41 0.09 0.00 0.00 178.83 179.78 1jtb n GLY 19 N -1.19 1.68 0.00 0.06 0.00 0.22 -1.14 105.19 104.83 1jtb n GLY 19 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.21 4.62 1.84 -0.02 0.00 0.15 -5.00 105.19 106.58 1jtb n GLY 20 Ca 0.00 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 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 0.00 0.00 0.00 1.61 -0.02 -1.26 -3.94 135.00 131.39 1jtb n PRO 21 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1jtb n PRO 21 Cb 0.00 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 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 3.85 2.90 0.09 -1.23 0.00 -1.26 -4.32 105.19 105.21 1jtb n GLY 22 Ca 0.33 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 0.00 0.00 1.61 0.13 -1.87 -3.42 132.00 128.45 1jtb h PRO 23 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1jtb h PRO 23 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1jtb h PRO 23 CO 0.00 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.20 1jtb n SER 24 N -2.29 0.00 0.00 1.44 7.64 -1.26 -2.06 113.62 117.09 1jtb n SER 24 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1jtb n SER 24 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.00 3.39 0.30 0.23 0.00 -1.26 -4.94 105.19 102.91 1jtb n GLY 25 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 0.30 -0.08 1.61 4.11 -2.00 0.14 114.58 118.66 1jtb h GLU 26 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1jtb h GLU 26 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1jtb h GLU 26 CO 0.00 0.20 0.01 0.00 0.07 0.00 0.00 179.01 179.29 1jtb h ASN 29 N 0.37 0.32 -0.56 0.00 7.08 -1.27 -1.57 115.58 119.96 1jtb h ASN 29 Ca 0.48 -0.68 0.11 0.00 -3.08 0.00 0.00 56.30 53.12 1jtb h ASN 29 Cb 0.83 -0.09 -0.11 0.00 -2.08 0.00 0.00 38.32 36.87 1jtb h ASN 29 CO -0.49 0.95 -0.28 1.23 -2.08 0.00 0.00 177.43 176.76 1jtb h GLY 30 N -0.29 0.04 -0.20 9.14 0.00 0.37 -0.83 103.07 111.30 1jtb h GLY 30 Ca -0.02 0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.73 1jtb h GLY 30 CO 0.06 -0.22 -0.43 -2.08 0.00 0.00 0.00 176.54 173.87 1jtb h VAL 31 N -0.14 0.12 -0.39 4.60 2.07 -0.15 0.43 116.25 122.79 1jtb h VAL 31 Ca 0.24 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.84 1jtb h VAL 31 Cb 0.52 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.33 1jtb h VAL 31 CO -0.64 0.00 -0.20 -0.09 0.02 0.00 0.00 177.57 176.66 1jtb h ARG 32 N -0.37 -0.13 0.49 1.57 1.12 -0.14 0.23 114.38 117.15 1jtb h ARG 32 Ca 0.12 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.98 1jtb h ARG 32 Cb 0.59 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 1jtb h ARG 32 CO -0.52 -0.08 -0.36 -0.44 -3.11 0.00 0.00 179.97 175.46 1jtb h ASP 33 N -0.13 -0.94 -0.59 -3.80 5.19 -0.06 -0.08 116.42 116.01 1jtb h ASP 33 Ca 0.19 0.06 0.06 0.00 -0.62 0.00 0.00 57.03 56.73 1jtb h ASP 33 Cb 0.43 0.29 -0.08 0.00 0.18 0.00 0.00 39.33 40.15 1jtb h ASP 33 CO -0.47 -0.52 -0.31 0.18 -3.12 0.00 0.00 179.24 174.99 1jtb n LEU 34 N -4.60 -0.56 -0.14 1.55 7.99 0.14 0.24 117.00 121.62 1jtb n LEU 34 Ca -0.10 1.04 -0.04 0.00 -0.01 0.00 0.00 56.01 56.90 1jtb n LEU 34 Cb 0.35 -0.16 0.02 0.00 -0.11 0.00 0.00 43.42 43.52 1jtb n LEU 34 CO 0.23 -0.87 0.76 -0.74 -1.51 0.00 0.00 177.39 175.25 1jtb h HIS 35 N 0.00 -0.32 -0.32 -1.77 -0.00 0.03 0.46 115.15 113.24 1jtb h HIS 35 Ca 0.13 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 1jtb h HIS 35 Cb 0.27 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1jtb h HIS 35 CO -0.58 -0.22 0.00 -1.71 -0.00 0.00 0.00 177.93 175.42 1jtb n ASN 36 N -5.35 3.09 -0.02 3.26 4.05 0.66 -3.87 115.26 117.08 1jtb n ASN 36 Ca 0.03 -2.35 -0.03 0.00 0.45 0.00 0.00 54.58 52.68 1jtb n ASN 36 Cb 0.26 -0.51 -0.01 0.00 1.23 0.00 0.00 39.78 40.75 1jtb n ASN 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jtb n GLN 37 N 0.41 0.08 -0.39 1.20 1.13 0.34 -4.75 117.38 115.40 1jtb n GLN 37 Ca 0.14 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1jtb n GLN 37 Cb 0.63 -0.88 0.00 0.00 0.11 0.00 0.00 30.24 30.10 1jtb n GLN 37 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jtb n ALA 38 N -2.83 3.59 -2.70 -1.58 0.00 0.14 -4.15 120.51 112.97 1jtb n ALA 38 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 1jtb n ALA 38 Cb 0.56 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 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 1.40 3.09 -0.06 0.00 1.13 -1.26 -4.25 117.38 117.44 1jtb n GLN 39 Ca 0.00 -4.51 -0.11 0.00 -1.94 0.00 0.00 57.00 50.44 1jtb n GLN 39 Cb 0.46 -2.15 -0.04 0.00 0.11 0.00 0.00 30.24 28.61 1jtb n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1jtb n SER 40 N -0.33 1.42 0.00 1.08 3.41 -1.26 -5.06 113.62 112.88 1jtb n SER 40 Ca 0.33 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1jtb n SER 40 Cb 0.57 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1jtb n SER 40 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jtb n SER 41 N -3.33 0.00 -0.04 4.04 3.41 -1.26 -5.00 113.62 111.44 1jtb n SER 41 Ca -0.22 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.42 1jtb n SER 41 Cb 0.67 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.65 1jtb n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jtb n GLY 42 N 0.00 2.67 0.00 5.00 0.00 -1.26 -4.93 105.19 106.67 1jtb n GLY 42 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.65 0.00 -0.24 1.61 9.92 -1.26 0.44 116.55 126.37 1jtb n ASP 43 Ca 0.04 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.26 1jtb n ASP 43 Cb 0.39 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.85 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 -2.04 -0.20 -0.34 -1.24 3.00 -1.26 0.68 116.66 115.26 1jtb n ARG 44 Ca 0.00 0.90 0.22 0.00 -0.01 0.00 0.00 57.85 58.96 1jtb n ARG 44 Cb 0.00 -1.33 0.45 0.00 0.00 0.00 0.00 32.46 31.57 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 0.40 -0.02 5.56 4.20 -0.41 0.50 115.11 125.33 1jtb h GLN 45 Ca 0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1jtb h GLN 45 Cb 0.29 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 1jtb h GLN 45 CO -0.57 0.26 -0.03 1.15 -0.67 0.00 0.00 178.83 178.97 1jtb h THR 46 N 0.41 1.43 -0.75 -0.54 2.02 0.14 -3.14 112.91 112.49 1jtb h THR 46 Ca 0.70 -1.32 0.16 0.00 0.77 0.00 0.00 66.41 66.73 1jtb h THR 46 Cb 1.53 2.28 -0.11 0.00 -1.74 0.00 0.00 68.15 70.11 1jtb h THR 46 CO -0.56 0.35 0.20 0.58 0.37 0.00 0.00 175.52 176.46 1jtb h VAL 47 N -0.48 0.53 -0.63 3.16 2.07 0.33 -1.27 116.25 119.95 1jtb h VAL 47 Ca 0.00 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1jtb h VAL 47 Cb 0.58 0.21 -0.10 0.00 -1.52 0.00 0.00 31.29 30.46 1jtb h VAL 47 CO 0.01 0.05 -0.51 0.00 0.02 0.00 0.00 177.57 177.14 1jtb h ASN 49 N -0.23 0.52 0.15 0.00 2.35 -1.21 0.17 115.58 117.34 1jtb h ASN 49 Ca 0.15 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1jtb h ASN 49 Cb 0.54 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1jtb h ASN 49 CO -0.73 0.29 -0.20 0.00 -1.65 0.00 0.00 177.43 175.14 1jtb h LEU 51 N -0.41 -0.63 -0.95 0.00 3.38 0.80 0.16 115.31 117.65 1jtb h LEU 51 Ca 0.01 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1jtb h LEU 51 Cb 0.41 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 1jtb h LEU 51 CO -0.08 -0.13 -0.56 0.29 0.09 0.00 0.00 178.44 178.05 1jtb n LYS 52 N -3.61 -0.42 -0.28 1.13 5.02 0.44 0.49 118.16 120.94 1jtb n LYS 52 Ca -0.01 1.46 -0.05 0.00 -2.02 0.00 0.00 58.31 57.68 1jtb n LYS 52 Cb 0.11 -2.14 0.08 0.00 -0.02 0.00 0.00 35.03 33.06 1jtb n LYS 52 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1jtb h GLY 53 N 0.00 1.25 0.20 0.72 0.00 -0.24 0.59 103.07 105.59 1jtb h GLY 53 Ca 0.15 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1jtb h GLY 53 CO -0.90 0.63 -0.05 1.19 0.00 0.00 0.00 176.54 177.41 1jtb h ILE 54 N 1.14 0.71 -0.89 2.60 -0.00 -0.21 -3.27 117.51 117.59 1jtb h ILE 54 Ca 0.26 -1.27 0.17 0.00 -0.00 0.00 0.00 64.86 64.01 1jtb h ILE 54 Cb 0.21 1.27 -0.16 0.00 -0.00 0.00 0.00 36.82 38.14 1jtb h ILE 54 CO -0.02 0.21 -0.26 0.00 -0.00 0.00 0.00 178.15 178.08 1jtb n ALA 55 N -2.65 0.12 0.00 0.18 0.00 0.18 -2.39 120.51 115.94 1jtb n ALA 55 Ca -0.06 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1jtb n ALA 55 Cb 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -5.41 0.00 0.00 0.00 0.63 0.19 0.17 116.66 112.24 1jtb n ARG 56 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1jtb n ARG 56 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 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 -0.79 -0.57 3.18 5.14 0.00 -1.01 -5.11 105.19 106.04 1jtb n GLY 57 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.16 0.27 0.00 -0.61 5.41 0.13 -4.95 119.36 119.44 1jtb n ILE 58 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1jtb n ILE 58 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 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 -1.25 0.00 -2.81 1.39 -0.00 -1.26 -4.19 115.22 107.10 1jtb n HIS 59 Ca 0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.64 1jtb n HIS 59 Cb 0.43 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.42 1jtb n HIS 59 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1jtb n ASN 60 N 0.00 2.34 0.00 0.26 6.94 -0.29 -5.07 115.26 119.44 1jtb n ASN 60 Ca 0.00 -3.13 0.00 0.00 -0.02 0.00 0.00 54.58 51.43 1jtb n ASN 60 Cb 0.00 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1jtb n LEU 61 N -0.08 0.00 -3.79 -4.53 7.94 -1.25 -4.72 117.00 110.58 1jtb n LEU 61 Ca 0.22 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.70 1jtb n LEU 61 Cb 0.69 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1jtb n LEU 61 CO 0.28 0.00 1.89 -3.20 -1.11 0.00 0.00 177.39 175.25 1jtb n ASN 62 N 0.00 6.11 -0.33 1.96 4.05 0.85 -4.79 115.26 123.11 1jtb n ASN 62 Ca 0.00 -3.20 0.25 0.00 0.45 0.00 0.00 54.58 52.08 1jtb n ASN 62 Cb 0.00 -1.40 0.48 0.00 1.23 0.00 0.00 39.78 40.09 1jtb n ASN 62 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1jtb h LEU 63 N 6.74 0.46 -0.24 1.20 3.38 -1.87 0.58 115.31 125.55 1jtb h LEU 63 Ca 0.44 0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.67 1jtb h LEU 63 Cb 0.53 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 1jtb h LEU 63 CO 1.52 -0.18 -0.13 0.78 0.09 0.00 0.00 178.44 180.52 1jtb h ASN 64 N 0.27 -0.43 0.07 -0.43 2.35 -1.97 0.36 115.58 115.80 1jtb h ASN 64 Ca 0.74 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 56.61 1jtb h ASN 64 Cb 1.73 0.23 -0.03 0.00 0.05 0.00 0.00 38.32 40.31 1jtb h ASN 64 CO -0.64 -0.16 -0.16 -1.13 -1.65 0.00 0.00 177.43 173.69 1jtb h ASN 65 N -0.10 -0.46 -0.30 5.81 -1.24 -0.29 0.31 115.58 119.30 1jtb h ASN 65 Ca 0.13 0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.27 1jtb h ASN 65 Cb 0.30 0.18 -0.08 0.00 0.73 0.00 0.00 38.32 39.45 1jtb h ASN 65 CO -0.31 -0.23 -0.27 0.00 -1.29 0.00 0.00 177.43 175.33 1jtb h ALA 66 N 0.57 -0.13 -0.12 1.57 0.00 -0.51 0.39 119.26 121.03 1jtb h ALA 66 Ca 0.03 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1jtb h ALA 66 Cb 0.34 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jtb h ALA 66 CO -0.11 -0.68 0.09 0.00 0.00 0.00 0.00 179.25 178.55 1jtb h ALA 67 N 0.80 2.02 0.00 0.00 0.00 0.38 0.18 119.26 122.64 1jtb h ALA 67 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1jtb h ALA 67 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1jtb h ALA 67 CO -0.44 -0.15 0.00 1.03 0.00 0.00 0.00 179.25 179.69 1jtb h SER 68 N 0.00 0.00 0.60 0.00 0.87 0.36 -3.34 113.55 112.04 1jtb h SER 68 Ca 0.06 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1jtb h SER 68 Cb 0.24 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1jtb h SER 68 CO -0.00 0.00 -0.49 0.40 -0.53 0.00 0.00 176.83 176.21 1jtb h ILE 69 N 0.00 0.04 -0.84 2.23 1.08 0.11 -0.64 117.51 119.50 1jtb h ILE 69 Ca 0.00 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.65 1jtb h ILE 69 Cb 0.90 0.04 -0.11 0.00 -3.07 0.00 0.00 36.82 34.58 1jtb h ILE 69 CO 0.00 0.00 0.36 1.55 -0.69 0.00 0.00 178.15 179.37 1jtb h PRO 70 N -1.05 0.44 0.57 2.37 0.13 -1.71 0.10 132.00 132.86 1jtb h PRO 70 Ca -0.07 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1jtb h PRO 70 Cb 0.89 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 31.93 1jtb h PRO 70 CO -0.00 0.29 -0.28 0.77 -0.23 0.00 0.00 178.00 178.55 1jtb h SER 71 N 0.45 -0.65 -0.97 1.44 0.02 -1.71 -1.11 113.55 111.01 1jtb h SER 71 Ca 0.49 0.02 0.23 0.00 -0.84 0.00 0.00 61.79 61.69 1jtb h SER 71 Cb 0.83 0.17 -0.12 0.00 0.14 0.00 0.00 62.40 63.42 1jtb h SER 71 CO -0.46 -0.41 0.55 0.50 -1.14 0.00 0.00 176.83 175.86 1jtb h LYS 72 N -0.88 0.56 -0.47 3.45 3.64 -0.32 0.65 116.57 123.20 1jtb h LYS 72 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1jtb h LYS 72 Cb 0.59 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1jtb h LYS 72 CO 0.13 0.37 0.00 0.00 -2.27 0.00 0.00 179.45 177.68 1jtb n ASN 74 N 1.17 -1.48 -0.53 0.00 2.85 0.22 -4.80 115.26 112.69 1jtb n ASN 74 Ca 0.19 -0.94 0.06 0.00 -0.11 0.00 0.00 54.58 53.78 1jtb n ASN 74 Cb 0.50 -1.14 0.08 0.00 1.24 0.00 0.00 39.78 40.46 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 -3.80 0.23 0.00 3.44 3.14 -0.53 -5.00 118.33 115.81 1jtb n VAL 75 Ca -0.14 -0.61 0.00 0.00 -2.96 0.00 0.00 64.34 60.62 1jtb n VAL 75 Cb 0.44 1.08 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 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 0.66 0.00 0.00 6.55 6.94 -1.23 -4.88 115.26 123.29 1jtb n ASN 76 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1jtb n ASN 76 Cb 0.33 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1jtb n ASN 76 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 1jtb n VAL 77 N 0.00 0.00 -0.44 3.53 3.14 -1.26 -4.66 118.33 118.64 1jtb n VAL 77 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 1jtb n VAL 77 Cb 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.69 1jtb n VAL 77 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1jtb n PRO 78 N 0.00 0.00 -2.93 1.45 -0.04 -1.26 -4.78 135.00 127.44 1jtb n PRO 78 Ca 0.00 -0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 62.22 1jtb n PRO 78 Cb 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 7.86 2.56 0.00 0.54 9.36 -1.26 -4.27 117.16 131.95 1jtb n TYR 79 Ca 0.35 -2.75 0.00 0.00 3.32 0.00 0.00 57.90 58.83 1jtb n TYR 79 Cb 0.33 -1.15 0.00 0.00 -0.63 0.00 0.00 39.34 37.89 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 0.81 0.00 -4.15 2.97 -1.04 -1.26 -4.71 114.28 106.90 1jtb n THR 80 Ca 0.33 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 62.01 1jtb n THR 80 Cb 0.32 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.79 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 -1.70 -4.46 12.58 2.08 -1.26 -4.95 119.36 121.64 1jtb n ILE 81 Ca 0.00 -0.23 -0.23 0.00 0.56 0.00 0.00 62.75 62.85 1jtb n ILE 81 Cb 0.00 -1.91 -0.10 0.00 -0.75 0.00 0.00 39.64 36.87 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 -3.78 3.34 0.03 4.38 0.01 -1.26 -4.87 113.70 111.54 1jtb s SER 82 Ca 0.41 -1.10 -0.06 0.00 1.31 0.00 0.00 55.95 56.51 1jtb s SER 82 Cb -0.22 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 65.73 1jtb s SER 82 CO 0.93 -0.12 0.69 -2.65 0.41 0.00 0.00 173.24 172.50 1jtb n PRO 83 N -0.62 -0.09 -2.86 12.44 -0.02 -1.26 -1.96 135.00 140.63 1jtb n PRO 83 Ca -0.06 0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 61.85 1jtb n PRO 83 Cb 0.61 -1.01 -0.03 0.00 -0.02 0.00 0.00 33.50 33.05 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 -3.30 4.11 0.00 2.55 2.03 -1.26 -5.02 116.55 115.66 1jtb n ASP 84 Ca 0.00 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.71 1jtb n ASP 84 Cb 0.05 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 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 -0.24 0.00 -2.86 5.18 3.06 -0.83 -4.83 119.36 118.84 1jtb n ILE 85 Ca 0.31 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 60.16 1jtb n ILE 85 Cb 0.49 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.61 1jtb n ILE 85 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1jtb s ASP 86 N 0.00 7.46 -1.05 9.51 1.01 -1.26 -4.88 116.67 127.47 1jtb s ASP 86 Ca 0.00 1.73 -0.02 0.00 0.71 0.00 0.00 52.55 54.97 1jtb s ASP 86 Cb 0.00 -2.55 0.27 0.00 1.01 0.00 0.00 42.92 41.65 1jtb s ASP 86 CO 0.00 0.10 2.03 0.00 0.21 0.00 0.00 175.17 177.51 1jtb n SER 88 N 0.33 1.97 -2.50 0.00 2.88 -1.26 -4.89 113.62 110.15 1jtb n SER 88 Ca 0.52 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.87 1jtb n SER 88 Cb 0.27 0.21 0.02 0.00 -0.75 0.00 0.00 64.21 63.95 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 -1.06 2.62 -4.25 -1.46 0.00 -1.25 -5.09 116.66 106.17 1jtb n ARG 89 Ca 0.00 -3.99 -0.23 0.00 -0.00 0.00 0.00 57.85 53.62 1jtb n ARG 89 Cb 0.19 -1.89 -0.07 0.00 -0.00 0.00 0.00 32.46 30.68 1jtb n ARG 89 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1jtb s ILE 90 N -4.53 3.09 0.00 8.89 1.01 -1.26 -4.34 121.20 124.06 1jtb s ILE 90 Ca 0.40 -1.87 0.00 0.00 0.00 0.00 0.00 60.65 59.18 1jtb s ILE 90 Cb 0.41 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1jtb s ILE 90 CO -0.08 -0.27 0.19 -1.22 0.00 0.00 0.00 174.94 173.57