#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 6.41 -3.14 1.96 4.13 -1.26 -4.63 115.26 118.73 1jtb n ASN 2 Ca 0.00 -2.75 -0.26 0.00 1.68 0.00 0.00 54.58 53.24 1jtb n ASN 2 Cb 0.00 -1.39 -0.05 0.00 -1.54 0.00 0.00 39.78 36.80 1jtb n ASN 2 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jtb h GLY 4 N 3.45 -0.44 -1.23 0.00 0.00 -2.00 -1.40 103.07 101.45 1jtb h GLY 4 Ca 0.15 0.16 0.46 0.00 0.00 0.00 0.00 47.33 48.10 1jtb h GLY 4 CO 0.79 -0.16 1.00 1.46 0.00 0.00 0.00 176.54 179.63 1jtb h GLN 5 N -1.03 0.06 0.43 4.80 4.20 -1.98 0.34 115.11 121.93 1jtb h GLN 5 Ca -0.04 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1jtb h GLN 5 Cb 0.33 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1jtb h GLN 5 CO 0.07 0.04 -0.21 0.28 -0.67 0.00 0.00 178.83 178.34 1jtb h VAL 6 N 0.06 0.00 -1.11 -0.54 2.07 -1.90 0.17 116.25 115.01 1jtb h VAL 6 Ca 0.82 -0.33 0.43 0.00 0.82 0.00 0.00 66.70 68.44 1jtb h VAL 6 Cb 2.84 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 32.44 1jtb h VAL 6 CO -0.26 0.00 0.64 -0.78 0.02 0.00 0.00 177.57 177.19 1jtb h ASP 7 N -0.91 0.30 0.11 0.57 3.58 0.71 0.22 116.42 121.00 1jtb h ASP 7 Ca -0.06 0.22 -0.20 0.00 0.42 0.00 0.00 57.03 57.42 1jtb h ASP 7 Cb 0.45 0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.73 1jtb h ASP 7 CO 0.10 -0.37 -0.95 -1.28 -2.88 0.00 0.00 179.24 173.86 1jtb h SER 8 N 0.02 0.36 -0.01 2.28 0.87 -0.90 -3.33 113.55 112.84 1jtb h SER 8 Ca 0.85 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1jtb h SER 8 Cb 2.38 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 64.22 1jtb h SER 8 CO -0.67 1.43 -0.07 0.29 -0.53 0.00 0.00 176.83 177.28 1jtb n LYS 9 N -4.13 0.99 0.00 2.24 4.76 0.60 -4.70 118.16 117.91 1jtb n LYS 9 Ca -0.18 -0.93 0.00 0.00 -2.87 0.00 0.00 58.31 54.33 1jtb n LYS 9 Cb 0.80 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.84 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 0.29 3.79 -0.07 1.97 2.81 0.69 -0.11 117.12 126.48 1jtb n MET 10 Ca 0.05 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.92 1jtb n MET 10 Cb 0.23 -0.99 -0.02 0.00 -0.71 0.00 0.00 33.22 31.74 1jtb n MET 10 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1jtb n LYS 11 N -2.00 -0.07 0.30 0.03 3.00 -0.67 0.75 118.16 119.49 1jtb n LYS 11 Ca 0.00 0.54 0.17 0.00 -0.00 0.00 0.00 58.31 59.02 1jtb n LYS 11 Cb 0.49 -0.80 0.91 0.00 0.00 0.00 0.00 35.03 35.64 1jtb n LYS 11 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1jtb h PRO 12 N 0.00 0.00 0.06 1.64 0.13 -1.85 -1.17 132.00 130.81 1jtb h PRO 12 Ca 0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 1jtb h PRO 12 Cb 0.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.21 1jtb h PRO 12 CO -0.15 0.04 -0.40 0.00 -0.23 0.00 0.00 178.00 177.26 1jtb h LEU 14 N -0.60 0.06 -0.85 0.00 6.46 -0.87 -2.17 115.31 117.34 1jtb h LEU 14 Ca -0.07 -0.60 0.10 0.00 -0.12 0.00 0.00 57.88 57.19 1jtb h LEU 14 Cb 1.27 -0.02 -0.12 0.00 -0.73 0.00 0.00 40.66 41.06 1jtb h LEU 14 CO 0.08 0.65 -0.52 0.71 -0.62 0.00 0.00 178.44 178.74 1jtb h THR 15 N -0.52 0.02 -0.94 1.05 1.35 -1.32 0.25 112.91 112.79 1jtb h THR 15 Ca -0.00 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.97 1jtb h THR 15 Cb 0.65 0.02 -0.13 0.00 -1.73 0.00 0.00 68.15 66.95 1jtb h THR 15 CO 0.01 0.00 -0.47 0.00 -0.25 0.00 0.00 175.52 174.80 1jtb n TYR 16 N -5.34 -0.23 -0.22 4.73 9.36 -0.59 0.38 117.16 125.26 1jtb n TYR 16 Ca 0.03 1.17 -0.04 0.00 3.32 0.00 0.00 57.90 62.38 1jtb n TYR 16 Cb 0.32 -0.69 0.07 0.00 -0.63 0.00 0.00 39.34 38.40 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 1.04 0.00 2.97 -1.51 0.14 -0.07 116.25 118.81 1jtb h VAL 17 Ca 0.22 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1jtb h VAL 17 Cb 0.46 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 1jtb h VAL 17 CO -0.90 0.13 0.00 0.00 -1.23 0.00 0.00 177.57 175.57 1jtb n GLN 18 N -4.75 0.68 -0.33 5.19 10.64 -0.13 -0.18 117.38 128.50 1jtb n GLN 18 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 1jtb n GLN 18 Cb 0.11 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 27.99 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 1.13 0.73 0.00 2.61 0.00 0.16 -3.11 105.19 106.70 1jtb n GLY 19 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.11 4.20 3.45 -0.02 0.00 0.12 -4.89 105.19 107.93 1jtb n GLY 20 Ca 0.00 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.14 0.54 0.00 1.61 -0.04 -1.26 -4.04 135.00 131.68 1jtb n PRO 21 Ca 0.00 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1jtb n PRO 21 Cb 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 1.81 0.81 0.13 0.55 0.00 -1.26 -3.31 105.19 103.92 1jtb n GLY 22 Ca 0.11 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.69 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 0.32 0.00 1.61 0.13 -1.88 -3.46 132.00 128.73 1jtb h PRO 23 Ca 0.00 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1jtb h PRO 23 Cb 0.00 0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1jtb h PRO 23 CO 0.00 1.21 0.00 0.43 -0.23 0.00 0.00 178.00 179.41 1jtb n SER 24 N -3.52 0.00 0.07 1.44 7.64 -1.26 -1.22 113.62 116.78 1jtb n SER 24 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1jtb n SER 24 Cb 1.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 -0.12 0.38 0.23 0.00 -1.26 -4.74 105.19 99.67 1jtb n GLY 25 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 0.36 0.19 1.61 4.11 -1.98 -0.92 114.58 117.95 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 0.09 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jtb h GLU 26 CO 0.00 0.24 -0.09 0.00 0.07 0.00 0.00 179.01 179.23 1jtb h ASN 29 N -0.65 0.00 0.28 0.00 7.08 -1.28 0.74 115.58 121.75 1jtb h ASN 29 Ca -0.05 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.16 1jtb h ASN 29 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.71 1jtb h ASN 29 CO 0.08 0.16 -0.13 1.23 -2.08 0.00 0.00 177.43 176.69 1jtb h GLY 30 N 0.61 -0.39 -0.60 9.14 0.00 -0.67 0.39 103.07 111.53 1jtb h GLY 30 Ca -0.00 0.15 0.16 0.00 0.00 0.00 0.00 47.33 47.64 1jtb h GLY 30 CO 0.02 -0.14 -0.19 -2.08 0.00 0.00 0.00 176.54 174.14 1jtb h VAL 31 N -0.59 0.20 0.73 4.60 2.07 0.32 0.34 116.25 123.92 1jtb h VAL 31 Ca -0.04 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1jtb h VAL 31 Cb 0.29 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1jtb h VAL 31 CO 0.06 0.00 -0.38 -0.09 0.02 0.00 0.00 177.57 177.18 1jtb h ARG 32 N 0.00 -0.99 -0.98 1.57 1.12 -0.88 0.16 114.38 114.38 1jtb h ARG 32 Ca 0.39 0.07 0.15 0.00 -1.11 0.00 0.00 59.98 59.47 1jtb h ARG 32 Cb 0.59 0.22 -0.16 0.00 -0.01 0.00 0.00 29.97 30.62 1jtb h ARG 32 CO -0.82 -0.66 -0.40 -0.44 -3.11 0.00 0.00 179.97 174.53 1jtb h ASP 33 N -1.02 -1.49 0.08 -3.80 5.19 0.13 0.75 116.42 116.26 1jtb h ASP 33 Ca -0.10 0.31 0.02 0.00 -0.62 0.00 0.00 57.03 56.64 1jtb h ASP 33 Cb 0.80 0.77 -0.05 0.00 0.18 0.00 0.00 39.33 41.03 1jtb h ASP 33 CO 0.14 -0.29 -0.38 -0.07 -3.12 0.00 0.00 179.24 175.53 1jtb h LEU 34 N -0.01 -1.12 -0.78 1.55 -0.00 -0.18 0.96 115.31 115.73 1jtb h LEU 34 Ca 0.33 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.34 1jtb h LEU 34 Cb 0.58 0.43 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1jtb h LEU 34 CO -0.98 -0.45 0.14 1.57 -0.00 0.00 0.00 178.44 178.73 1jtb n HIS 35 N -5.44 0.40 -0.07 1.13 -0.00 0.24 -0.05 115.22 111.42 1jtb n HIS 35 Ca -0.06 0.21 -0.04 0.00 0.46 0.00 0.00 57.72 58.29 1jtb n HIS 35 Cb 0.36 -0.73 -0.16 0.00 -0.12 0.00 0.00 29.99 29.34 1jtb n HIS 35 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1jtb n ASN 36 N -1.91 0.01 -0.01 0.26 5.03 0.27 -4.69 115.26 114.23 1jtb n ASN 36 Ca -0.01 0.01 0.01 0.00 0.87 0.00 0.00 54.58 55.46 1jtb n ASN 36 Cb 0.16 1.29 -0.04 0.00 -1.02 0.00 0.00 39.78 40.17 1jtb n ASN 36 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jtb n GLN 37 N -2.60 1.18 -0.08 3.52 10.64 0.19 -4.65 117.38 125.58 1jtb n GLN 37 Ca -0.24 -0.04 0.02 0.00 -1.83 0.00 0.00 57.00 54.92 1jtb n GLN 37 Cb 0.98 -1.14 0.07 0.00 -0.86 0.00 0.00 30.24 29.29 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 -1.87 2.49 -0.99 2.61 0.00 0.93 -4.41 120.51 119.27 1jtb n ALA 38 Ca -0.04 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 1jtb n ALA 38 Cb 0.33 -0.99 -0.17 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.06 1.99 -4.54 0.00 10.64 -1.26 -3.74 117.38 120.40 1jtb n GLN 39 Ca 0.05 -0.99 -0.25 0.00 -1.83 0.00 0.00 57.00 53.97 1jtb n GLN 39 Cb 0.14 -2.00 -0.10 0.00 -0.86 0.00 0.00 30.24 27.43 1jtb n GLN 39 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1jtb s SER 40 N 2.01 2.94 0.00 2.61 0.15 -1.26 -5.10 113.70 115.06 1jtb s SER 40 Ca 0.66 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1jtb s SER 40 Cb 0.32 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1jtb s SER 40 CO -0.00 -0.72 0.00 -0.24 1.20 0.00 0.00 173.24 173.48 1jtb n SER 41 N -0.98 0.00 -0.03 5.45 2.88 -1.26 -3.30 113.62 116.38 1jtb n SER 41 Ca -0.06 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.46 1jtb n SER 41 Cb 0.66 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.06 1jtb n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jtb n GLY 42 N -0.84 -0.39 0.00 0.46 0.00 -1.26 -4.90 105.19 98.25 1jtb n GLY 42 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.16 0.00 0.12 1.61 9.92 -1.21 0.20 116.55 125.03 1jtb n ASP 43 Ca -0.10 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.04 1jtb n ASP 43 Cb 0.62 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 41.02 1jtb n ASP 43 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1jtb h ARG 44 N 0.00 -0.34 0.00 -1.24 -0.00 -1.78 0.71 114.38 111.73 1jtb h ARG 44 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 1jtb h ARG 44 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 29.97 30.05 1jtb h ARG 44 CO 0.00 0.02 0.23 1.96 -0.00 0.00 0.00 179.97 182.17 1jtb h GLN 45 N -0.84 0.00 0.00 0.08 4.20 -0.82 0.33 115.11 118.07 1jtb h GLN 45 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1jtb h GLN 45 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1jtb h GLN 45 CO 0.06 0.00 -0.00 1.15 -0.67 0.00 0.00 178.83 179.37 1jtb h THR 46 N 0.00 1.01 -0.71 -0.54 2.02 0.31 -2.10 112.91 112.91 1jtb h THR 46 Ca 0.00 -1.75 0.16 0.00 0.77 0.00 0.00 66.41 65.59 1jtb h THR 46 Cb 0.46 1.90 -0.13 0.00 -1.74 0.00 0.00 68.15 68.64 1jtb h THR 46 CO 0.00 0.34 -0.04 0.58 0.37 0.00 0.00 175.52 176.77 1jtb h VAL 47 N -1.00 0.36 -0.18 3.16 2.07 0.18 0.14 116.25 120.99 1jtb h VAL 47 Ca -0.00 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1jtb h VAL 47 Cb 0.56 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1jtb h VAL 47 CO 0.00 0.01 -0.47 0.00 0.02 0.00 0.00 177.57 177.14 1jtb h ASN 49 N -0.46 0.17 0.06 0.00 2.35 -0.05 0.32 115.58 117.98 1jtb h ASN 49 Ca 0.04 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1jtb h ASN 49 Cb 0.56 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1jtb h ASN 49 CO -0.41 0.03 -0.03 0.00 -1.65 0.00 0.00 177.43 175.37 1jtb n LEU 51 N -4.78 -0.24 -0.34 0.00 4.77 0.11 0.28 117.00 116.80 1jtb n LEU 51 Ca -0.06 1.34 0.20 0.00 -0.03 0.00 0.00 56.01 57.45 1jtb n LEU 51 Cb 0.27 -0.42 0.41 0.00 -2.33 0.00 0.00 43.42 41.35 1jtb n LEU 51 CO 0.21 -1.30 1.14 0.11 -1.33 0.00 0.00 177.39 176.22 1jtb h LYS 52 N 0.00 0.46 0.11 3.23 1.79 -1.07 0.49 116.57 121.57 1jtb h LYS 52 Ca 0.39 -0.03 -0.35 0.00 -2.18 0.00 0.00 60.65 58.49 1jtb h LYS 52 Cb 0.65 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1jtb h LYS 52 CO -0.79 0.30 -1.88 0.41 -1.08 0.00 0.00 179.45 176.41 1jtb n GLY 53 N -1.31 -0.60 0.42 3.86 0.00 0.14 -1.61 105.19 106.10 1jtb n GLY 53 Ca 0.28 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1jtb n GLY 53 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jtb h ILE 54 N -0.10 0.17 -0.25 -0.61 -0.00 -1.16 -1.15 117.51 114.43 1jtb h ILE 54 Ca -0.41 0.00 0.06 0.00 -0.00 0.00 0.00 64.86 64.51 1jtb h ILE 54 Cb 1.92 0.17 -0.08 0.00 -0.00 0.00 0.00 36.82 38.84 1jtb h ILE 54 CO 0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 178.15 177.85 1jtb h ALA 55 N -0.37 -0.35 -1.24 0.18 0.00 -0.17 0.29 119.26 117.61 1jtb h ALA 55 Ca -0.02 0.05 0.45 0.00 0.00 0.00 0.00 54.91 55.40 1jtb h ALA 55 Cb 0.72 0.69 -0.15 0.00 0.00 0.00 0.00 17.79 19.05 1jtb h ALA 55 CO -0.13 -0.80 0.76 -2.13 0.00 0.00 0.00 179.25 176.95 1jtb n ARG 56 N -5.42 -0.04 -0.62 0.00 3.00 -0.54 -0.41 116.66 112.63 1jtb n ARG 56 Ca -0.02 1.29 0.04 0.00 -0.00 0.00 0.00 57.85 59.16 1jtb n ARG 56 Cb 0.34 -2.45 0.20 0.00 0.00 0.00 0.00 32.46 30.55 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 -1.43 5.07 3.92 5.14 0.00 0.67 -5.07 105.19 113.49 1jtb n GLY 57 Ca 0.39 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.13 0.00 0.00 -0.61 5.41 0.70 -5.01 119.36 118.72 1jtb n ILE 58 Ca 0.22 -0.98 0.00 0.00 1.00 0.00 0.00 62.75 62.99 1jtb n ILE 58 Cb 0.76 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.20 1jtb n ILE 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1jtb n HIS 59 N -3.92 0.00 -3.15 1.39 8.25 -1.26 -4.99 115.22 111.55 1jtb n HIS 59 Ca 0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.36 1jtb n HIS 59 Cb 0.59 0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.69 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 -2.27 4.14 -4.54 0.41 5.03 -1.18 -5.03 115.26 111.82 1jtb n ASN 60 Ca 0.00 -3.58 -0.28 0.00 0.87 0.00 0.00 54.58 51.59 1jtb n ASN 60 Cb 0.00 -0.61 -0.07 0.00 -1.02 0.00 0.00 39.78 38.08 1jtb n ASN 60 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1jtb n LEU 61 N 0.23 1.67 -3.61 3.41 7.94 -1.26 -4.01 117.00 121.36 1jtb n LEU 61 Ca 0.30 -0.75 -0.41 0.00 -1.11 0.00 0.00 56.01 54.04 1jtb n LEU 61 Cb 0.40 -1.47 -0.00 0.00 0.53 0.00 0.00 43.42 42.88 1jtb n LEU 61 CO 0.37 -1.82 2.21 -3.20 -1.11 0.00 0.00 177.39 173.84 1jtb n ASN 62 N 15.54 7.12 -0.08 1.96 4.05 0.75 -4.86 115.26 139.75 1jtb n ASN 62 Ca 0.46 -3.16 0.02 0.00 0.45 0.00 0.00 54.58 52.34 1jtb n ASN 62 Cb 0.43 -1.39 0.03 0.00 1.23 0.00 0.00 39.78 40.08 1jtb n ASN 62 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1jtb n LEU 63 N 2.27 -0.07 -0.24 1.20 7.99 -1.26 0.23 117.00 127.12 1jtb n LEU 63 Ca 0.54 0.37 0.04 0.00 -0.01 0.00 0.00 56.01 56.96 1jtb n LEU 63 Cb 0.28 -0.12 0.16 0.00 -0.11 0.00 0.00 43.42 43.63 1jtb n LEU 63 CO 0.72 -0.36 0.88 0.78 -1.51 0.00 0.00 177.39 177.90 1jtb h ASN 64 N 0.00 -0.15 -0.53 -1.43 4.21 -1.97 0.20 115.58 115.91 1jtb h ASN 64 Ca 0.11 0.16 -0.10 0.00 1.21 0.00 0.00 56.30 57.68 1jtb h ASN 64 Cb 0.17 0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 1jtb h ASN 64 CO -0.22 -0.10 -0.04 -0.55 -1.29 0.00 0.00 177.43 175.24 1jtb h ASN 65 N 0.18 0.97 -0.20 5.81 -1.07 -0.61 -2.11 115.58 118.55 1jtb h ASN 65 Ca 0.39 -0.28 -0.03 0.00 0.07 0.00 0.00 56.30 56.45 1jtb h ASN 65 Cb 0.67 -0.26 -0.01 0.00 -2.07 0.00 0.00 38.32 36.65 1jtb h ASN 65 CO -0.55 1.04 0.02 0.00 0.07 0.00 0.00 177.43 178.01 1jtb h ALA 66 N 1.05 0.27 0.00 4.14 0.00 -0.95 -1.53 119.26 122.25 1jtb h ALA 66 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jtb h ALA 66 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1jtb h ALA 66 CO 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1jtb n ALA 67 N -2.31 1.99 0.63 0.00 0.00 0.50 -0.68 120.51 120.63 1jtb n ALA 67 Ca -0.04 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.42 1jtb n ALA 67 Cb 0.20 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 1jtb n ALA 67 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jtb n SER 68 N -0.87 0.84 0.08 0.00 2.88 -0.60 -4.55 113.62 111.41 1jtb n SER 68 Ca 0.08 -0.71 -0.10 0.00 -1.33 0.00 0.00 58.87 56.81 1jtb n SER 68 Cb 0.03 1.17 -0.06 0.00 -0.75 0.00 0.00 64.21 64.60 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 0.58 -1.08 2.46 1.08 -0.66 -1.54 117.51 118.34 1jtb h ILE 69 Ca 0.00 -0.99 0.32 0.00 -0.39 0.00 0.00 64.86 63.81 1jtb h ILE 69 Cb 0.48 0.98 -0.13 0.00 -3.07 0.00 0.00 36.82 35.09 1jtb h ILE 69 CO 0.00 0.15 0.66 -0.65 -0.69 0.00 0.00 178.15 177.62 1jtb h PRO 70 N -0.95 0.31 0.00 2.37 0.11 -1.80 0.24 132.00 132.28 1jtb h PRO 70 Ca -0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1jtb h PRO 70 Cb 0.48 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1jtb h PRO 70 CO 0.05 0.20 -0.05 0.66 -0.21 0.00 0.00 178.00 178.66 1jtb h SER 71 N 0.32 0.00 -0.81 -2.05 4.64 -1.85 -0.33 113.55 113.48 1jtb h SER 71 Ca 0.71 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 62.31 1jtb h SER 71 Cb 1.78 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.72 1jtb h SER 71 CO -0.48 0.33 0.23 1.17 -0.87 0.00 0.00 176.83 177.22 1jtb n LYS 72 N -3.72 -0.06 -0.23 4.77 4.81 -0.25 -0.10 118.16 123.39 1jtb n LYS 72 Ca -0.01 1.16 0.08 0.00 -0.87 0.00 0.00 58.31 58.67 1jtb n LYS 72 Cb 0.02 -1.97 0.22 0.00 0.02 0.00 0.00 35.03 33.32 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 0.87 0.00 -0.00 0.00 5.15 0.86 -4.76 115.26 117.37 1jtb n ASN 74 Ca 0.16 -1.26 -0.00 0.00 -0.60 0.00 0.00 54.58 52.87 1jtb n ASN 74 Cb 0.40 -1.56 -0.01 0.00 -0.53 0.00 0.00 39.78 38.08 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 -4.62 0.04 -0.98 3.44 3.14 -0.79 -4.97 118.33 113.59 1jtb n VAL 75 Ca -0.28 -0.03 -0.01 0.00 -2.96 0.00 0.00 64.34 61.06 1jtb n VAL 75 Cb 0.66 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 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 -1.89 -1.00 -4.85 6.55 6.94 -0.20 -4.99 115.26 115.83 1jtb n ASN 76 Ca -0.01 0.05 -0.29 0.00 -0.02 0.00 0.00 54.58 54.31 1jtb n ASN 76 Cb 0.38 -0.24 -0.05 0.00 -2.36 0.00 0.00 39.78 37.51 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 -0.16 4.89 0.04 3.53 -7.23 -1.26 -5.00 120.40 115.20 1jtb s VAL 77 Ca 0.01 -0.70 -0.25 0.00 -1.81 0.00 0.00 61.98 59.23 1jtb s VAL 77 Cb -0.00 -3.42 -0.18 0.00 0.56 0.00 0.00 36.38 33.35 1jtb s VAL 77 CO 0.02 0.05 1.50 1.55 -0.31 0.00 0.00 175.10 177.91 1jtb h PRO 78 N 2.90 -0.05 -0.09 4.82 0.13 -1.96 -3.48 132.00 134.27 1jtb h PRO 78 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jtb h PRO 78 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jtb h PRO 78 CO 0.69 0.19 0.00 0.98 -0.23 0.00 0.00 178.00 179.63 1jtb n TYR 79 N -5.00 0.00 0.00 1.56 9.36 -1.26 -4.42 117.16 117.39 1jtb n TYR 79 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1jtb n TYR 79 Cb 0.15 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 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 -0.01 0.00 -3.67 2.97 -1.04 -1.26 -4.70 114.28 106.56 1jtb n THR 80 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 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 0.00 -1.52 -4.39 12.58 2.08 -1.26 -4.97 119.36 121.88 1jtb n ILE 81 Ca 0.00 0.00 -0.20 0.00 0.56 0.00 0.00 62.75 63.11 1jtb n ILE 81 Cb 0.00 -2.39 -0.10 0.00 -0.75 0.00 0.00 39.64 36.40 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 -3.03 2.63 0.07 4.38 0.01 -1.26 -4.73 113.70 111.76 1jtb s SER 82 Ca 0.55 -1.14 -0.14 0.00 1.31 0.00 0.00 55.95 56.53 1jtb s SER 82 Cb -0.28 -0.14 -0.25 0.00 0.21 0.00 0.00 66.02 65.55 1jtb s SER 82 CO 0.68 -0.30 1.16 1.55 0.41 0.00 0.00 173.24 176.74 1jtb h PRO 83 N 2.38 0.69 -0.22 12.44 0.13 -2.00 -2.70 132.00 142.72 1jtb h PRO 83 Ca -0.39 -0.79 0.00 0.00 -0.87 0.00 0.00 66.00 63.95 1jtb h PRO 83 Cb 1.23 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1jtb h PRO 83 CO 0.65 1.35 0.00 -0.40 -0.23 0.00 0.00 178.00 179.37 1jtb n ASP 84 N -3.84 1.22 0.00 1.44 5.68 -1.26 -4.95 116.55 114.85 1jtb n ASP 84 Ca -0.12 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 1jtb n ASP 84 Cb 0.92 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 1jtb n ASP 84 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jtb n ILE 85 N 0.15 0.00 -3.74 2.12 0.00 -1.02 -4.94 119.36 111.93 1jtb n ILE 85 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 62.75 62.52 1jtb n ILE 85 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 39.64 39.79 1jtb n ILE 85 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1jtb s ASP 86 N 0.00 6.47 -0.16 9.51 -1.08 -1.26 -4.91 116.67 125.24 1jtb s ASP 86 Ca 0.00 0.51 0.15 0.00 -0.52 0.00 0.00 52.55 52.69 1jtb s ASP 86 Cb 0.00 -2.06 0.71 0.00 -1.46 0.00 0.00 42.92 40.11 1jtb s ASP 86 CO 0.00 0.12 1.60 0.00 0.52 0.00 0.00 175.17 177.41 1jtb n SER 88 N 0.81 0.78 -1.55 0.00 2.88 -1.26 -4.53 113.62 110.75 1jtb n SER 88 Ca 0.25 -0.29 -0.07 0.00 -1.33 0.00 0.00 58.87 57.42 1jtb n SER 88 Cb 0.97 1.58 0.09 0.00 -0.75 0.00 0.00 64.21 66.11 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 -1.92 2.25 -4.30 -1.46 0.00 -1.26 -5.04 116.66 104.94 1jtb n ARG 89 Ca -0.01 -3.54 -0.25 0.00 -0.00 0.00 0.00 57.85 54.05 1jtb n ARG 89 Cb 0.42 -1.71 -0.08 0.00 -0.00 0.00 0.00 32.46 31.09 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 -3.50 2.47 0.00 8.89 1.01 -1.26 -4.23 121.20 124.59 1jtb s ILE 90 Ca 0.41 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 59.19 1jtb s ILE 90 Cb 0.38 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1jtb s ILE 90 CO -0.03 -0.11 0.17 -1.22 0.00 0.00 0.00 174.94 173.75