#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtc n PHE 1 N 0.00 1.98 -2.94 -1.40 7.35 -1.26 -5.02 117.46 116.17 1jtc n PHE 1 Ca 0.00 -2.17 -0.41 0.00 -0.76 0.00 0.00 57.45 54.11 1jtc n PHE 1 Cb 0.00 -0.28 -0.04 0.00 0.35 0.00 0.00 39.48 39.50 1jtc n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jtc s ASN 2 N -3.69 6.90 0.14 -2.13 0.01 -1.26 -5.03 114.94 109.88 1jtc s ASN 2 Ca 0.39 1.11 0.06 0.00 -0.71 0.00 0.00 52.86 53.71 1jtc s ASN 2 Cb 0.37 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 1jtc s ASN 2 CO -0.00 -0.36 -0.00 -0.76 -1.51 0.00 0.00 177.10 174.47 1jtc s LEU 3 N 2.02 3.36 0.60 0.60 1.43 -1.26 -0.95 118.68 124.48 1jtc s LEU 3 Ca 0.36 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 1jtc s LEU 3 Cb -0.16 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1jtc s LEU 3 CO 0.12 0.12 1.03 -2.16 0.23 0.00 0.00 176.35 175.69 1jtc s PRO 4 N -2.68 3.53 0.28 1.29 0.04 -1.26 -4.65 135.00 131.56 1jtc s PRO 4 Ca 0.26 0.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.18 1jtc s PRO 4 Cb -0.10 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.43 1jtc s PRO 4 CO 0.18 -0.62 0.36 -0.35 0.04 0.00 0.00 177.00 176.61 1jtc n PRO 5 N -2.37 -0.55 -0.19 0.56 -0.04 -1.26 -4.95 135.00 126.20 1jtc n PRO 5 Ca 0.07 -0.56 0.02 0.00 -0.04 0.00 0.00 63.50 62.99 1jtc n PRO 5 Cb 0.54 -0.39 -0.01 0.00 -0.04 0.00 0.00 33.50 33.60 1jtc n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jtc n GLY 6 N 2.26 -2.26 0.00 0.55 0.00 -1.26 -5.05 105.19 99.44 1jtc n GLY 6 Ca 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1jtc n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jtc n ASN 7 N -2.60 1.87 -0.29 1.61 2.04 -1.26 -5.06 115.26 111.57 1jtc n ASN 7 Ca -0.01 -0.89 0.09 0.00 -0.44 0.00 0.00 54.58 53.32 1jtc n ASN 7 Cb 0.09 0.00 0.16 0.00 -2.53 0.00 0.00 39.78 37.50 1jtc n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1jtc n TYR 8 N -0.06 0.25 -0.23 -2.53 4.01 -1.26 -4.74 117.16 112.60 1jtc n TYR 8 Ca 0.00 -0.91 -0.06 0.00 -0.16 0.00 0.00 57.90 56.78 1jtc n TYR 8 Cb 0.00 -0.18 0.04 0.00 -0.31 0.00 0.00 39.34 38.90 1jtc n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jtc h LYS 9 N 0.52 0.86 -6.54 -0.72 6.56 -1.97 -3.44 116.57 111.84 1jtc h LYS 9 Ca 0.00 -0.07 -0.65 0.00 -1.06 0.00 0.00 60.65 58.87 1jtc h LYS 9 Cb 1.06 -0.18 -0.16 0.00 -0.57 0.00 0.00 32.23 32.37 1jtc h LYS 9 CO 0.06 0.60 -0.75 0.15 -2.06 0.00 0.00 179.45 177.45 1jtc s LYS 10 N -6.03 1.98 0.87 3.15 1.02 -1.26 -5.10 119.74 114.37 1jtc s LYS 10 Ca -0.13 -1.21 -0.11 0.00 0.02 0.00 0.00 55.97 54.55 1jtc s LYS 10 Cb 0.14 -2.16 0.12 0.00 -0.52 0.00 0.00 37.83 35.40 1jtc s LYS 10 CO 0.77 0.46 1.11 -1.25 -0.92 0.00 0.00 175.35 175.52 1jtc s PRO 11 N -2.53 1.39 0.14 -1.68 0.04 -1.26 -4.76 135.00 126.35 1jtc s PRO 11 Ca 0.22 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 62.45 1jtc s PRO 11 Cb -0.10 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 1jtc s PRO 11 CO 0.13 -2.27 0.18 0.15 0.04 0.00 0.00 177.00 175.23 1jtc s LYS 12 N -4.78 1.03 -0.06 4.56 -0.14 0.13 -4.25 119.74 116.24 1jtc s LYS 12 Ca 0.64 -1.26 -0.04 0.00 -1.36 0.00 0.00 55.97 53.95 1jtc s LYS 12 Cb -0.20 0.32 -0.04 0.00 -1.68 0.00 0.00 37.83 36.23 1jtc s LYS 12 CO 0.58 -0.34 0.15 -0.51 -0.76 0.00 0.00 175.35 174.47 1jtc s LEU 13 N -2.99 4.31 -0.48 3.17 1.43 0.50 -0.63 118.68 124.00 1jtc s LEU 13 Ca 0.19 0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1jtc s LEU 13 Cb 0.05 -2.34 0.13 0.00 0.03 0.00 0.00 46.19 44.06 1jtc s LEU 13 CO -0.00 0.33 0.29 -0.76 0.23 0.00 0.00 176.35 176.43 1jtc s LEU 14 N -1.52 5.28 -0.15 1.79 1.43 -1.26 -0.43 118.68 123.82 1jtc s LEU 14 Ca 0.21 -2.29 -0.19 0.00 -1.03 0.00 0.00 54.13 50.84 1jtc s LEU 14 Cb -0.12 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1jtc s LEU 14 CO 0.12 -0.50 0.51 -0.47 0.23 0.00 0.00 176.35 176.24 1jtc s TYR 15 N 0.77 3.45 -0.29 0.29 6.14 -0.28 -1.47 117.35 125.97 1jtc s TYR 15 Ca 0.11 0.86 -0.10 0.00 0.64 0.00 0.00 57.07 58.57 1jtc s TYR 15 Cb -0.22 -2.62 -0.03 0.00 0.42 0.00 0.00 41.96 39.51 1jtc s TYR 15 CO -0.04 0.05 0.17 0.00 0.64 0.00 0.00 175.55 176.36 1jtc h SER 17 N 8.36 0.00 -0.15 0.00 4.64 -1.84 -0.51 113.55 124.04 1jtc h SER 17 Ca -0.35 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1jtc h SER 17 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 1jtc h SER 17 CO 0.58 0.10 -0.53 -1.13 -0.87 0.00 0.00 176.83 174.97 1jtc h ASN 18 N 0.00 -1.70 -0.05 4.97 -1.24 -1.83 -3.21 115.58 112.52 1jtc h ASN 18 Ca -0.00 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1jtc h ASN 18 Cb 0.38 0.67 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1jtc h ASN 18 CO 0.01 -0.48 0.00 0.61 -1.29 0.00 0.00 177.43 176.29 1jtc n GLY 19 N -1.43 1.62 2.51 1.57 0.00 -1.24 -4.71 105.19 103.51 1jtc n GLY 19 Ca -0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1jtc n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtc n GLY 20 N -0.17 0.02 3.50 -0.02 0.00 -0.25 -4.94 105.19 103.34 1jtc n GLY 20 Ca 0.02 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1jtc n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jtc s HIS 21 N -3.20 2.45 -0.16 1.61 3.76 -0.91 -4.53 115.29 114.31 1jtc s HIS 21 Ca 0.12 -0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 54.63 1jtc s HIS 21 Cb -0.05 -1.17 -0.05 0.00 1.11 0.00 0.00 32.58 32.42 1jtc s HIS 21 CO 0.42 0.55 0.22 -0.06 -0.85 0.00 0.00 174.74 175.02 1jtc s PHE 22 N -1.87 3.48 0.34 1.40 0.08 0.27 -0.39 117.98 121.28 1jtc s PHE 22 Ca 0.25 0.52 -0.29 0.00 0.12 0.00 0.00 56.93 57.53 1jtc s PHE 22 Cb -0.08 -2.21 -0.12 0.00 -0.57 0.00 0.00 43.02 40.04 1jtc s PHE 22 CO 0.13 0.36 1.41 -0.11 -0.10 0.00 0.00 175.22 176.91 1jtc n LEU 23 N 3.19 4.03 -3.82 -0.37 7.94 -0.54 -1.09 117.00 126.34 1jtc n LEU 23 Ca -0.15 1.20 -0.13 0.00 -1.11 0.00 0.00 56.01 55.83 1jtc n LEU 23 Cb 0.52 -1.54 -0.13 0.00 0.53 0.00 0.00 43.42 42.80 1jtc n LEU 23 CO 0.37 -0.18 -0.26 -0.60 -1.11 0.00 0.00 177.39 175.61 1jtc s ARG 24 N -1.64 0.10 -0.28 1.96 3.52 0.70 -4.47 118.95 118.84 1jtc s ARG 24 Ca 0.57 0.17 0.01 0.00 -0.13 0.00 0.00 55.73 56.35 1jtc s ARG 24 Cb -0.54 0.00 0.06 0.00 -1.56 0.00 0.00 34.95 32.91 1jtc s ARG 24 CO 0.60 -0.04 -0.07 0.42 -0.81 0.00 0.00 175.30 175.40 1jtc s ILE 25 N 0.27 2.46 0.62 4.11 1.01 -1.16 -1.23 121.20 127.29 1jtc s ILE 25 Ca -0.02 -1.57 -0.13 0.00 0.00 0.00 0.00 60.65 58.93 1jtc s ILE 25 Cb -0.03 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1jtc s ILE 25 CO -0.01 -0.07 1.04 -0.76 0.00 0.00 0.00 174.94 175.14 1jtc s LEU 26 N 1.15 3.34 0.45 2.97 1.43 0.28 -4.84 118.68 123.46 1jtc s LEU 26 Ca -0.07 1.62 0.24 0.00 -1.03 0.00 0.00 54.13 54.88 1jtc s LEU 26 Cb -0.20 -4.50 1.24 0.00 0.03 0.00 0.00 46.19 42.76 1jtc s LEU 26 CO -0.04 -1.09 1.81 -0.65 0.23 0.00 0.00 176.35 176.61 1jtc h PRO 27 N -0.04 0.25 0.00 1.29 0.11 -1.99 0.38 132.00 132.01 1jtc h PRO 27 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jtc h PRO 27 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jtc h PRO 27 CO 0.59 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1jtc n ASP 28 N -4.46 0.00 0.00 -2.05 5.68 -1.26 -4.80 116.55 109.65 1jtc n ASP 28 Ca 0.23 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.21 1jtc n ASP 28 Cb 0.92 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 1jtc n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jtc n GLY 29 N 0.50 0.79 3.77 6.12 0.00 0.13 -4.97 105.19 111.54 1jtc n GLY 29 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1jtc n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jtc s THR 30 N -2.90 3.70 -0.04 2.61 2.01 -1.22 -1.73 115.64 118.07 1jtc s THR 30 Ca 0.00 1.47 0.06 0.00 0.31 0.00 0.00 61.69 63.53 1jtc s THR 30 Cb 0.00 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1jtc s THR 30 CO 0.00 0.17 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.18 1jtc s VAL 31 N -1.45 2.23 0.00 3.82 1.01 -1.26 0.10 120.40 124.85 1jtc s VAL 31 Ca 0.51 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1jtc s VAL 31 Cb -0.25 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1jtc s VAL 31 CO 0.32 0.58 0.00 -0.90 0.00 0.00 0.00 175.10 175.10 1jtc n ASP 32 N 2.64 0.00 -4.09 3.32 5.75 -0.36 -4.57 116.55 119.24 1jtc n ASP 32 Ca -0.17 -0.03 -0.17 0.00 -0.01 0.00 0.00 54.79 54.41 1jtc n ASP 32 Cb 0.52 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.48 1jtc n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jtc s GLY 33 N -0.38 0.62 0.05 6.12 0.00 0.56 -0.22 107.32 114.07 1jtc s GLY 33 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1jtc s GLY 33 CO 0.00 -0.72 -0.10 -1.08 0.00 0.00 0.00 173.10 171.20 1jtc s THR 34 N -0.91 0.77 -1.61 0.90 -1.32 -0.25 -4.77 115.64 108.44 1jtc s THR 34 Ca -0.02 -1.09 0.26 0.00 -1.21 0.00 0.00 61.69 59.63 1jtc s THR 34 Cb -0.08 -0.78 0.18 0.00 -1.51 0.00 0.00 72.50 70.32 1jtc s THR 34 CO 0.01 -0.26 1.48 0.54 -2.21 0.00 0.00 174.62 174.17 1jtc n ARG 35 N 1.54 0.69 -2.61 7.08 1.74 -1.26 0.93 116.66 124.77 1jtc n ARG 35 Ca -0.21 -0.43 -0.41 0.00 -0.77 0.00 0.00 57.85 56.03 1jtc n ARG 35 Cb 0.55 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 1jtc n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jtc s ASP 36 N -2.61 6.19 0.42 0.55 2.15 -1.26 -4.85 116.67 117.27 1jtc s ASP 36 Ca 0.21 -0.64 0.29 0.00 0.43 0.00 0.00 52.55 52.84 1jtc s ASP 36 Cb 0.19 -2.53 1.49 0.00 -0.30 0.00 0.00 42.92 41.77 1jtc s ASP 36 CO 0.57 -1.74 1.87 -0.09 -0.17 0.00 0.00 175.17 175.62 1jtc h ARG 37 N 9.92 0.00 -0.01 4.34 2.43 -2.00 0.09 114.38 129.15 1jtc h ARG 37 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1jtc h ARG 37 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1jtc h ARG 37 CO 1.27 0.00 -0.05 -1.13 -1.51 0.00 0.00 179.97 178.55 1jtc n SER 38 N -2.52 0.62 -4.72 -3.80 3.41 -1.26 -4.90 113.62 100.45 1jtc n SER 38 Ca -0.01 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.24 1jtc n SER 38 Cb 0.09 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1jtc n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jtc n ASP 39 N -0.66 2.89 -0.21 4.04 -0.08 0.01 -4.89 116.55 117.65 1jtc n ASP 39 Ca 0.18 1.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.77 1jtc n ASP 39 Cb 0.25 -1.52 0.58 0.00 2.34 0.00 0.00 41.12 42.77 1jtc n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jtc n GLN 40 N 0.27 0.98 -0.36 -0.67 1.13 -1.26 -3.91 117.38 113.56 1jtc n GLN 40 Ca 0.05 -0.43 0.08 0.00 -1.94 0.00 0.00 57.00 54.76 1jtc n GLN 40 Cb 0.38 -1.49 0.23 0.00 0.11 0.00 0.00 30.24 29.47 1jtc n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jtc n HIS 41 N -0.63 0.75 0.35 1.08 8.25 -1.26 -4.57 115.22 119.19 1jtc n HIS 41 Ca 0.16 -0.84 0.07 0.00 -0.26 0.00 0.00 57.72 56.86 1jtc n HIS 41 Cb 0.29 -0.25 0.10 0.00 1.12 0.00 0.00 29.99 31.25 1jtc n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jtc n ILE 42 N -0.50 0.31 -3.25 1.59 -5.35 -1.25 -2.98 119.36 107.93 1jtc n ILE 42 Ca 0.19 -0.65 -0.39 0.00 -0.27 0.00 0.00 62.75 61.62 1jtc n ILE 42 Cb 0.79 1.06 -0.07 0.00 -1.74 0.00 0.00 39.64 39.68 1jtc n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jtc s GLN 43 N -1.15 4.16 0.11 6.28 1.11 -1.26 -4.38 119.66 124.53 1jtc s GLN 43 Ca 0.21 0.39 0.09 0.00 0.01 0.00 0.00 55.36 56.05 1jtc s GLN 43 Cb 0.13 -3.58 -0.04 0.00 -1.01 0.00 0.00 33.01 28.52 1jtc s GLN 43 CO 0.19 -0.19 -0.23 -0.06 0.01 0.00 0.00 175.29 175.01 1jtc s PHE 44 N 1.78 1.93 -0.28 0.91 0.08 0.20 -1.49 117.98 121.10 1jtc s PHE 44 Ca 0.23 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.84 1jtc s PHE 44 Cb -0.15 -1.06 0.03 0.00 -0.57 0.00 0.00 43.02 41.27 1jtc s PHE 44 CO 0.09 0.24 0.01 -1.14 -0.10 0.00 0.00 175.22 174.31 1jtc s GLN 45 N -1.92 2.81 0.15 0.44 2.00 0.10 0.18 119.66 123.42 1jtc s GLN 45 Ca 0.08 -1.02 -0.07 0.00 -2.00 0.00 0.00 55.36 52.36 1jtc s GLN 45 Cb -0.10 -3.17 -0.06 0.00 0.80 0.00 0.00 33.01 30.48 1jtc s GLN 45 CO 0.05 -0.48 0.42 -0.51 -0.50 0.00 0.00 175.29 174.27 1jtc s LEU 46 N 1.37 4.26 -0.03 3.68 1.02 -1.26 -1.76 118.68 125.96 1jtc s LEU 46 Ca -0.00 0.70 -0.07 0.00 0.02 0.00 0.00 54.13 54.78 1jtc s LEU 46 Cb -0.18 -3.33 0.01 0.00 0.02 0.00 0.00 46.19 42.72 1jtc s LEU 46 CO -0.01 0.05 0.16 -0.94 0.02 0.00 0.00 176.35 175.62 1jtc s SER 47 N -2.28 -0.06 -0.16 2.29 1.04 -0.76 -4.69 113.70 109.06 1jtc s SER 47 Ca 0.41 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.69 1jtc s SER 47 Cb -0.12 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1jtc s SER 47 CO 0.23 -0.24 0.45 0.00 0.98 0.00 0.00 173.24 174.65 1jtc s ALA 48 N -0.77 3.52 0.00 5.32 0.00 -1.26 -0.88 121.76 127.69 1jtc s ALA 48 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1jtc s ALA 48 Cb -0.05 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.41 1jtc s ALA 48 CO 0.01 -0.18 0.00 -1.91 0.00 0.00 0.00 175.76 173.68 1jtc n GLU 49 N 4.16 0.00 -3.81 0.00 4.07 0.63 -4.96 120.64 120.72 1jtc n GLU 49 Ca -0.07 0.19 -0.23 0.00 -0.06 0.00 0.00 57.16 56.99 1jtc n GLU 49 Cb 0.51 -0.64 -0.05 0.00 -0.06 0.00 0.00 31.44 31.21 1jtc n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1jtc s SER 50 N -2.00 4.77 0.14 4.31 0.01 -1.25 -4.98 113.70 114.70 1jtc s SER 50 Ca 0.00 -0.91 -0.32 0.00 1.31 0.00 0.00 55.95 56.03 1jtc s SER 50 Cb 0.00 -0.47 -0.12 0.00 0.21 0.00 0.00 66.02 65.65 1jtc s SER 50 CO 0.00 -0.64 1.78 0.52 0.41 0.00 0.00 173.24 175.31 1jtc n VAL 51 N -1.44 0.23 -0.30 3.43 0.31 -1.26 -0.89 118.33 118.41 1jtc n VAL 51 Ca 0.01 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1jtc n VAL 51 Cb 0.63 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1jtc n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jtc n GLY 52 N 4.07 1.57 3.46 2.92 0.00 -1.26 -5.02 105.19 110.93 1jtc n GLY 52 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1jtc n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jtc s GLU 53 N -0.30 3.49 0.14 1.61 2.02 -0.07 -0.45 118.70 125.14 1jtc s GLU 53 Ca 0.00 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.43 1jtc s GLU 53 Cb 0.00 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 1jtc s GLU 53 CO 0.00 0.27 -0.04 0.14 0.02 0.00 0.00 175.26 175.65 1jtc s VAL 54 N 0.25 0.76 -0.02 2.63 -7.23 0.90 -0.27 120.40 117.42 1jtc s VAL 54 Ca -0.05 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.16 1jtc s VAL 54 Cb -0.14 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1jtc s VAL 54 CO 0.04 -0.66 -0.05 -0.31 -0.31 0.00 0.00 175.10 173.81 1jtc s TYR 55 N -3.60 2.96 -0.29 2.82 2.02 -0.06 -1.07 117.35 120.13 1jtc s TYR 55 Ca 0.18 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.93 1jtc s TYR 55 Cb 0.05 -1.65 0.08 0.00 -0.40 0.00 0.00 41.96 40.04 1jtc s TYR 55 CO 0.00 0.39 -0.03 0.42 -1.57 0.00 0.00 175.55 174.77 1jtc s ILE 56 N -0.97 2.04 -0.11 2.71 1.01 -1.26 -1.83 121.20 122.79 1jtc s ILE 56 Ca 0.16 -1.84 0.01 0.00 0.00 0.00 0.00 60.65 58.98 1jtc s ILE 56 Cb -0.11 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 1jtc s ILE 56 CO 0.07 -0.30 -0.14 -0.75 0.00 0.00 0.00 174.94 173.81 1jtc s LYS 57 N 1.10 3.12 0.06 2.79 2.20 -0.72 -0.71 119.74 127.58 1jtc s LYS 57 Ca 0.00 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 1jtc s LYS 57 Cb -0.19 -2.53 -0.09 0.00 -1.51 0.00 0.00 37.83 33.51 1jtc s LYS 57 CO -0.08 0.32 1.76 0.45 -0.36 0.00 0.00 175.35 177.44 1jtc s SER 58 N 0.07 6.53 0.31 1.43 0.15 0.96 0.02 113.70 123.18 1jtc s SER 58 Ca -0.06 2.56 0.25 0.00 0.70 0.00 0.00 55.95 59.40 1jtc s SER 58 Cb -0.15 -2.55 0.67 0.00 -1.71 0.00 0.00 66.02 62.28 1jtc s SER 58 CO 0.05 -0.96 1.72 0.71 1.20 0.00 0.00 173.24 175.96 1jtc h THR 59 N 5.05 0.00 0.01 6.45 1.35 -1.60 0.32 112.91 124.49 1jtc h THR 59 Ca -0.44 -0.66 -0.10 0.00 -0.55 0.00 0.00 66.41 64.66 1jtc h THR 59 Cb 1.21 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 1jtc h THR 59 CO 0.94 0.00 -0.51 -0.08 -0.25 0.00 0.00 175.52 175.62 1jtc h GLU 60 N 0.00 0.02 0.00 4.72 4.57 -1.81 -3.40 114.58 118.67 1jtc h GLU 60 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1jtc h GLU 60 Cb 0.81 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1jtc h GLU 60 CO 0.00 1.01 -1.92 0.25 -1.18 0.00 0.00 179.01 177.18 1jtc n THR 61 N -4.51 0.00 -0.94 0.32 -2.24 -1.25 -4.99 114.28 100.69 1jtc n THR 61 Ca -0.18 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1jtc n THR 61 Cb 0.58 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1jtc n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtc n GLY 62 N 1.33 0.87 3.78 3.38 0.00 0.11 -5.01 105.19 109.66 1jtc n GLY 62 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1jtc n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jtc s GLN 63 N -0.06 4.26 -0.08 1.61 -0.21 -1.25 -4.65 119.66 119.28 1jtc s GLN 63 Ca 0.00 1.57 -0.10 0.00 0.02 0.00 0.00 55.36 56.85 1jtc s GLN 63 Cb 0.00 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.29 1jtc s GLN 63 CO 0.00 -0.07 0.25 0.71 -2.12 0.00 0.00 175.29 174.06 1jtc s TYR 64 N -1.56 3.64 0.21 0.91 2.02 0.89 -0.03 117.35 123.44 1jtc s TYR 64 Ca 0.55 0.71 -0.30 0.00 -0.37 0.00 0.00 57.07 57.66 1jtc s TYR 64 Cb -0.24 -2.09 -0.09 0.00 -0.40 0.00 0.00 41.96 39.14 1jtc s TYR 64 CO 0.30 0.68 1.25 -1.17 -1.57 0.00 0.00 175.55 175.04 1jtc s LEU 65 N -0.98 4.44 0.08 -1.29 2.96 0.12 0.75 118.68 124.77 1jtc s LEU 65 Ca 0.18 2.36 -0.10 0.00 -0.22 0.00 0.00 54.13 56.35 1jtc s LEU 65 Cb -0.14 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1jtc s LEU 65 CO 0.08 -0.43 0.23 0.00 -1.32 0.00 0.00 176.35 174.90 1jtc s ALA 66 N -0.20 -0.38 -0.12 5.97 0.00 -0.01 -4.35 121.76 122.67 1jtc s ALA 66 Ca 0.53 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1jtc s ALA 66 Cb -0.35 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.26 1jtc s ALA 66 CO 0.39 -0.50 -0.18 1.41 0.00 0.00 0.00 175.76 176.88 1jtc s MET 67 N -3.60 2.59 0.82 0.00 1.75 -0.54 -0.23 119.30 120.09 1jtc s MET 67 Ca 0.03 -0.70 -0.14 0.00 -1.25 0.00 0.00 55.69 53.63 1jtc s MET 67 Cb 0.03 -2.15 0.19 0.00 2.84 0.00 0.00 34.83 35.74 1jtc s MET 67 CO -0.10 -0.05 1.06 -0.40 -0.65 0.00 0.00 175.02 174.89 1jtc n ASP 68 N 4.16 -0.12 0.27 1.11 5.68 0.61 -4.77 116.55 123.49 1jtc n ASP 68 Ca -0.19 -1.35 0.12 0.00 -0.50 0.00 0.00 54.79 52.86 1jtc n ASP 68 Cb 0.51 -0.83 0.77 0.00 -1.14 0.00 0.00 41.12 40.43 1jtc n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jtc h THR 69 N -1.72 0.68 -0.68 2.12 1.03 -2.01 -1.06 112.91 111.28 1jtc h THR 69 Ca -0.35 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 65.80 1jtc h THR 69 Cb 0.97 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 69.20 1jtc h THR 69 CO 0.24 0.06 0.00 0.47 -0.01 0.00 0.00 175.52 176.29 1jtc n ASP 70 N -3.94 3.81 0.00 0.00 8.00 -1.26 -4.92 116.55 118.23 1jtc n ASP 70 Ca -0.03 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1jtc n ASP 70 Cb 0.15 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1jtc n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jtc n GLY 71 N 1.51 0.64 3.78 0.44 0.00 -0.40 -4.66 105.19 106.50 1jtc n GLY 71 Ca 0.23 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1jtc n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jtc s LEU 72 N 0.00 4.40 0.32 0.99 1.43 -1.26 -0.83 118.68 123.74 1jtc s LEU 72 Ca 0.00 0.95 -0.26 0.00 -1.03 0.00 0.00 54.13 53.79 1jtc s LEU 72 Cb 0.00 -2.69 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 1jtc s LEU 72 CO 0.00 0.18 0.98 -0.76 0.23 0.00 0.00 176.35 176.98 1jtc s LEU 73 N -0.36 4.36 0.16 1.79 1.43 -1.26 -0.28 118.68 124.51 1jtc s LEU 73 Ca 0.26 1.93 -0.16 0.00 -1.03 0.00 0.00 54.13 55.13 1jtc s LEU 73 Cb -0.17 -3.96 0.03 0.00 0.03 0.00 0.00 46.19 42.12 1jtc s LEU 73 CO 0.13 -0.13 0.44 -0.72 0.23 0.00 0.00 176.35 176.30 1jtc s TYR 74 N -1.53 -0.11 -0.22 0.29 1.13 0.68 -4.57 117.35 113.02 1jtc s TYR 74 Ca 0.50 -0.22 -0.15 0.00 -1.41 0.00 0.00 57.07 55.79 1jtc s TYR 74 Cb -0.22 0.28 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 1jtc s TYR 74 CO 0.27 -0.79 0.37 0.20 -2.51 0.00 0.00 175.55 173.09 1jtc s GLY 75 N -2.85 2.03 -0.16 5.49 0.00 -0.70 -0.83 107.32 110.30 1jtc s GLY 75 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 1jtc s GLY 75 CO -0.07 0.81 0.12 -0.45 0.00 0.00 0.00 173.10 173.50 1jtc s SER 76 N 1.17 6.15 0.24 1.64 0.15 0.23 -4.76 113.70 118.52 1jtc s SER 76 Ca 0.17 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1jtc s SER 76 Cb -0.15 -2.02 0.27 0.00 -1.71 0.00 0.00 66.02 62.41 1jtc s SER 76 CO 0.08 0.29 1.62 1.56 1.20 0.00 0.00 173.24 177.99 1jtc h GLN 77 N 5.84 0.49 -6.63 5.44 1.08 -1.91 0.25 115.11 119.67 1jtc h GLN 77 Ca -0.47 -0.24 -0.64 0.00 -1.45 0.00 0.00 58.65 55.84 1jtc h GLN 77 Cb 1.19 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.40 1jtc h GLN 77 CO 0.66 0.81 -0.86 0.95 -0.95 0.00 0.00 178.83 179.45 1jtc s THR 78 N -4.23 2.06 0.16 -0.54 -4.23 -1.26 -4.79 115.64 102.81 1jtc s THR 78 Ca -0.07 -1.65 -0.30 0.00 -1.18 0.00 0.00 61.69 58.49 1jtc s THR 78 Cb 0.13 -1.83 -0.08 0.00 1.34 0.00 0.00 72.50 72.06 1jtc s THR 78 CO 0.81 0.06 1.18 -2.16 -0.54 0.00 0.00 174.62 173.97 1jtc s PRO 79 N -1.94 4.50 0.32 3.99 0.04 -1.26 -4.89 135.00 135.77 1jtc s PRO 79 Ca 0.11 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.99 1jtc s PRO 79 Cb -0.10 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1jtc s PRO 79 CO 0.05 -0.08 0.38 0.27 0.04 0.00 0.00 177.00 177.67 1jtc n ASN 80 N 2.72 -1.04 0.33 6.66 0.23 -1.26 -5.03 115.26 117.87 1jtc n ASN 80 Ca 0.05 -2.90 0.21 0.00 -0.53 0.00 0.00 54.58 51.41 1jtc n ASN 80 Cb 0.45 2.08 1.15 0.00 -2.08 0.00 0.00 39.78 41.38 1jtc n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1jtc h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 0.15 114.58 113.02 1jtc h GLU 81 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1jtc h GLU 81 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1jtc h GLU 81 CO 0.34 0.00 -0.08 0.39 0.07 0.00 0.00 179.01 179.73 1jtc n GLU 82 N -3.15 0.50 0.00 1.06 1.02 -1.26 -3.62 120.64 115.20 1jtc n GLU 82 Ca -0.03 -0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.11 1jtc n GLU 82 Cb 0.11 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.11 1jtc n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jtc s LEU 84 N -3.04 4.36 0.05 0.00 1.43 -1.24 -4.45 118.68 115.79 1jtc s LEU 84 Ca 0.09 1.27 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 1jtc s LEU 84 Cb 0.17 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1jtc s LEU 84 CO 0.78 -0.07 -0.16 -0.36 0.23 0.00 0.00 176.35 176.78 1jtc s PHE 85 N 0.50 1.40 -0.41 0.29 0.40 -0.23 -1.08 117.98 118.84 1jtc s PHE 85 Ca 0.38 -0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 56.11 1jtc s PHE 85 Cb -0.19 -0.82 0.02 0.00 0.51 0.00 0.00 43.02 42.54 1jtc s PHE 85 CO 0.20 0.06 0.73 -0.51 0.70 0.00 0.00 175.22 176.40 1jtc s LEU 86 N -1.25 4.27 -0.30 -0.37 1.43 0.96 -0.07 118.68 123.35 1jtc s LEU 86 Ca 0.03 -0.00 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 1jtc s LEU 86 Cb -0.08 -2.90 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 1jtc s LEU 86 CO 0.02 -0.79 0.64 -0.70 0.23 0.00 0.00 176.35 175.75 1jtc s GLU 87 N 3.04 3.93 0.14 1.70 2.12 0.40 -1.36 118.70 128.68 1jtc s GLU 87 Ca 0.28 0.35 0.05 0.00 0.36 0.00 0.00 54.97 56.00 1jtc s GLU 87 Cb -0.13 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1jtc s GLU 87 CO 0.19 -0.56 -0.11 1.03 -0.54 0.00 0.00 175.26 175.27 1jtc s ARG 88 N 2.62 1.05 0.30 4.30 1.81 -0.33 -4.74 118.95 123.97 1jtc s ARG 88 Ca 0.26 -1.40 -0.25 0.00 -1.72 0.00 0.00 55.73 52.62 1jtc s ARG 88 Cb -0.15 -0.68 -0.10 0.00 -0.45 0.00 0.00 34.95 33.57 1jtc s ARG 88 CO 0.11 0.10 0.91 -1.17 -0.68 0.00 0.00 175.30 174.57 1jtc s LEU 89 N -2.99 4.37 -0.01 2.53 2.96 -0.12 -0.49 118.68 124.93 1jtc s LEU 89 Ca 0.15 1.78 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 1jtc s LEU 89 Cb 0.01 -3.92 0.01 0.00 0.50 0.00 0.00 46.19 42.78 1jtc s LEU 89 CO 0.01 -0.03 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.31 1jtc s GLU 90 N -1.97 0.08 -1.39 1.98 2.56 0.62 -4.82 118.70 115.77 1jtc s GLU 90 Ca 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 54.97 55.45 1jtc s GLU 90 Cb -0.19 -0.12 0.01 0.00 2.00 0.00 0.00 34.13 35.82 1jtc s GLU 90 CO 0.24 -0.01 0.09 0.39 -0.56 0.00 0.00 175.26 175.41 1jtc n GLU 91 N 3.27 -2.36 0.00 4.30 1.02 -1.26 -0.42 120.64 125.20 1jtc n GLU 91 Ca -0.15 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1jtc n GLU 91 Cb 0.58 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 1jtc n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jtc n ASN 92 N -1.98 0.00 0.00 1.62 4.13 -1.26 -4.54 115.26 113.23 1jtc n ASN 92 Ca -0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.09 1jtc n ASN 92 Cb 0.64 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 1jtc n ASN 92 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1jtc n HIS 93 N -1.99 0.00 -3.05 3.10 8.25 -0.75 -5.11 115.22 115.66 1jtc n HIS 93 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1jtc n HIS 93 Cb 0.00 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.15 1jtc n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1jtc s TYR 94 N -0.38 2.00 -0.03 4.41 2.02 0.44 -4.89 117.35 120.92 1jtc s TYR 94 Ca 0.00 -0.59 0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1jtc s TYR 94 Cb 0.00 -2.27 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 1jtc s TYR 94 CO 0.00 -0.83 -0.13 -0.80 -1.57 0.00 0.00 175.55 172.22 1jtc s ASN 95 N -4.52 4.17 0.14 2.29 -0.87 0.76 -0.27 114.94 116.64 1jtc s ASN 95 Ca 0.58 -0.19 0.09 0.00 -1.57 0.00 0.00 52.86 51.77 1jtc s ASN 95 Cb -0.07 -0.89 -0.04 0.00 -0.02 0.00 0.00 41.25 40.22 1jtc s ASN 95 CO 0.36 0.33 -0.22 0.42 -2.57 0.00 0.00 177.10 175.42 1jtc s THR 96 N -0.81 1.98 -0.25 1.60 -4.23 0.35 -0.67 115.64 113.62 1jtc s THR 96 Ca 0.13 -1.78 -0.00 0.00 -1.18 0.00 0.00 61.69 58.86 1jtc s THR 96 Cb -0.11 -1.83 0.07 0.00 1.34 0.00 0.00 72.50 71.97 1jtc s THR 96 CO 0.02 -0.10 0.00 -0.31 -0.54 0.00 0.00 174.62 173.69 1jtc s TYR 97 N -1.46 2.04 -0.16 3.99 2.02 -1.26 -1.18 117.35 121.34 1jtc s TYR 97 Ca 0.13 -1.62 -0.12 0.00 -0.37 0.00 0.00 57.07 55.09 1jtc s TYR 97 Cb -0.09 -1.57 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1jtc s TYR 97 CO 0.06 -0.77 0.23 0.42 -1.57 0.00 0.00 175.55 173.92 1jtc s ILE 98 N 1.51 5.35 -0.01 2.71 1.01 -0.46 -0.93 121.20 130.38 1jtc s ILE 98 Ca -0.01 0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 1jtc s ILE 98 Cb -0.18 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 1jtc s ILE 98 CO -0.10 0.45 2.00 -0.24 0.00 0.00 0.00 174.94 177.05 1jtc n SER 99 N 3.22 3.97 -0.12 3.58 2.88 0.14 -0.03 113.62 127.27 1jtc n SER 99 Ca -0.14 0.82 -0.09 0.00 -1.33 0.00 0.00 58.87 58.13 1jtc n SER 99 Cb 0.52 -1.51 -0.01 0.00 -0.75 0.00 0.00 64.21 62.46 1jtc n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jtc h LYS 100 N 11.04 0.53 -0.92 -1.46 3.64 -1.43 0.75 116.57 128.72 1jtc h LYS 100 Ca -0.49 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 58.91 1jtc h LYS 100 Cb 1.24 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 1jtc h LYS 100 CO 0.94 0.42 0.57 -0.22 -2.27 0.00 0.00 179.45 178.90 1jtc h LYS 101 N 0.49 0.98 -0.65 1.90 3.64 -1.77 -2.57 116.57 118.59 1jtc h LYS 101 Ca 0.13 -0.06 -0.34 0.00 -1.27 0.00 0.00 60.65 59.12 1jtc h LYS 101 Cb 0.04 -0.22 -0.20 0.00 -0.41 0.00 0.00 32.23 31.44 1jtc h LYS 101 CO -0.02 0.65 0.26 0.72 -2.27 0.00 0.00 179.45 178.79 1jtc n HIS 102 N -4.60 2.01 -0.21 1.91 8.25 -1.08 -4.72 115.22 116.78 1jtc n HIS 102 Ca 0.14 -1.72 0.03 0.00 -0.26 0.00 0.00 57.72 55.91 1jtc n HIS 102 Cb 0.21 -0.71 0.29 0.00 1.12 0.00 0.00 29.99 30.90 1jtc n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jtc h ALA 103 N 1.01 1.56 0.00 -1.41 0.00 -0.42 -1.27 119.26 118.73 1jtc h ALA 103 Ca 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1jtc h ALA 103 Cb 2.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1jtc h ALA 103 CO 0.72 0.36 -0.05 1.05 0.00 0.00 0.00 179.25 181.34 1jtc h GLU 104 N 0.92 0.00 -0.02 0.00 9.09 -1.85 -1.58 114.58 121.14 1jtc h GLU 104 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 1jtc h GLU 104 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1jtc h GLU 104 CO -0.09 0.05 -0.04 1.63 0.05 0.00 0.00 179.01 180.61 1jtc n LYS 105 N -3.42 1.77 -3.52 1.06 5.02 -0.49 -4.97 118.16 113.61 1jtc n LYS 105 Ca -0.02 -1.21 -0.22 0.00 -2.02 0.00 0.00 58.31 54.84 1jtc n LYS 105 Cb 0.18 -1.47 0.05 0.00 -0.02 0.00 0.00 35.03 33.77 1jtc n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jtc n ASN 106 N 0.44 -4.38 -4.62 4.39 4.13 -0.59 -4.95 115.26 109.68 1jtc n ASN 106 Ca 0.17 -0.83 -0.38 0.00 1.68 0.00 0.00 54.58 55.22 1jtc n ASN 106 Cb 0.43 -4.31 -0.10 0.00 -1.54 0.00 0.00 39.78 34.26 1jtc n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jtc s TRP 107 N -3.49 3.27 0.33 3.10 0.52 -1.23 -4.48 118.94 116.96 1jtc s TRP 107 Ca 0.30 0.28 0.09 0.00 0.02 0.00 0.00 56.10 56.79 1jtc s TRP 107 Cb -0.07 -2.42 -0.05 0.00 -1.15 0.00 0.00 33.47 29.78 1jtc s TRP 107 CO 0.80 -0.10 0.02 -0.06 0.02 0.00 0.00 176.95 177.62 1jtc s PHE 108 N 1.61 2.56 0.05 -1.98 0.40 -1.26 -0.68 117.98 118.67 1jtc s PHE 108 Ca 0.11 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 55.73 1jtc s PHE 108 Cb -0.15 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1jtc s PHE 108 CO 0.09 0.48 0.95 0.08 0.70 0.00 0.00 175.22 177.52 1jtc s VAL 109 N -2.50 4.71 -0.02 -0.44 1.01 -0.10 -4.63 120.40 118.43 1jtc s VAL 109 Ca 0.35 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 64.06 1jtc s VAL 109 Cb -0.01 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.16 1jtc s VAL 109 CO 0.19 0.24 0.76 -0.83 0.00 0.00 0.00 175.10 175.47 1jtc s GLY 110 N 0.50 -0.51 -0.03 4.51 0.00 -1.26 -4.44 107.32 106.10 1jtc s GLY 110 Ca 0.49 1.22 0.06 0.00 0.00 0.00 0.00 44.72 46.49 1jtc s GLY 110 CO 0.28 0.69 -0.20 1.08 0.00 0.00 0.00 173.10 174.96 1jtc s LEU 111 N -1.74 2.01 0.78 0.66 1.43 -0.29 -0.86 118.68 120.66 1jtc s LEU 111 Ca -0.04 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1jtc s LEU 111 Cb -0.00 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.23 1jtc s LEU 111 CO -0.00 0.22 1.14 -0.54 0.23 0.00 0.00 176.35 177.40 1jtc s LYS 112 N -0.29 2.26 0.57 1.70 1.02 0.12 -4.41 119.74 120.72 1jtc s LYS 112 Ca 0.03 0.29 0.27 0.00 0.02 0.00 0.00 55.97 56.58 1jtc s LYS 112 Cb -0.09 -1.97 1.62 0.00 -0.52 0.00 0.00 37.83 36.87 1jtc s LYS 112 CO 0.01 -1.42 2.14 0.87 -0.92 0.00 0.00 175.35 176.02 1jtc h LYS 113 N -0.93 0.00 -0.11 1.68 1.57 -1.87 0.14 116.57 117.04 1jtc h LYS 113 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1jtc h LYS 113 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1jtc h LYS 113 CO 0.65 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.80 1jtc n ASN 114 N -3.98 1.10 0.00 0.86 0.23 -1.26 -4.49 115.26 107.72 1jtc n ASN 114 Ca 0.00 -1.63 0.00 0.00 -0.53 0.00 0.00 54.58 52.43 1jtc n ASN 114 Cb 0.25 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 1jtc n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jtc n GLY 115 N 1.00 0.79 3.86 4.83 0.00 0.04 -4.98 105.19 110.73 1jtc n GLY 115 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1jtc n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jtc s SER 116 N -2.67 6.70 0.47 1.61 1.04 -1.26 -0.32 113.70 119.27 1jtc s SER 116 Ca 0.00 0.92 -0.22 0.00 0.48 0.00 0.00 55.95 57.13 1jtc s SER 116 Cb 0.00 -2.23 -0.07 0.00 0.10 0.00 0.00 66.02 63.82 1jtc s SER 116 CO 0.00 0.09 1.12 0.00 0.98 0.00 0.00 173.24 175.43 1jtc s LYS 118 N -2.85 3.91 0.12 0.00 1.02 -0.04 -4.81 119.74 117.09 1jtc s LYS 118 Ca 0.65 0.44 -0.26 0.00 0.02 0.00 0.00 55.97 56.82 1jtc s LYS 118 Cb -0.25 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.30 1jtc s LYS 118 CO 0.30 0.34 0.81 0.50 -0.92 0.00 0.00 175.35 176.37 1jtc s ARG 119 N -2.57 4.58 0.08 1.68 3.52 -1.26 -4.68 118.95 120.30 1jtc s ARG 119 Ca 0.46 1.18 -0.15 0.00 -0.13 0.00 0.00 55.73 57.09 1jtc s ARG 119 Cb -0.12 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1jtc s ARG 119 CO 0.20 0.41 0.83 0.41 -0.81 0.00 0.00 175.30 176.34 1jtc n GLY 120 N 1.99 -1.53 0.20 8.12 0.00 -0.01 -0.20 105.19 113.76 1jtc n GLY 120 Ca -0.03 0.63 0.14 0.00 0.00 0.00 0.00 46.02 46.76 1jtc n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jtc h PRO 121 N 0.00 0.00 -0.01 1.61 0.10 -1.88 0.01 132.00 131.82 1jtc h PRO 121 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.18 1jtc h PRO 121 Cb 0.20 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.30 1jtc h PRO 121 CO -0.46 0.00 -0.11 0.54 0.10 0.00 0.00 178.00 178.08 1jtc n ARG 122 N -2.51 1.39 -3.67 1.05 5.12 0.71 -4.88 116.66 113.88 1jtc n ARG 122 Ca -0.01 -0.85 -0.23 0.00 -1.93 0.00 0.00 57.85 54.84 1jtc n ARG 122 Cb 0.11 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 1jtc n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jtc s THR 123 N -2.19 5.18 -0.08 0.55 -4.23 -0.01 -4.94 115.64 109.91 1jtc s THR 123 Ca 0.32 -0.72 -0.31 0.00 -1.18 0.00 0.00 61.69 59.80 1jtc s THR 123 Cb 0.20 -3.86 0.12 0.00 1.34 0.00 0.00 72.50 70.30 1jtc s THR 123 CO 0.41 -0.44 1.02 -1.38 -0.54 0.00 0.00 174.62 173.68 1jtc s HIS 124 N -2.15 -0.26 0.54 3.99 -3.43 -1.26 -4.82 115.29 107.90 1jtc s HIS 124 Ca 0.37 0.17 -0.21 0.00 -0.80 0.00 0.00 55.06 54.58 1jtc s HIS 124 Cb -0.09 0.53 -0.06 0.00 -1.43 0.00 0.00 32.58 31.53 1jtc s HIS 124 CO 0.33 -0.40 1.25 0.66 -2.00 0.00 0.00 174.74 174.57 1jtc n TYR 125 N -0.16 1.90 0.00 0.38 4.01 -1.26 -2.65 117.16 119.38 1jtc n TYR 125 Ca -0.05 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 1jtc n TYR 125 Cb 0.60 -2.31 0.00 0.00 -0.31 0.00 0.00 39.34 37.33 1jtc n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jtc n GLY 126 N 0.90 1.65 3.87 2.72 0.00 -1.26 -5.07 105.19 108.01 1jtc n GLY 126 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1jtc n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jtc s GLN 127 N -0.93 3.80 0.12 1.61 -0.21 -1.09 -4.98 119.66 117.97 1jtc s GLN 127 Ca 0.00 0.50 0.03 0.00 0.02 0.00 0.00 55.36 55.91 1jtc s GLN 127 Cb 0.00 -2.38 -0.19 0.00 1.00 0.00 0.00 33.01 31.43 1jtc s GLN 127 CO 0.00 -0.03 1.26 0.87 -2.12 0.00 0.00 175.29 175.26 1jtc h LYS 128 N 1.31 0.11 -0.12 2.91 6.56 -1.97 -3.32 116.57 122.04 1jtc h LYS 128 Ca -0.47 -0.17 0.04 0.00 -1.06 0.00 0.00 60.65 58.98 1jtc h LYS 128 Cb 1.19 0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1jtc h LYS 128 CO 0.64 1.05 0.15 0.00 -2.06 0.00 0.00 179.45 179.23 1jtc h ALA 129 N 0.87 1.68 -0.01 3.86 0.00 -1.94 -2.11 119.26 121.62 1jtc h ALA 129 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jtc h ALA 129 Cb 1.79 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1jtc h ALA 129 CO 0.15 -0.21 -0.26 0.44 0.00 0.00 0.00 179.25 179.36 1jtc n ILE 130 N -3.74 0.00 -3.06 0.00 -5.35 -1.25 -1.14 119.36 104.82 1jtc n ILE 130 Ca 0.00 -0.09 -0.41 0.00 -0.27 0.00 0.00 62.75 61.98 1jtc n ILE 130 Cb 0.26 0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 38.36 1jtc n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jtc s LEU 131 N -2.59 4.11 0.11 7.28 1.43 -0.79 -4.41 118.68 123.80 1jtc s LEU 131 Ca 0.23 0.58 0.09 0.00 -1.03 0.00 0.00 54.13 53.99 1jtc s LEU 131 Cb 0.19 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1jtc s LEU 131 CO 0.54 -0.49 -0.20 -0.36 0.23 0.00 0.00 176.35 176.07 1jtc s PHE 132 N 2.68 2.48 -0.18 0.29 0.40 0.15 -3.44 117.98 120.36 1jtc s PHE 132 Ca 0.28 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.32 1jtc s PHE 132 Cb -0.15 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.07 1jtc s PHE 132 CO 0.11 0.35 -0.12 -1.17 0.70 0.00 0.00 175.22 175.09 1jtc s LEU 133 N -1.98 2.07 -0.16 -0.37 2.96 0.32 -0.17 118.68 121.35 1jtc s LEU 133 Ca 0.16 -0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 53.04 1jtc s LEU 133 Cb -0.10 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 1jtc s LEU 133 CO 0.08 -0.11 1.22 -2.16 -1.32 0.00 0.00 176.35 174.06 1jtc s PRO 134 N 1.42 4.26 0.16 0.98 0.04 -1.26 -1.13 135.00 139.47 1jtc s PRO 134 Ca 0.01 1.62 0.09 0.00 0.04 0.00 0.00 61.00 62.75 1jtc s PRO 134 Cb -0.15 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.64 1jtc s PRO 134 CO -0.09 -0.65 -0.11 -0.51 0.04 0.00 0.00 177.00 175.68 1jtc s LEU 135 N 3.24 2.93 0.48 -3.56 1.43 0.43 -4.92 118.68 118.71 1jtc s LEU 135 Ca 0.53 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1jtc s LEU 135 Cb -0.21 -1.66 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 1jtc s LEU 135 CO 0.15 0.13 1.21 -2.84 0.23 0.00 0.00 176.35 175.22 1jtc s PRO 136 N -2.60 3.59 0.00 1.29 0.01 -1.26 -0.37 135.00 135.66 1jtc s PRO 136 Ca 0.23 1.88 0.30 0.00 0.01 0.00 0.00 61.00 63.42 1jtc s PRO 136 Cb -0.09 -2.35 1.82 0.00 0.01 0.00 0.00 34.50 33.88 1jtc s PRO 136 CO 0.14 -0.72 2.15 0.28 0.01 0.00 0.00 177.00 178.85