#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 1.06 -2.68 -1.40 7.35 -1.26 -5.02 117.46 115.51 1jtc n PHE 1 Ca 0.00 -1.63 -0.43 0.00 -0.76 0.00 0.00 57.45 54.64 1jtc n PHE 1 Cb 0.00 -0.25 -0.02 0.00 0.35 0.00 0.00 39.48 39.56 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 -3.20 6.95 0.02 -2.13 0.01 -1.26 -5.02 114.94 110.32 1jtc s ASN 2 Ca 0.38 1.10 -0.01 0.00 -0.71 0.00 0.00 52.86 53.62 1jtc s ASN 2 Cb 0.37 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 1jtc s ASN 2 CO -0.06 -0.79 0.16 -0.76 -1.51 0.00 0.00 177.10 174.15 1jtc s LEU 3 N 3.44 4.22 0.56 0.60 1.43 -1.26 -0.76 118.68 126.91 1jtc s LEU 3 Ca 0.43 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.71 1jtc s LEU 3 Cb -0.13 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1jtc s LEU 3 CO 0.12 0.22 0.90 -2.16 0.23 0.00 0.00 176.35 175.66 1jtc s PRO 4 N -2.14 3.29 0.71 1.29 0.04 -1.26 -4.61 135.00 132.32 1jtc s PRO 4 Ca 0.29 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.48 1jtc s PRO 4 Cb -0.13 -2.25 0.02 0.00 0.04 0.00 0.00 34.50 32.18 1jtc s PRO 4 CO 0.21 -0.51 1.10 -1.25 0.04 0.00 0.00 177.00 176.59 1jtc s PRO 5 N -4.96 2.82 0.00 0.56 0.04 -1.26 -4.96 135.00 127.24 1jtc s PRO 5 Ca 0.52 0.47 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1jtc s PRO 5 Cb -0.11 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1jtc s PRO 5 CO 0.47 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1jtc n GLY 6 N -2.97 0.59 3.77 0.56 0.00 -1.26 -5.11 105.19 100.77 1jtc n GLY 6 Ca 0.07 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 1jtc n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtc s ASN 7 N -2.65 -0.14 -0.02 1.61 2.20 -1.26 -5.07 114.94 109.61 1jtc s ASN 7 Ca 0.00 -0.79 0.18 0.00 -0.94 0.00 0.00 52.86 51.31 1jtc s ASN 7 Cb 0.00 0.70 0.55 0.00 -2.00 0.00 0.00 41.25 40.51 1jtc s ASN 7 CO 0.00 -1.34 1.46 -1.22 -2.94 0.00 0.00 177.10 173.07 1jtc n TYR 8 N -0.45 0.88 -0.06 1.54 4.01 -1.26 -4.69 117.16 117.13 1jtc n TYR 8 Ca -0.04 -0.52 -0.08 0.00 -0.16 0.00 0.00 57.90 57.10 1jtc n TYR 8 Cb 0.60 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.57 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 3.52 -0.19 -6.18 -0.72 1.57 -1.98 -3.43 116.57 109.17 1jtc h LYS 9 Ca 0.00 0.01 -0.50 0.00 -1.87 0.00 0.00 60.65 58.29 1jtc h LYS 9 Cb 0.98 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1jtc h LYS 9 CO 0.03 -0.13 -0.49 0.15 -0.57 0.00 0.00 179.45 178.44 1jtc s LYS 10 N -6.11 3.15 0.76 3.15 1.02 -1.26 -5.04 119.74 115.40 1jtc s LYS 10 Ca -0.15 -0.87 -0.12 0.00 0.02 0.00 0.00 55.97 54.85 1jtc s LYS 10 Cb 0.12 -2.73 0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1jtc s LYS 10 CO 0.68 0.44 1.11 -2.14 -0.92 0.00 0.00 175.35 174.52 1jtc s PRO 11 N -3.70 2.26 0.18 -1.68 0.02 -1.26 -4.73 135.00 126.09 1jtc s PRO 11 Ca 0.33 1.30 -0.01 0.00 0.02 0.00 0.00 61.00 62.64 1jtc s PRO 11 Cb -0.09 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1jtc s PRO 11 CO 0.26 -1.66 0.10 0.15 -0.33 0.00 0.00 177.00 175.52 1jtc s LYS 12 N -4.61 1.10 0.05 5.54 1.02 0.12 -2.21 119.74 120.76 1jtc s LYS 12 Ca 0.64 -1.56 0.03 0.00 0.02 0.00 0.00 55.97 55.10 1jtc s LYS 12 Cb -0.19 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 1jtc s LYS 12 CO 0.52 -0.33 0.01 -0.51 -0.92 0.00 0.00 175.35 174.11 1jtc s LEU 13 N -3.12 3.51 -0.45 3.17 1.43 0.06 -0.11 118.68 123.16 1jtc s LEU 13 Ca 0.33 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1jtc s LEU 13 Cb 0.07 -2.16 0.12 0.00 0.03 0.00 0.00 46.19 44.26 1jtc s LEU 13 CO 0.08 0.21 0.25 -0.76 0.23 0.00 0.00 176.35 176.36 1jtc s LEU 14 N -2.03 5.17 -0.23 1.79 1.43 -1.26 -0.61 118.68 122.94 1jtc s LEU 14 Ca 0.24 -2.26 -0.17 0.00 -1.03 0.00 0.00 54.13 50.90 1jtc s LEU 14 Cb -0.12 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1jtc s LEU 14 CO 0.16 -0.48 0.48 -0.47 0.23 0.00 0.00 176.35 176.26 1jtc s TYR 15 N 0.80 3.33 -0.33 0.29 5.04 -0.16 -0.80 117.35 125.52 1jtc s TYR 15 Ca 0.11 0.66 -0.16 0.00 -2.44 0.00 0.00 57.07 55.23 1jtc s TYR 15 Cb -0.22 -2.64 -0.01 0.00 0.35 0.00 0.00 41.96 39.43 1jtc s TYR 15 CO -0.04 -0.15 0.42 0.00 -1.34 0.00 0.00 175.55 174.44 1jtc h SER 17 N 8.40 0.48 -0.82 0.00 4.64 -1.81 0.20 113.55 124.63 1jtc h SER 17 Ca -0.29 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 1jtc h SER 17 Cb 1.14 -0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 63.01 1jtc h SER 17 CO 0.71 0.39 -0.51 -1.13 -0.87 0.00 0.00 176.83 175.42 1jtc h ASN 18 N 0.55 -1.86 -0.01 4.97 -1.24 -1.81 -3.06 115.58 113.12 1jtc h ASN 18 Ca 0.14 0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.43 1jtc h ASN 18 Cb 0.01 0.82 0.00 0.00 0.73 0.00 0.00 38.32 39.88 1jtc h ASN 18 CO -0.02 -0.21 0.00 0.61 -1.29 0.00 0.00 177.43 176.51 1jtc n GLY 19 N -1.23 -0.68 2.03 1.57 0.00 -1.24 -4.72 105.19 100.92 1jtc n GLY 19 Ca 0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 0.05 0.12 3.28 -0.02 0.00 0.61 -4.97 105.19 104.26 1jtc n GLY 20 Ca 0.01 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.14 1.84 -0.11 1.61 3.76 -0.69 -4.58 115.29 113.98 1jtc s HIS 21 Ca 0.06 -0.39 -0.18 0.00 -0.15 0.00 0.00 55.06 54.39 1jtc s HIS 21 Cb -0.01 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.58 1jtc s HIS 21 CO 0.29 0.16 0.48 -0.06 -0.85 0.00 0.00 174.74 174.76 1jtc s PHE 22 N -0.97 3.53 0.35 1.40 0.08 0.53 0.14 117.98 123.03 1jtc s PHE 22 Ca 0.07 0.91 -0.29 0.00 0.12 0.00 0.00 56.93 57.75 1jtc s PHE 22 Cb -0.09 -2.55 -0.11 0.00 -0.57 0.00 0.00 43.02 39.69 1jtc s PHE 22 CO 0.03 0.19 1.53 -0.11 -0.10 0.00 0.00 175.22 176.76 1jtc n LEU 23 N 3.57 4.60 -3.87 -0.37 7.94 0.02 -1.59 117.00 127.31 1jtc n LEU 23 Ca -0.07 1.20 -0.16 0.00 -1.11 0.00 0.00 56.01 55.87 1jtc n LEU 23 Cb 0.52 -1.61 -0.15 0.00 0.53 0.00 0.00 43.42 42.71 1jtc n LEU 23 CO 0.43 0.15 -0.38 -0.60 -1.11 0.00 0.00 177.39 175.88 1jtc s ARG 24 N -1.50 0.29 -0.31 1.96 3.52 0.15 -4.38 118.95 118.67 1jtc s ARG 24 Ca 0.57 -0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1jtc s ARG 24 Cb -0.49 -0.36 0.07 0.00 -1.56 0.00 0.00 34.95 32.61 1jtc s ARG 24 CO 0.58 -0.03 0.01 0.42 -0.81 0.00 0.00 175.30 175.47 1jtc s ILE 25 N 0.45 2.78 0.73 4.11 1.01 -0.99 -0.45 121.20 128.85 1jtc s ILE 25 Ca -0.04 -1.63 -0.11 0.00 0.00 0.00 0.00 60.65 58.86 1jtc s ILE 25 Cb -0.07 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.73 1jtc s ILE 25 CO -0.01 -0.22 1.07 -0.76 0.00 0.00 0.00 174.94 175.02 1jtc s LEU 26 N 1.17 2.99 0.53 2.97 1.43 0.14 -4.83 118.68 123.08 1jtc s LEU 26 Ca -0.02 1.58 0.21 0.00 -1.03 0.00 0.00 54.13 54.87 1jtc s LEU 26 Cb -0.20 -4.37 1.36 0.00 0.03 0.00 0.00 46.19 43.00 1jtc s LEU 26 CO -0.03 -1.66 2.09 -0.65 0.23 0.00 0.00 176.35 176.33 1jtc h PRO 27 N -0.87 0.00 0.00 1.29 0.11 -1.99 0.16 132.00 130.71 1jtc h PRO 27 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jtc h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jtc h PRO 27 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1jtc n ASP 28 N -4.41 0.00 0.00 -2.05 5.68 -1.26 -4.83 116.55 109.67 1jtc n ASP 28 Ca 0.02 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.44 1jtc n ASP 28 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.69 0.71 3.77 6.12 0.00 0.57 -4.97 105.19 112.08 1jtc n GLY 29 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1jtc n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jtc s THR 30 N -2.34 4.05 -0.06 2.61 -1.32 -1.24 -1.63 115.64 115.71 1jtc s THR 30 Ca 0.00 1.75 0.04 0.00 -1.21 0.00 0.00 61.69 62.28 1jtc s THR 30 Cb 0.00 -4.00 -0.02 0.00 -1.51 0.00 0.00 72.50 66.97 1jtc s THR 30 CO 0.00 0.19 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.73 1jtc s VAL 31 N -1.52 2.70 0.00 5.08 1.01 -1.26 0.26 120.40 126.67 1jtc s VAL 31 Ca 0.50 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1jtc s VAL 31 Cb -0.21 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1jtc s VAL 31 CO 0.27 0.58 0.00 -0.90 0.00 0.00 0.00 175.10 175.05 1jtc n ASP 32 N 2.59 0.00 -4.14 3.32 5.75 0.40 -4.41 116.55 120.06 1jtc n ASP 32 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.47 1jtc n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.31 0.72 0.02 6.12 0.00 0.68 0.32 107.32 114.88 1jtc s GLY 33 Ca 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1jtc s GLY 33 CO 0.00 -1.12 0.06 -1.08 0.00 0.00 0.00 173.10 170.96 1jtc s THR 34 N -2.15 0.12 -1.40 0.90 -1.32 -0.62 -4.80 115.64 106.36 1jtc s THR 34 Ca 0.00 -0.97 0.25 0.00 -1.21 0.00 0.00 61.69 59.76 1jtc s THR 34 Cb -0.05 -0.62 0.10 0.00 -1.51 0.00 0.00 72.50 70.43 1jtc s THR 34 CO -0.00 -0.54 1.42 0.54 -2.21 0.00 0.00 174.62 173.83 1jtc n ARG 35 N 1.16 0.45 -2.56 7.08 1.74 -1.26 -0.35 116.66 122.93 1jtc n ARG 35 Ca -0.21 -0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 56.17 1jtc n ARG 35 Cb 0.57 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.74 6.16 0.62 0.55 2.15 -1.26 -4.87 116.67 117.28 1jtc s ASP 36 Ca 0.17 -0.47 0.42 0.00 0.43 0.00 0.00 52.55 53.10 1jtc s ASP 36 Cb 0.18 -2.56 2.24 0.00 -0.30 0.00 0.00 42.92 42.49 1jtc s ASP 36 CO 0.63 -1.83 2.28 0.08 -0.17 0.00 0.00 175.17 176.16 1jtc h ARG 37 N 10.01 0.00 0.00 4.34 0.11 -2.01 -1.05 114.38 125.78 1jtc h ARG 37 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1jtc h ARG 37 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 1jtc h ARG 37 CO 1.28 0.00 -0.08 -1.13 0.10 0.00 0.00 179.97 180.13 1jtc n SER 38 N -2.99 0.26 -4.61 0.08 3.41 -1.26 -4.88 113.62 103.62 1jtc n SER 38 Ca -0.03 0.42 -0.47 0.00 -0.26 0.00 0.00 58.87 58.53 1jtc n SER 38 Cb 0.08 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.69 1.75 -0.07 4.04 -0.08 -0.40 -4.87 116.55 115.23 1jtc n ASP 39 Ca 0.06 1.15 0.14 0.00 -1.51 0.00 0.00 54.79 54.64 1jtc n ASP 39 Cb 0.36 -1.29 0.65 0.00 2.34 0.00 0.00 41.12 43.18 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 1.61 0.57 -0.51 -0.67 1.13 -1.26 -3.93 117.38 114.32 1jtc n GLN 40 Ca 0.13 -0.14 0.06 0.00 -1.94 0.00 0.00 57.00 55.11 1jtc n GLN 40 Cb 0.28 -1.50 0.25 0.00 0.11 0.00 0.00 30.24 29.38 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 -1.09 1.00 -0.25 1.08 8.25 -1.26 -4.55 115.22 118.39 1jtc n HIS 41 Ca 0.14 -0.99 0.05 0.00 -0.26 0.00 0.00 57.72 56.66 1jtc n HIS 41 Cb 0.27 -0.35 0.15 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.61 1.15 -4.18 1.59 -5.35 -1.25 -2.34 119.36 108.37 1jtc n ILE 42 Ca 0.24 -1.11 -0.34 0.00 -0.27 0.00 0.00 62.75 61.26 1jtc n ILE 42 Cb 0.93 0.41 -0.11 0.00 -1.74 0.00 0.00 39.64 39.12 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 -1.22 3.75 0.06 6.28 1.11 -1.26 -4.32 119.66 124.07 1jtc s GLN 43 Ca 0.23 -0.46 0.06 0.00 0.01 0.00 0.00 55.36 55.19 1jtc s GLN 43 Cb 0.13 -3.06 -0.03 0.00 -1.01 0.00 0.00 33.01 29.04 1jtc s GLN 43 CO 0.13 0.18 -0.16 -0.06 0.01 0.00 0.00 175.29 175.39 1jtc s PHE 44 N 0.57 1.36 -0.35 0.91 0.08 0.85 -1.39 117.98 120.02 1jtc s PHE 44 Ca -0.00 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.53 1jtc s PHE 44 Cb -0.14 -0.78 0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1jtc s PHE 44 CO 0.02 0.08 0.20 -1.14 -0.10 0.00 0.00 175.22 174.28 1jtc s GLN 45 N -1.51 3.16 0.20 0.44 2.00 0.28 0.15 119.66 124.38 1jtc s GLN 45 Ca 0.01 -0.86 -0.09 0.00 -2.00 0.00 0.00 55.36 52.43 1jtc s GLN 45 Cb -0.09 -3.71 -0.07 0.00 0.80 0.00 0.00 33.01 29.94 1jtc s GLN 45 CO 0.02 -0.55 0.50 -0.51 -0.50 0.00 0.00 175.29 174.25 1jtc s LEU 46 N 1.62 4.20 -0.02 3.68 1.02 -1.26 -1.11 118.68 126.82 1jtc s LEU 46 Ca 0.04 0.84 -0.15 0.00 0.02 0.00 0.00 54.13 54.88 1jtc s LEU 46 Cb -0.18 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.49 1jtc s LEU 46 CO 0.08 -0.03 0.32 -0.94 0.02 0.00 0.00 176.35 175.80 1jtc s SER 47 N -2.35 -0.21 0.24 2.29 1.04 -0.74 -4.79 113.70 109.18 1jtc s SER 47 Ca 0.45 0.13 -0.00 0.00 0.48 0.00 0.00 55.95 57.01 1jtc s SER 47 Cb -0.12 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1jtc s SER 47 CO 0.22 -0.44 0.43 0.00 0.98 0.00 0.00 173.24 174.43 1jtc s ALA 48 N -1.26 3.79 0.00 5.32 0.00 -1.26 -0.39 121.76 127.96 1jtc s ALA 48 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1jtc s ALA 48 Cb -0.05 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1jtc s ALA 48 CO 0.04 0.32 0.00 -1.91 0.00 0.00 0.00 175.76 174.21 1jtc n GLU 49 N -0.96 0.00 -2.38 0.00 4.07 -0.46 -4.90 120.64 116.02 1jtc n GLU 49 Ca -0.05 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.80 1jtc n GLU 49 Cb 0.55 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.03 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 -0.12 4.38 0.17 4.31 0.01 -1.26 -4.91 113.70 116.27 1jtc s SER 50 Ca 0.00 0.01 -0.32 0.00 1.31 0.00 0.00 55.95 56.94 1jtc s SER 50 Cb 0.00 -0.47 -0.12 0.00 0.21 0.00 0.00 66.02 65.64 1jtc s SER 50 CO 0.00 -1.85 1.71 0.52 0.41 0.00 0.00 173.24 174.03 1jtc n VAL 51 N -2.96 0.08 -0.30 3.43 0.31 -1.26 -1.70 118.33 115.94 1jtc n VAL 51 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1jtc n VAL 51 Cb 0.60 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 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 3.88 1.46 3.56 2.92 0.00 -1.26 -5.03 105.19 110.71 1jtc n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.34 3.08 0.07 1.61 2.02 -0.69 -0.99 118.70 123.46 1jtc s GLU 53 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.48 1jtc s GLU 53 Cb 0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1jtc s GLU 53 CO 0.00 0.52 -0.06 0.14 0.02 0.00 0.00 175.26 175.88 1jtc s VAL 54 N -0.42 0.58 -0.06 2.63 -7.23 -0.10 -1.35 120.40 114.45 1jtc s VAL 54 Ca 0.06 -1.63 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1jtc s VAL 54 Cb -0.12 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 1jtc s VAL 54 CO 0.02 -0.73 -0.03 -0.31 -0.31 0.00 0.00 175.10 173.74 1jtc s TYR 55 N -2.92 3.04 -0.33 2.82 2.02 0.47 -1.65 117.35 120.80 1jtc s TYR 55 Ca 0.04 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 1jtc s TYR 55 Cb 0.01 -1.73 0.09 0.00 -0.40 0.00 0.00 41.96 39.92 1jtc s TYR 55 CO -0.04 0.40 0.03 0.42 -1.57 0.00 0.00 175.55 174.80 1jtc s ILE 56 N -0.88 2.52 -0.16 2.71 1.01 -1.26 -1.79 121.20 123.35 1jtc s ILE 56 Ca 0.14 -2.02 -0.04 0.00 0.00 0.00 0.00 60.65 58.73 1jtc s ILE 56 Cb -0.11 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1jtc s ILE 56 CO 0.03 -0.43 -0.02 -0.75 0.00 0.00 0.00 174.94 173.77 1jtc s LYS 57 N 1.03 3.72 0.03 2.79 2.20 -0.27 -0.83 119.74 128.42 1jtc s LYS 57 Ca 0.04 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 1jtc s LYS 57 Cb -0.20 -2.97 -0.07 0.00 -1.51 0.00 0.00 37.83 33.08 1jtc s LYS 57 CO -0.06 0.25 1.62 0.45 -0.36 0.00 0.00 175.35 177.25 1jtc s SER 58 N 0.36 6.65 0.49 1.43 0.15 0.34 1.00 113.70 124.12 1jtc s SER 58 Ca -0.03 2.38 0.28 0.00 0.70 0.00 0.00 55.95 59.28 1jtc s SER 58 Cb -0.14 -2.56 0.98 0.00 -1.71 0.00 0.00 66.02 62.59 1jtc s SER 58 CO 0.02 -0.87 1.84 0.71 1.20 0.00 0.00 173.24 176.14 1jtc h THR 59 N 5.01 0.15 0.05 6.45 1.35 -1.57 -0.38 112.91 123.98 1jtc h THR 59 Ca -0.41 -0.83 -0.14 0.00 -0.55 0.00 0.00 66.41 64.48 1jtc h THR 59 Cb 1.19 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1jtc h THR 59 CO 0.93 0.07 -0.72 -0.08 -0.25 0.00 0.00 175.52 175.47 1jtc h GLU 60 N 0.00 0.11 0.00 4.72 4.57 -1.81 -3.41 114.58 118.76 1jtc h GLU 60 Ca -0.00 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1jtc h GLU 60 Cb 0.71 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1jtc h GLU 60 CO 0.01 1.09 -1.81 0.25 -1.18 0.00 0.00 179.01 177.37 1jtc n THR 61 N -4.34 0.04 -0.18 0.32 -2.24 -1.24 -4.99 114.28 101.65 1jtc n THR 61 Ca -0.19 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1jtc n THR 61 Cb 0.68 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.53 1.41 3.78 3.38 0.00 -0.15 -5.01 105.19 110.13 1jtc n GLY 62 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.43 3.62 -0.08 1.61 -0.21 -1.26 -4.65 119.66 118.26 1jtc s GLN 63 Ca 0.00 1.60 -0.02 0.00 0.02 0.00 0.00 55.36 56.96 1jtc s GLN 63 Cb 0.00 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.80 1jtc s GLN 63 CO 0.00 -0.63 0.03 0.71 -2.12 0.00 0.00 175.29 173.28 1jtc s TYR 64 N -1.74 3.24 0.27 0.91 1.51 0.03 -0.51 117.35 121.07 1jtc s TYR 64 Ca 0.68 0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 56.68 1jtc s TYR 64 Cb -0.24 -1.80 -0.10 0.00 -0.11 0.00 0.00 41.96 39.71 1jtc s TYR 64 CO 0.28 0.52 1.45 -1.17 -1.11 0.00 0.00 175.55 175.52 1jtc s LEU 65 N -1.01 4.38 0.07 -1.29 2.96 -0.01 -0.48 118.68 123.29 1jtc s LEU 65 Ca 0.15 2.74 -0.06 0.00 -0.22 0.00 0.00 54.13 56.74 1jtc s LEU 65 Cb -0.11 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1jtc s LEU 65 CO 0.04 -0.73 0.12 0.00 -1.32 0.00 0.00 176.35 174.46 1jtc s ALA 66 N -0.20 -0.03 -0.12 5.97 0.00 0.28 -4.38 121.76 123.28 1jtc s ALA 66 Ca 0.58 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 1jtc s ALA 66 Cb -0.43 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1jtc s ALA 66 CO 0.46 -0.44 -0.08 1.41 0.00 0.00 0.00 175.76 177.12 1jtc s MET 67 N -3.59 1.57 0.92 0.00 1.75 -0.69 -0.83 119.30 118.42 1jtc s MET 67 Ca 0.03 -0.30 -0.13 0.00 -1.25 0.00 0.00 55.69 54.04 1jtc s MET 67 Cb 0.04 -1.67 0.19 0.00 2.84 0.00 0.00 34.83 36.24 1jtc s MET 67 CO -0.09 -0.28 1.26 0.16 -0.65 0.00 0.00 175.02 175.42 1jtc s ASP 68 N 1.69 3.33 0.30 1.11 1.47 -0.58 -4.81 116.67 119.17 1jtc s ASP 68 Ca 0.05 0.14 0.21 0.00 1.18 0.00 0.00 52.55 54.13 1jtc s ASP 68 Cb -0.13 -0.24 1.11 0.00 -0.34 0.00 0.00 42.92 43.33 1jtc s ASP 68 CO -0.08 -2.58 1.65 0.35 0.68 0.00 0.00 175.17 175.18 1jtc n THR 69 N -3.60 1.05 1.16 2.11 -2.24 -1.26 -0.09 114.28 111.41 1jtc n THR 69 Ca 0.15 0.67 0.13 0.00 -2.27 0.00 0.00 64.05 62.73 1jtc n THR 69 Cb 0.60 -1.66 0.23 0.00 -2.10 0.00 0.00 70.33 67.39 1jtc n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jtc n ASP 70 N -2.23 2.40 -0.03 3.42 8.00 -1.26 -4.95 116.55 121.90 1jtc n ASP 70 Ca -0.01 -1.77 -0.00 0.00 0.71 0.00 0.00 54.79 53.72 1jtc n ASP 70 Cb 0.06 0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 1.30 0.39 3.81 0.44 0.00 0.88 -4.64 105.19 107.37 1jtc n GLY 71 Ca 0.15 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.08 4.31 0.48 0.99 2.01 -1.25 -0.39 118.68 124.74 1jtc s LEU 72 Ca 0.00 0.39 -0.20 0.00 0.01 0.00 0.00 54.13 54.33 1jtc s LEU 72 Cb 0.00 -2.12 -0.09 0.00 0.01 0.00 0.00 46.19 44.00 1jtc s LEU 72 CO 0.00 0.29 1.03 -0.76 1.01 0.00 0.00 176.35 177.93 1jtc s LEU 73 N -0.38 3.86 0.17 1.79 1.43 -1.26 -1.53 118.68 122.76 1jtc s LEU 73 Ca 0.13 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 1jtc s LEU 73 Cb -0.12 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.61 1jtc s LEU 73 CO 0.02 -0.76 0.71 -0.72 0.23 0.00 0.00 176.35 175.84 1jtc s TYR 74 N -1.98 -0.36 -0.25 0.29 1.13 -0.01 -4.61 117.35 111.56 1jtc s TYR 74 Ca 0.67 0.07 -0.15 0.00 -1.41 0.00 0.00 57.07 56.25 1jtc s TYR 74 Cb -0.16 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 1jtc s TYR 74 CO 0.20 -0.93 0.40 0.20 -2.51 0.00 0.00 175.55 172.90 1jtc s GLY 75 N -2.79 1.91 -0.11 5.49 0.00 -0.64 -0.56 107.32 110.63 1jtc s GLY 75 Ca 0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 44.72 43.99 1jtc s GLY 75 CO -0.05 0.98 0.11 -0.45 0.00 0.00 0.00 173.10 173.70 1jtc s SER 76 N 1.50 6.15 0.47 1.64 0.15 0.37 -4.79 113.70 119.18 1jtc s SER 76 Ca 0.17 0.39 0.25 0.00 0.70 0.00 0.00 55.95 57.46 1jtc s SER 76 Cb -0.16 -1.94 1.12 0.00 -1.71 0.00 0.00 66.02 63.34 1jtc s SER 76 CO 0.09 0.40 1.93 1.56 1.20 0.00 0.00 173.24 178.41 1jtc h GLN 77 N 4.95 0.00 -5.51 5.44 1.08 -1.91 0.14 115.11 119.29 1jtc h GLN 77 Ca -0.54 0.00 -0.44 0.00 -1.45 0.00 0.00 58.65 56.22 1jtc h GLN 77 Cb 1.22 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.45 1jtc h GLN 77 CO 0.58 0.20 -0.78 0.95 -0.95 0.00 0.00 178.83 178.83 1jtc s THR 78 N -3.90 1.29 -1.07 -0.54 -4.23 -1.26 -4.83 115.64 101.10 1jtc s THR 78 Ca -0.01 -1.50 -0.18 0.00 -1.18 0.00 0.00 61.69 58.82 1jtc s THR 78 Cb 0.12 -1.32 0.12 0.00 1.34 0.00 0.00 72.50 72.75 1jtc s THR 78 CO 0.62 -0.27 1.34 -2.16 -0.54 0.00 0.00 174.62 173.62 1jtc s PRO 79 N -2.11 3.78 0.00 3.99 0.04 -1.26 -4.81 135.00 134.63 1jtc s PRO 79 Ca 0.03 -1.90 0.00 0.00 0.04 0.00 0.00 61.00 59.17 1jtc s PRO 79 Cb -0.08 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.35 1jtc s PRO 79 CO 0.03 -1.91 0.00 0.27 0.04 0.00 0.00 177.00 175.43 1jtc n ASN 80 N 6.94 1.03 0.31 6.66 0.23 -1.26 -4.95 115.26 124.22 1jtc n ASN 80 Ca 0.32 -0.85 0.19 0.00 -0.53 0.00 0.00 54.58 53.71 1jtc n ASN 80 Cb 0.47 0.00 1.05 0.00 -2.08 0.00 0.00 39.78 39.23 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 -1.98 0.50 114.58 113.38 1jtc h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jtc h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jtc h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1jtc n GLU 82 N -3.44 0.07 0.00 1.06 1.02 -1.26 -3.37 120.64 114.71 1jtc n GLU 82 Ca -0.03 0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 1jtc n GLU 82 Cb 0.11 -1.59 0.06 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.24 4.21 0.11 0.00 1.43 -1.22 -4.50 118.68 116.48 1jtc s LEU 84 Ca 0.23 0.97 0.10 0.00 -1.03 0.00 0.00 54.13 54.40 1jtc s LEU 84 Cb 0.19 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1jtc s LEU 84 CO 0.44 -0.21 -0.25 -0.36 0.23 0.00 0.00 176.35 176.20 1jtc s PHE 85 N 1.47 2.13 -0.47 0.29 0.40 -0.66 -0.97 117.98 120.18 1jtc s PHE 85 Ca 0.32 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 56.05 1jtc s PHE 85 Cb -0.16 -1.17 0.04 0.00 0.51 0.00 0.00 43.02 42.23 1jtc s PHE 85 CO 0.13 0.27 0.66 -0.51 0.70 0.00 0.00 175.22 176.46 1jtc s LEU 86 N -1.90 4.61 -0.31 -0.37 1.43 0.29 -0.92 118.68 121.52 1jtc s LEU 86 Ca 0.11 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.46 1jtc s LEU 86 Cb -0.10 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.48 1jtc s LEU 86 CO 0.05 -0.85 0.78 -0.70 0.23 0.00 0.00 176.35 175.86 1jtc s GLU 87 N 2.84 3.96 0.15 1.70 2.12 -0.16 -1.54 118.70 127.78 1jtc s GLU 87 Ca 0.21 0.58 0.05 0.00 0.36 0.00 0.00 54.97 56.16 1jtc s GLU 87 Cb -0.16 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1jtc s GLU 87 CO 0.17 -0.67 -0.11 1.03 -0.54 0.00 0.00 175.26 175.13 1jtc s ARG 88 N 2.94 1.08 0.45 4.30 1.81 -0.32 -4.71 118.95 124.49 1jtc s ARG 88 Ca 0.32 -1.42 -0.21 0.00 -1.72 0.00 0.00 55.73 52.70 1jtc s ARG 88 Cb -0.14 -0.73 -0.10 0.00 -0.45 0.00 0.00 34.95 33.53 1jtc s ARG 88 CO 0.12 0.11 0.98 -1.17 -0.68 0.00 0.00 175.30 174.66 1jtc s LEU 89 N -3.04 3.92 -0.04 2.53 2.96 0.06 -0.84 118.68 124.22 1jtc s LEU 89 Ca 0.16 1.78 -0.03 0.00 -0.22 0.00 0.00 54.13 55.81 1jtc s LEU 89 Cb 0.01 -4.54 0.02 0.00 0.50 0.00 0.00 46.19 42.18 1jtc s LEU 89 CO 0.02 -0.50 0.10 -0.70 -1.32 0.00 0.00 176.35 173.95 1jtc s GLU 90 N -3.17 0.10 -1.41 1.98 2.56 0.59 -4.80 118.70 114.54 1jtc s GLU 90 Ca 0.64 0.18 -0.07 0.00 0.00 0.00 0.00 54.97 55.72 1jtc s GLU 90 Cb -0.12 0.00 0.04 0.00 2.00 0.00 0.00 34.13 36.05 1jtc s GLU 90 CO 0.16 -0.05 0.53 0.39 -0.56 0.00 0.00 175.26 175.73 1jtc n GLU 91 N 3.29 -4.09 -1.76 4.30 1.02 -1.26 -1.03 120.64 121.10 1jtc n GLU 91 Ca -0.16 0.70 -0.16 0.00 -0.02 0.00 0.00 57.16 57.52 1jtc n GLU 91 Cb 0.58 -5.48 -0.05 0.00 -0.02 0.00 0.00 31.44 26.47 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 -2.39 -4.38 0.05 1.62 4.13 -1.26 -4.61 115.26 108.42 1jtc n ASN 92 Ca -0.07 0.31 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1jtc n ASN 92 Cb 0.58 -3.89 0.00 0.00 -1.54 0.00 0.00 39.78 34.93 1jtc n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1jtc n HIS 93 N -2.55 -1.91 -2.11 3.10 -0.00 -0.20 -5.15 115.22 106.40 1jtc n HIS 93 Ca -0.17 0.25 -0.27 0.00 0.46 0.00 0.00 57.72 57.99 1jtc n HIS 93 Cb 0.56 0.96 0.10 0.00 -0.12 0.00 0.00 29.99 31.49 1jtc n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1jtc s TYR 94 N -2.00 2.50 -0.11 1.57 2.02 -0.43 -4.79 117.35 116.10 1jtc s TYR 94 Ca 0.00 0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 57.09 1jtc s TYR 94 Cb 0.00 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 1jtc s TYR 94 CO 0.00 -1.80 -0.01 -0.80 -1.57 0.00 0.00 175.55 171.36 1jtc s ASN 95 N -4.64 5.08 0.15 2.29 -0.87 0.27 -0.30 114.94 116.92 1jtc s ASN 95 Ca 0.64 0.04 0.09 0.00 -1.57 0.00 0.00 52.86 52.07 1jtc s ASN 95 Cb -0.09 -1.57 -0.04 0.00 -0.02 0.00 0.00 41.25 39.53 1jtc s ASN 95 CO 0.48 0.30 -0.21 0.42 -2.57 0.00 0.00 177.10 175.51 1jtc s THR 96 N -0.41 1.97 -0.26 1.60 -4.23 -0.02 -1.01 115.64 113.28 1jtc s THR 96 Ca 0.07 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1jtc s THR 96 Cb -0.12 -1.85 0.07 0.00 1.34 0.00 0.00 72.50 71.94 1jtc s THR 96 CO 0.02 -0.15 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.61 1jtc s TYR 97 N -1.60 2.52 -0.15 3.99 2.02 -1.26 -1.18 117.35 121.70 1jtc s TYR 97 Ca 0.14 -1.93 -0.08 0.00 -0.37 0.00 0.00 57.07 54.84 1jtc s TYR 97 Cb -0.08 -1.77 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 1jtc s TYR 97 CO 0.07 -0.81 0.13 0.42 -1.57 0.00 0.00 175.55 173.79 1jtc s ILE 98 N 1.35 5.41 0.08 2.71 1.01 -0.59 -0.73 121.20 130.44 1jtc s ILE 98 Ca -0.02 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.50 1jtc s ILE 98 Cb -0.19 -3.39 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 1jtc s ILE 98 CO -0.08 0.56 1.91 -0.55 0.00 0.00 0.00 174.94 176.77 1jtc s SER 99 N -0.53 6.43 0.07 3.58 0.15 -0.38 0.10 113.70 123.13 1jtc s SER 99 Ca 0.12 2.72 -0.20 0.00 0.70 0.00 0.00 55.95 59.29 1jtc s SER 99 Cb -0.12 -2.55 -0.10 0.00 -1.71 0.00 0.00 66.02 61.54 1jtc s SER 99 CO 0.02 -1.03 1.49 0.50 1.20 0.00 0.00 173.24 175.42 1jtc h LYS 100 N 9.66 0.36 -1.00 5.44 3.64 -1.37 -0.47 116.57 132.83 1jtc h LYS 100 Ca -0.48 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 58.87 1jtc h LYS 100 Cb 1.23 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1jtc h LYS 100 CO 0.94 0.57 0.64 -0.22 -2.27 0.00 0.00 179.45 179.11 1jtc h LYS 101 N 0.11 1.05 -0.59 1.90 3.64 -1.77 -2.36 116.57 118.55 1jtc h LYS 101 Ca 0.06 -0.06 -0.36 0.00 -1.27 0.00 0.00 60.65 59.01 1jtc h LYS 101 Cb 0.41 -0.24 -0.22 0.00 -0.41 0.00 0.00 32.23 31.78 1jtc h LYS 101 CO 0.01 0.69 0.01 0.72 -2.27 0.00 0.00 179.45 178.62 1jtc n HIS 102 N -4.57 1.93 -0.35 1.91 8.25 -1.17 -4.76 115.22 116.47 1jtc n HIS 102 Ca 0.17 -1.97 0.06 0.00 -0.26 0.00 0.00 57.72 55.72 1jtc n HIS 102 Cb 0.27 -0.67 0.22 0.00 1.12 0.00 0.00 29.99 30.94 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 1.36 1.44 0.00 -1.41 0.00 -0.52 -0.69 119.26 119.44 1jtc h ALA 103 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1jtc h ALA 103 Cb 1.65 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jtc h ALA 103 CO 0.72 0.20 0.00 -0.85 0.00 0.00 0.00 179.25 179.32 1jtc n GLU 104 N -4.65 0.15 0.00 0.00 0.00 -1.26 -1.70 120.64 113.18 1jtc n GLU 104 Ca 0.18 0.45 0.12 0.00 0.00 0.00 0.00 57.16 57.90 1jtc n GLU 104 Cb 0.34 -1.83 0.20 0.00 0.00 0.00 0.00 31.44 30.14 1jtc n GLU 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1jtc n LYS 105 N -2.13 0.91 -3.54 3.44 5.02 -0.27 -4.97 118.16 116.62 1jtc n LYS 105 Ca 0.02 -0.65 -0.19 0.00 -2.02 0.00 0.00 58.31 55.46 1jtc n LYS 105 Cb 0.18 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.47 -2.16 -4.62 4.39 4.13 -0.69 -4.97 115.26 110.86 1jtc n ASN 106 Ca 0.10 -0.73 -0.37 0.00 1.68 0.00 0.00 54.58 55.26 1jtc n ASN 106 Cb 0.40 -4.62 -0.10 0.00 -1.54 0.00 0.00 39.78 33.91 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 -3.50 3.27 0.30 3.10 0.52 -1.25 -4.45 118.94 116.93 1jtc s TRP 107 Ca 0.06 0.22 0.10 0.00 0.02 0.00 0.00 56.10 56.49 1jtc s TRP 107 Cb -0.01 -2.36 -0.05 0.00 -1.15 0.00 0.00 33.47 29.90 1jtc s TRP 107 CO 0.77 -0.07 -0.05 -0.06 0.02 0.00 0.00 176.95 177.57 1jtc s PHE 108 N 1.48 2.54 0.12 -1.98 0.40 -1.26 -1.25 117.98 118.03 1jtc s PHE 108 Ca 0.09 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 1jtc s PHE 108 Cb -0.15 -1.25 -0.06 0.00 0.51 0.00 0.00 43.02 42.07 1jtc s PHE 108 CO 0.08 0.59 0.96 0.08 0.70 0.00 0.00 175.22 177.63 1jtc s VAL 109 N -2.44 4.46 -0.00 -0.44 1.01 0.09 -4.56 120.40 118.52 1jtc s VAL 109 Ca 0.32 2.08 -0.28 0.00 0.00 0.00 0.00 61.98 64.10 1jtc s VAL 109 Cb -0.04 -4.33 0.09 0.00 0.00 0.00 0.00 36.38 32.11 1jtc s VAL 109 CO 0.18 0.33 0.81 -0.83 0.00 0.00 0.00 175.10 175.60 1jtc s GLY 110 N -0.10 -0.48 0.01 4.51 0.00 -1.26 -4.43 107.32 105.56 1jtc s GLY 110 Ca 0.46 1.11 0.07 0.00 0.00 0.00 0.00 44.72 46.37 1jtc s GLY 110 CO 0.30 0.50 -0.22 1.08 0.00 0.00 0.00 173.10 174.77 1jtc s LEU 111 N -2.12 2.09 0.70 0.66 1.43 -0.75 -0.76 118.68 119.93 1jtc s LEU 111 Ca 0.01 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1jtc s LEU 111 Cb -0.01 -1.10 0.02 0.00 0.03 0.00 0.00 46.19 45.13 1jtc s LEU 111 CO -0.05 0.24 1.09 -0.54 0.23 0.00 0.00 176.35 177.32 1jtc s LYS 112 N -0.77 2.85 0.59 1.70 1.02 -0.04 -4.42 119.74 120.66 1jtc s LYS 112 Ca 0.08 0.44 0.29 0.00 0.02 0.00 0.00 55.97 56.80 1jtc s LYS 112 Cb -0.09 -2.03 1.59 0.00 -0.52 0.00 0.00 37.83 36.79 1jtc s LYS 112 CO 0.00 -1.04 2.03 0.87 -0.92 0.00 0.00 175.35 176.29 1jtc h LYS 113 N -0.65 0.00 -0.01 1.68 1.57 -1.88 0.22 116.57 117.50 1jtc h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1jtc h LYS 113 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1jtc h LYS 113 CO 0.64 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 1jtc n ASN 114 N -3.76 1.21 0.00 0.86 0.23 -1.26 -4.46 115.26 108.08 1jtc n ASN 114 Ca 0.04 -1.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.68 1jtc n ASN 114 Cb 0.45 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 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 1.14 1.02 3.86 4.83 0.00 0.79 -5.00 105.19 111.83 1jtc n GLY 115 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.80 6.65 0.73 1.61 1.04 -1.26 -0.23 113.70 119.44 1jtc s SER 116 Ca 0.00 1.17 -0.15 0.00 0.48 0.00 0.00 55.95 57.45 1jtc s SER 116 Cb 0.00 -2.33 0.04 0.00 0.10 0.00 0.00 66.02 63.82 1jtc s SER 116 CO 0.00 -0.27 1.23 0.00 0.98 0.00 0.00 173.24 175.18 1jtc s LYS 118 N -3.82 3.60 -0.01 0.00 1.02 0.06 -4.68 119.74 115.91 1jtc s LYS 118 Ca 0.76 -0.11 -0.17 0.00 0.02 0.00 0.00 55.97 56.47 1jtc s LYS 118 Cb -0.31 -2.94 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1jtc s LYS 118 CO 0.45 0.54 0.48 1.03 -0.92 0.00 0.00 175.35 176.92 1jtc s ARG 119 N -2.38 4.11 0.23 1.68 0.52 -1.26 -4.66 118.95 117.19 1jtc s ARG 119 Ca 0.37 0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 55.98 1jtc s ARG 119 Cb -0.13 -3.28 0.32 0.00 0.52 0.00 0.00 34.95 32.38 1jtc s ARG 119 CO 0.23 0.53 1.42 0.41 0.02 0.00 0.00 175.30 177.91 1jtc n GLY 120 N 2.17 -1.71 0.31 -3.53 0.00 0.47 0.02 105.19 102.93 1jtc n GLY 120 Ca -0.11 1.00 0.21 0.00 0.00 0.00 0.00 46.02 47.12 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 -0.40 1.61 0.11 -1.83 -0.49 132.00 131.00 1jtc h PRO 121 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1jtc h PRO 121 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1jtc h PRO 121 CO -0.92 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.41 1jtc n ARG 122 N -3.03 2.37 -4.11 1.05 5.12 0.10 -4.92 116.66 113.24 1jtc n ARG 122 Ca -0.02 -2.08 -0.22 0.00 -1.93 0.00 0.00 57.85 53.60 1jtc n ARG 122 Cb 0.13 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.90 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 -1.49 4.46 -0.17 0.55 -4.23 -0.19 -4.89 115.64 109.68 1jtc s THR 123 Ca 0.38 -1.40 -0.35 0.00 -1.18 0.00 0.00 61.69 59.15 1jtc s THR 123 Cb 0.22 -3.41 0.14 0.00 1.34 0.00 0.00 72.50 70.79 1jtc s THR 123 CO 0.30 -0.35 1.23 -1.38 -0.54 0.00 0.00 174.62 173.88 1jtc s HIS 124 N -2.13 -0.11 0.37 3.99 -3.43 -1.26 -4.84 115.29 107.88 1jtc s HIS 124 Ca 0.33 0.05 -0.27 0.00 -0.80 0.00 0.00 55.06 54.37 1jtc s HIS 124 Cb -0.08 0.52 -0.11 0.00 -1.43 0.00 0.00 32.58 31.48 1jtc s HIS 124 CO 0.25 -0.20 1.26 0.66 -2.00 0.00 0.00 174.74 174.71 1jtc n TYR 125 N -0.15 2.15 0.00 0.38 4.01 -1.26 -2.71 117.16 119.59 1jtc n TYR 125 Ca -0.01 0.54 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 1jtc n TYR 125 Cb 0.59 -2.39 0.00 0.00 -0.31 0.00 0.00 39.34 37.23 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 0.81 2.56 3.86 2.72 0.00 -1.26 -5.08 105.19 108.81 1jtc n GLY 126 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.74 3.75 0.12 1.61 -0.21 -1.10 -4.96 119.66 118.13 1jtc s GLN 127 Ca 0.00 0.77 0.11 0.00 0.02 0.00 0.00 55.36 56.25 1jtc s GLN 127 Cb 0.00 -2.15 -0.14 0.00 1.00 0.00 0.00 33.01 31.72 1jtc s GLN 127 CO 0.00 -0.38 1.18 0.87 -2.12 0.00 0.00 175.29 174.84 1jtc h LYS 128 N 0.35 0.00 -0.25 2.91 1.79 -1.97 -3.33 116.57 116.07 1jtc h LYS 128 Ca -0.46 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.09 1jtc h LYS 128 Cb 1.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 1jtc h LYS 128 CO 0.62 0.74 0.18 0.00 -1.08 0.00 0.00 179.45 179.91 1jtc h ALA 129 N 1.15 2.22 -0.01 3.86 0.00 -1.93 -2.38 119.26 122.17 1jtc h ALA 129 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jtc h ALA 129 Cb 1.70 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1jtc h ALA 129 CO 0.10 -0.30 -0.12 0.44 0.00 0.00 0.00 179.25 179.37 1jtc n ILE 130 N -4.45 0.00 -3.08 0.00 -5.35 -1.25 -1.82 119.36 103.41 1jtc n ILE 130 Ca 0.03 -0.14 -0.41 0.00 -0.27 0.00 0.00 62.75 61.96 1jtc n ILE 130 Cb 0.33 0.23 -0.06 0.00 -1.74 0.00 0.00 39.64 38.40 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 -2.30 4.14 0.16 7.28 1.43 -0.90 -4.38 118.68 124.12 1jtc s LEU 131 Ca 0.31 0.46 0.11 0.00 -1.03 0.00 0.00 54.13 53.98 1jtc s LEU 131 Cb 0.20 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 1jtc s LEU 131 CO 0.44 -0.51 -0.24 -0.36 0.23 0.00 0.00 176.35 175.92 1jtc s PHE 132 N 2.68 2.18 -0.24 0.29 0.40 -0.18 -2.98 117.98 120.12 1jtc s PHE 132 Ca 0.26 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1jtc s PHE 132 Cb -0.15 -1.12 0.03 0.00 0.51 0.00 0.00 43.02 42.30 1jtc s PHE 132 CO 0.12 0.40 -0.09 -0.51 0.70 0.00 0.00 175.22 175.84 1jtc s LEU 133 N -2.43 3.06 -0.20 -0.37 1.43 0.52 -0.57 118.68 120.12 1jtc s LEU 133 Ca 0.17 -0.94 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 1jtc s LEU 133 Cb -0.08 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.53 1jtc s LEU 133 CO 0.08 -0.12 1.00 -2.16 0.23 0.00 0.00 176.35 175.38 1jtc s PRO 134 N 1.27 4.29 -0.03 1.29 0.04 -1.26 -0.99 135.00 139.61 1jtc s PRO 134 Ca -0.01 1.30 0.05 0.00 0.04 0.00 0.00 61.00 62.38 1jtc s PRO 134 Cb -0.17 -3.62 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 1jtc s PRO 134 CO -0.06 -0.54 -0.17 -0.51 0.04 0.00 0.00 177.00 175.76 1jtc s LEU 135 N 2.86 2.60 0.36 -3.56 1.43 0.22 -4.92 118.68 117.68 1jtc s LEU 135 Ca 0.44 -0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 52.97 1jtc s LEU 135 Cb -0.16 -1.52 -0.11 0.00 0.03 0.00 0.00 46.19 44.43 1jtc s LEU 135 CO 0.09 0.33 1.45 -0.81 0.23 0.00 0.00 176.35 177.63 1jtc n PRO 136 N 2.19 2.53 0.00 1.29 -0.04 -1.26 -0.76 135.00 138.94 1jtc n PRO 136 Ca -0.17 0.89 0.15 0.00 -0.04 0.00 0.00 63.50 64.33 1jtc n PRO 136 Cb 0.52 -2.58 0.76 0.00 -0.04 0.00 0.00 33.50 32.16 1jtc n PRO 136 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74