#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jt3 n PHE 1 N 0.00 1.03 -2.59 -1.40 7.35 -1.26 -5.00 117.46 115.59 1jt3 n PHE 1 Ca 0.00 -1.68 -0.43 0.00 -0.76 0.00 0.00 57.45 54.58 1jt3 n PHE 1 Cb 0.00 -0.27 -0.02 0.00 0.35 0.00 0.00 39.48 39.54 1jt3 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jt3 s ASN 2 N -3.27 6.87 0.03 -2.13 0.01 -1.26 -5.00 114.94 110.19 1jt3 s ASN 2 Ca 0.41 1.08 -0.01 0.00 -0.71 0.00 0.00 52.86 53.63 1jt3 s ASN 2 Cb 0.38 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1jt3 s ASN 2 CO -0.04 -0.93 0.17 -0.76 -1.51 0.00 0.00 177.10 174.02 1jt3 s LEU 3 N 3.83 4.25 0.55 0.60 1.43 -1.26 -1.32 118.68 126.76 1jt3 s LEU 3 Ca 0.48 0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 1jt3 s LEU 3 Cb -0.13 -2.70 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 1jt3 s LEU 3 CO 0.18 0.22 1.01 -2.16 0.23 0.00 0.00 176.35 175.83 1jt3 s PRO 4 N -2.19 3.68 0.61 1.29 0.04 -1.26 -4.66 135.00 132.51 1jt3 s PRO 4 Ca 0.30 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.22 1jt3 s PRO 4 Cb -0.13 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1jt3 s PRO 4 CO 0.22 -0.50 1.04 -1.25 0.04 0.00 0.00 177.00 176.55 1jt3 s PRO 5 N -4.20 3.39 0.00 0.56 0.04 -1.26 -4.94 135.00 128.59 1jt3 s PRO 5 Ca 0.60 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1jt3 s PRO 5 Cb -0.12 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1jt3 s PRO 5 CO 0.36 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1jt3 n GLY 6 N -1.75 1.75 3.41 0.56 0.00 -1.26 -5.12 105.19 102.77 1jt3 n GLY 6 Ca 0.07 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 1jt3 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jt3 s ASN 7 N 0.00 0.54 -0.07 1.61 2.20 -1.26 -5.06 114.94 112.89 1jt3 s ASN 7 Ca 0.00 -1.35 0.14 0.00 -0.94 0.00 0.00 52.86 50.71 1jt3 s ASN 7 Cb 0.00 0.55 0.45 0.00 -2.00 0.00 0.00 41.25 40.25 1jt3 s ASN 7 CO 0.00 -1.10 1.37 -1.22 -2.94 0.00 0.00 177.10 173.21 1jt3 n TYR 8 N -0.44 0.79 -0.23 1.54 4.01 -1.26 -4.69 117.16 116.88 1jt3 n TYR 8 Ca 0.01 -0.63 0.03 0.00 -0.16 0.00 0.00 57.90 57.15 1jt3 n TYR 8 Cb 0.63 -0.15 0.14 0.00 -0.31 0.00 0.00 39.34 39.65 1jt3 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jt3 h LYS 9 N 2.34 0.34 -6.17 -0.72 6.56 -1.97 -3.43 116.57 113.53 1jt3 h LYS 9 Ca 0.00 -0.02 -0.59 0.00 -1.06 0.00 0.00 60.65 58.98 1jt3 h LYS 9 Cb 1.07 -0.08 -0.12 0.00 -0.57 0.00 0.00 32.23 32.54 1jt3 h LYS 9 CO 0.11 0.23 -0.69 0.15 -2.06 0.00 0.00 179.45 177.18 1jt3 s LYS 10 N -6.07 1.98 0.85 3.15 1.02 -1.26 -5.10 119.74 114.31 1jt3 s LYS 10 Ca -0.13 -1.64 -0.12 0.00 0.02 0.00 0.00 55.97 54.11 1jt3 s LYS 10 Cb 0.19 -1.94 0.10 0.00 -0.52 0.00 0.00 37.83 35.66 1jt3 s LYS 10 CO 0.75 0.30 1.10 -1.25 -0.92 0.00 0.00 175.35 175.34 1jt3 s PRO 11 N -3.61 1.66 0.32 -1.68 0.04 -1.26 -4.74 135.00 125.73 1jt3 s PRO 11 Ca 0.31 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 61.85 1jt3 s PRO 11 Cb -0.04 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1jt3 s PRO 11 CO 0.18 -1.92 0.65 -1.59 0.04 0.00 0.00 177.00 174.36 1jt3 s LYS 12 N -5.10 1.92 -0.10 4.56 0.00 0.54 -4.14 119.74 117.43 1jt3 s LYS 12 Ca 0.62 -1.35 -0.03 0.00 0.00 0.00 0.00 55.97 55.21 1jt3 s LYS 12 Cb -0.16 0.55 -0.03 0.00 0.00 0.00 0.00 37.83 38.20 1jt3 s LYS 12 CO 0.55 -0.86 0.01 -0.51 0.00 0.00 0.00 175.35 174.54 1jt3 s LEU 13 N -3.05 3.63 -0.49 2.77 1.43 0.19 -0.69 118.68 122.46 1jt3 s LEU 13 Ca 0.19 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 1jt3 s LEU 13 Cb -0.03 -1.84 0.10 0.00 0.03 0.00 0.00 46.19 44.45 1jt3 s LEU 13 CO 0.12 0.35 0.40 -0.76 0.23 0.00 0.00 176.35 176.69 1jt3 s LEU 14 N -0.72 5.76 -0.26 1.79 1.43 -1.26 0.50 118.68 125.92 1jt3 s LEU 14 Ca 0.11 -1.63 -0.20 0.00 -1.03 0.00 0.00 54.13 51.38 1jt3 s LEU 14 Cb -0.12 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1jt3 s LEU 14 CO 0.02 -0.71 0.63 -0.47 0.23 0.00 0.00 176.35 176.05 1jt3 s TYR 15 N 1.54 3.27 -0.25 0.29 5.04 -0.04 -0.86 117.35 126.34 1jt3 s TYR 15 Ca 0.04 0.77 -0.20 0.00 -2.44 0.00 0.00 57.07 55.23 1jt3 s TYR 15 Cb -0.26 -2.87 -0.02 0.00 0.35 0.00 0.00 41.96 39.16 1jt3 s TYR 15 CO 0.03 -0.35 0.63 0.00 -1.34 0.00 0.00 175.55 174.52 1jt3 h SER 17 N 7.85 0.76 0.00 0.00 4.64 -1.60 0.29 113.55 125.48 1jt3 h SER 17 Ca -0.27 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1jt3 h SER 17 Cb 1.12 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1jt3 h SER 17 CO 0.77 0.41 0.00 -3.20 -0.87 0.00 0.00 176.83 173.94 1jt3 n ASN 18 N -4.71 0.00 -0.49 4.97 5.15 -1.22 -3.38 115.26 115.59 1jt3 n ASN 18 Ca 0.16 0.91 0.06 0.00 -0.60 0.00 0.00 54.58 55.11 1jt3 n ASN 18 Cb 0.32 -0.41 0.07 0.00 -0.53 0.00 0.00 39.78 39.22 1jt3 n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jt3 n GLY 19 N -1.00 0.20 2.37 8.20 0.00 -1.24 -4.81 105.19 108.92 1jt3 n GLY 19 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1jt3 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jt3 n GLY 20 N 0.62 0.23 3.86 -0.02 0.00 0.99 -5.02 105.19 105.85 1jt3 n GLY 20 Ca 0.07 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1jt3 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jt3 s HIS 21 N -3.00 3.28 -0.21 1.61 3.76 -1.13 -4.65 115.29 114.95 1jt3 s HIS 21 Ca 0.20 0.02 -0.11 0.00 -0.15 0.00 0.00 55.06 55.03 1jt3 s HIS 21 Cb -0.09 -1.56 -0.05 0.00 1.11 0.00 0.00 32.58 31.99 1jt3 s HIS 21 CO 0.25 0.52 0.19 -0.06 -0.85 0.00 0.00 174.74 174.79 1jt3 s PHE 22 N -1.78 3.38 0.12 1.40 0.08 -0.20 0.34 117.98 121.32 1jt3 s PHE 22 Ca 0.32 0.36 -0.35 0.00 0.12 0.00 0.00 56.93 57.38 1jt3 s PHE 22 Cb -0.10 -2.26 -0.15 0.00 -0.57 0.00 0.00 43.02 39.94 1jt3 s PHE 22 CO 0.25 0.18 1.52 -0.11 -0.10 0.00 0.00 175.22 176.97 1jt3 n LEU 23 N 3.88 2.65 -4.09 -0.37 7.94 -0.04 -1.55 117.00 125.43 1jt3 n LEU 23 Ca -0.14 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.59 1jt3 n LEU 23 Cb 0.52 -1.35 -0.16 0.00 0.53 0.00 0.00 43.42 42.96 1jt3 n LEU 23 CO 0.37 -0.51 -0.49 -0.60 -1.11 0.00 0.00 177.39 175.05 1jt3 s ARG 24 N 0.99 1.86 -0.40 1.96 3.52 0.74 -4.51 118.95 123.12 1jt3 s ARG 24 Ca 0.82 -0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 55.83 1jt3 s ARG 24 Cb -0.77 -1.54 0.09 0.00 -1.56 0.00 0.00 34.95 31.16 1jt3 s ARG 24 CO 0.42 0.13 0.20 0.42 -0.81 0.00 0.00 175.30 175.65 1jt3 s ILE 25 N 0.38 3.67 0.61 4.11 1.01 -0.99 -0.83 121.20 129.17 1jt3 s ILE 25 Ca -0.11 -1.65 -0.13 0.00 0.00 0.00 0.00 60.65 58.76 1jt3 s ILE 25 Cb -0.14 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1jt3 s ILE 25 CO 0.04 -0.52 1.04 -0.76 0.00 0.00 0.00 174.94 174.74 1jt3 s LEU 26 N 1.29 3.35 0.45 2.97 1.43 0.69 -4.83 118.68 124.04 1jt3 s LEU 26 Ca 0.04 1.61 0.14 0.00 -1.03 0.00 0.00 54.13 54.88 1jt3 s LEU 26 Cb -0.22 -4.50 1.06 0.00 0.03 0.00 0.00 46.19 42.55 1jt3 s LEU 26 CO -0.01 -1.05 2.01 -0.65 0.23 0.00 0.00 176.35 176.88 1jt3 h PRO 27 N 0.01 0.35 0.00 1.29 0.11 -1.99 -0.14 132.00 131.64 1jt3 h PRO 27 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jt3 h PRO 27 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jt3 h PRO 27 CO 0.59 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 1jt3 n ASP 28 N -4.47 0.00 0.00 -2.05 5.68 -1.26 -4.86 116.55 109.59 1jt3 n ASP 28 Ca 0.07 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1jt3 n ASP 28 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1jt3 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jt3 n GLY 29 N 0.71 0.97 3.78 6.12 0.00 -0.06 -4.98 105.19 111.73 1jt3 n GLY 29 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1jt3 n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jt3 s THR 30 N -2.89 4.22 -0.05 2.61 -1.32 -1.25 -0.10 115.64 116.86 1jt3 s THR 30 Ca 0.00 1.83 0.05 0.00 -1.21 0.00 0.00 61.69 62.35 1jt3 s THR 30 Cb 0.00 -4.07 -0.02 0.00 -1.51 0.00 0.00 72.50 66.90 1jt3 s THR 30 CO 0.00 0.24 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.78 1jt3 s VAL 31 N -1.50 2.76 0.00 5.08 1.01 -1.26 -0.22 120.40 126.27 1jt3 s VAL 31 Ca 0.47 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1jt3 s VAL 31 Cb -0.20 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1jt3 s VAL 31 CO 0.25 0.58 0.00 -0.90 0.00 0.00 0.00 175.10 175.04 1jt3 n ASP 32 N 2.44 0.00 -4.41 3.32 5.75 -0.01 -4.29 116.55 119.36 1jt3 n ASP 32 Ca -0.17 -0.89 -0.29 0.00 -0.01 0.00 0.00 54.79 53.43 1jt3 n ASP 32 Cb 0.52 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.48 1jt3 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jt3 s GLY 33 N -1.44 1.60 -0.05 6.12 0.00 0.19 0.26 107.32 114.01 1jt3 s GLY 33 Ca 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 44.72 43.23 1jt3 s GLY 33 CO 0.00 -1.43 0.13 -1.08 0.00 0.00 0.00 173.10 170.72 1jt3 s THR 34 N -1.08 -0.01 -0.45 0.90 -1.32 -0.59 -4.77 115.64 108.31 1jt3 s THR 34 Ca 0.15 0.04 0.23 0.00 -1.21 0.00 0.00 61.69 60.90 1jt3 s THR 34 Cb -0.10 -0.20 0.23 0.00 -1.51 0.00 0.00 72.50 70.92 1jt3 s THR 34 CO 0.07 0.02 1.48 0.03 -2.21 0.00 0.00 174.62 174.00 1jt3 h ARG 35 N 6.24 0.00 -5.90 7.08 3.08 -1.88 -0.51 114.38 122.49 1jt3 h ARG 35 Ca -0.29 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.25 1jt3 h ARG 35 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1jt3 h ARG 35 CO 0.43 0.00 1.46 0.34 -1.07 0.00 0.00 179.97 181.13 1jt3 s ASP 36 N -5.59 5.09 0.64 7.04 2.15 -1.26 -4.83 116.67 119.91 1jt3 s ASP 36 Ca 0.06 0.95 0.39 0.00 0.43 0.00 0.00 52.55 54.38 1jt3 s ASP 36 Cb 0.08 -2.52 2.18 0.00 -0.30 0.00 0.00 42.92 42.37 1jt3 s ASP 36 CO 0.69 -2.40 2.32 0.08 -0.17 0.00 0.00 175.17 175.69 1jt3 h ARG 37 N 16.30 0.00 0.00 4.34 0.11 -2.01 -1.18 114.38 131.94 1jt3 h ARG 37 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1jt3 h ARG 37 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1jt3 h ARG 37 CO 1.14 0.00 -0.28 -1.13 0.10 0.00 0.00 179.97 179.80 1jt3 n SER 38 N -3.34 0.33 -4.58 0.08 3.41 -1.26 -4.92 113.62 103.35 1jt3 n SER 38 Ca -0.03 0.13 -0.54 0.00 -0.26 0.00 0.00 58.87 58.17 1jt3 n SER 38 Cb 0.09 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1jt3 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jt3 n ASP 39 N -1.59 1.30 -0.41 4.04 -0.08 -0.45 -4.87 116.55 114.50 1jt3 n ASP 39 Ca 0.06 1.13 0.10 0.00 -1.51 0.00 0.00 54.79 54.56 1jt3 n ASP 39 Cb 0.35 -1.13 0.40 0.00 2.34 0.00 0.00 41.12 43.08 1jt3 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jt3 n GLN 40 N 2.39 1.54 -0.16 -0.67 1.13 -1.26 -3.88 117.38 116.46 1jt3 n GLN 40 Ca 0.19 -0.81 0.06 0.00 -1.94 0.00 0.00 57.00 54.51 1jt3 n GLN 40 Cb 0.16 -1.36 0.14 0.00 0.11 0.00 0.00 30.24 29.29 1jt3 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jt3 n HIS 41 N 0.04 0.32 0.85 1.08 8.25 -1.26 -4.58 115.22 119.91 1jt3 n HIS 41 Ca 0.15 -0.75 0.09 0.00 -0.26 0.00 0.00 57.72 56.96 1jt3 n HIS 41 Cb 0.25 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1jt3 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jt3 n ILE 42 N -0.60 0.00 -2.60 1.59 -5.35 -1.25 -2.34 119.36 108.82 1jt3 n ILE 42 Ca 0.12 -0.27 -0.43 0.00 -0.27 0.00 0.00 62.75 61.90 1jt3 n ILE 42 Cb 0.56 1.19 -0.02 0.00 -1.74 0.00 0.00 39.64 39.63 1jt3 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jt3 s GLN 43 N -2.24 3.91 -0.09 6.28 1.11 -1.26 -4.49 119.66 122.88 1jt3 s GLN 43 Ca 0.14 0.89 0.02 0.00 0.01 0.00 0.00 55.36 56.42 1jt3 s GLN 43 Cb 0.15 -3.82 -0.02 0.00 -1.01 0.00 0.00 33.01 28.31 1jt3 s GLN 43 CO 0.52 -1.13 -0.16 -0.51 0.01 0.00 0.00 175.29 174.02 1jt3 s LEU 44 N 4.07 2.59 -0.34 2.90 1.43 0.13 -2.13 118.68 127.34 1jt3 s LEU 44 Ca 0.48 -0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.16 1jt3 s LEU 44 Cb -0.11 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1jt3 s LEU 44 CO 0.23 0.25 0.17 -1.58 0.23 0.00 0.00 176.35 175.65 1jt3 s GLN 45 N -0.15 3.08 0.23 1.70 2.00 0.25 -0.33 119.66 126.44 1jt3 s GLN 45 Ca -0.01 -0.90 -0.05 0.00 -2.00 0.00 0.00 55.36 52.40 1jt3 s GLN 45 Cb -0.14 -3.63 -0.05 0.00 0.80 0.00 0.00 33.01 29.99 1jt3 s GLN 45 CO 0.03 -0.55 0.49 -0.51 -0.50 0.00 0.00 175.29 174.25 1jt3 s LEU 46 N 1.58 4.15 -0.05 3.68 1.02 -1.26 -0.70 118.68 127.10 1jt3 s LEU 46 Ca 0.03 0.67 -0.18 0.00 0.02 0.00 0.00 54.13 54.67 1jt3 s LEU 46 Cb -0.18 -3.45 0.04 0.00 0.02 0.00 0.00 46.19 42.62 1jt3 s LEU 46 CO 0.06 -0.10 0.40 -0.94 0.02 0.00 0.00 176.35 175.80 1jt3 s SER 47 N -2.87 -0.33 -0.23 2.29 1.04 -0.86 -4.78 113.70 107.96 1jt3 s SER 47 Ca 0.43 0.35 -0.08 0.00 0.48 0.00 0.00 55.95 57.14 1jt3 s SER 47 Cb -0.11 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1jt3 s SER 47 CO 0.27 -0.42 0.08 0.00 0.98 0.00 0.00 173.24 174.15 1jt3 s ALA 48 N -1.00 3.27 0.00 5.32 0.00 -1.26 -0.36 121.76 127.73 1jt3 s ALA 48 Ca -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1jt3 s ALA 48 Cb -0.04 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1jt3 s ALA 48 CO 0.05 -0.31 0.34 -1.91 0.00 0.00 0.00 175.76 173.93 1jt3 n GLU 49 N 4.55 0.00 -4.03 0.00 4.07 0.25 -4.91 120.64 120.57 1jt3 n GLU 49 Ca -0.16 0.14 -0.23 0.00 -0.06 0.00 0.00 57.16 56.85 1jt3 n GLU 49 Cb 0.52 -0.91 -0.06 0.00 -0.06 0.00 0.00 31.44 30.92 1jt3 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1jt3 s SER 50 N -1.80 4.61 0.17 4.31 0.01 -1.25 -5.00 113.70 114.75 1jt3 s SER 50 Ca 0.00 -0.92 -0.32 0.00 1.31 0.00 0.00 55.95 56.02 1jt3 s SER 50 Cb 0.00 -0.58 -0.12 0.00 0.21 0.00 0.00 66.02 65.53 1jt3 s SER 50 CO 0.00 -0.47 1.76 0.52 0.41 0.00 0.00 173.24 175.46 1jt3 n VAL 51 N -1.25 0.14 -0.15 3.43 0.31 -1.26 -0.83 118.33 118.72 1jt3 n VAL 51 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1jt3 n VAL 51 Cb 0.63 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 1jt3 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jt3 n GLY 52 N 4.03 1.55 3.43 2.92 0.00 -1.26 -5.02 105.19 110.84 1jt3 n GLY 52 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1jt3 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jt3 s GLU 53 N -0.40 3.59 0.15 1.61 2.02 -0.01 -1.68 118.70 123.98 1jt3 s GLU 53 Ca 0.00 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 54.50 1jt3 s GLU 53 Cb 0.00 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 1jt3 s GLU 53 CO 0.00 0.00 -0.09 0.14 0.02 0.00 0.00 175.26 175.33 1jt3 s VAL 54 N 1.02 1.10 0.04 2.63 -7.23 -0.49 -0.59 120.40 116.87 1jt3 s VAL 54 Ca 0.02 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1jt3 s VAL 54 Cb -0.14 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1jt3 s VAL 54 CO 0.01 -0.73 -0.00 -0.31 -0.31 0.00 0.00 175.10 173.77 1jt3 s TYR 55 N -3.38 3.03 -0.41 2.82 2.02 0.51 -1.83 117.35 120.11 1jt3 s TYR 55 Ca 0.17 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.92 1jt3 s TYR 55 Cb 0.03 -1.61 0.12 0.00 -0.40 0.00 0.00 41.96 40.10 1jt3 s TYR 55 CO 0.01 0.46 0.19 0.42 -1.57 0.00 0.00 175.55 175.06 1jt3 s ILE 56 N -1.18 1.57 -0.07 2.71 1.01 -1.26 -2.02 121.20 121.96 1jt3 s ILE 56 Ca 0.22 -2.40 -0.08 0.00 0.00 0.00 0.00 60.65 58.39 1jt3 s ILE 56 Cb -0.12 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1jt3 s ILE 56 CO 0.14 -0.80 0.21 -0.75 0.00 0.00 0.00 174.94 173.74 1jt3 s LYS 57 N 0.59 3.55 -0.23 2.79 2.20 0.12 -0.98 119.74 127.78 1jt3 s LYS 57 Ca 0.15 -0.04 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 1jt3 s LYS 57 Cb -0.23 -3.17 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1jt3 s LYS 57 CO -0.06 0.74 1.07 0.45 -0.36 0.00 0.00 175.35 177.19 1jt3 s SER 58 N -1.20 7.07 0.28 1.43 0.15 -0.09 0.87 113.70 122.21 1jt3 s SER 58 Ca 0.19 1.40 0.06 0.00 0.70 0.00 0.00 55.95 58.30 1jt3 s SER 58 Cb -0.13 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.06 1jt3 s SER 58 CO 0.08 -0.70 1.68 0.71 1.20 0.00 0.00 173.24 176.22 1jt3 h THR 59 N 5.48 1.31 -0.11 6.45 1.35 -1.77 0.46 112.91 126.08 1jt3 h THR 59 Ca -0.20 -1.56 -0.04 0.00 -0.55 0.00 0.00 66.41 64.06 1jt3 h THR 59 Cb 1.07 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1jt3 h THR 59 CO 0.98 0.47 -0.09 -0.08 -0.25 0.00 0.00 175.52 176.55 1jt3 h GLU 60 N 0.23 0.25 0.00 4.72 4.57 -1.82 -3.39 114.58 119.14 1jt3 h GLU 60 Ca 0.02 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1jt3 h GLU 60 Cb 0.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1jt3 h GLU 60 CO 0.07 0.65 -1.08 0.25 -1.18 0.00 0.00 179.01 177.71 1jt3 n THR 61 N -4.66 0.00 -0.63 0.32 -2.24 -1.21 -5.00 114.28 100.87 1jt3 n THR 61 Ca -0.07 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1jt3 n THR 61 Cb 0.32 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1jt3 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jt3 n GLY 62 N 1.64 1.13 3.79 3.38 0.00 0.16 -5.01 105.19 110.28 1jt3 n GLY 62 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1jt3 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jt3 s GLN 63 N -0.24 4.06 -0.10 1.61 -0.21 -1.26 -4.72 119.66 118.81 1jt3 s GLN 63 Ca 0.00 1.43 -0.04 0.00 0.02 0.00 0.00 55.36 56.77 1jt3 s GLN 63 Cb 0.00 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1jt3 s GLN 63 CO 0.00 -0.22 0.06 0.71 -2.12 0.00 0.00 175.29 173.72 1jt3 s TYR 64 N -1.80 3.34 0.34 0.91 1.51 0.12 -0.91 117.35 120.87 1jt3 s TYR 64 Ca 0.61 0.33 -0.29 0.00 -1.01 0.00 0.00 57.07 56.72 1jt3 s TYR 64 Cb -0.19 -1.85 -0.11 0.00 -0.11 0.00 0.00 41.96 39.70 1jt3 s TYR 64 CO 0.24 0.58 1.42 -1.17 -1.11 0.00 0.00 175.55 175.51 1jt3 s LEU 65 N -0.96 4.37 0.11 -1.29 2.96 -0.15 0.09 118.68 123.80 1jt3 s LEU 65 Ca 0.14 2.87 -0.12 0.00 -0.22 0.00 0.00 54.13 56.81 1jt3 s LEU 65 Cb -0.12 -3.65 0.01 0.00 0.50 0.00 0.00 46.19 42.93 1jt3 s LEU 65 CO 0.03 -0.73 0.28 0.00 -1.32 0.00 0.00 176.35 174.61 1jt3 s ALA 66 N -0.95 -0.48 -0.09 5.97 0.00 0.12 -4.36 121.76 121.98 1jt3 s ALA 66 Ca 0.53 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 1jt3 s ALA 66 Cb -0.44 0.60 0.03 0.00 0.00 0.00 0.00 23.12 23.31 1jt3 s ALA 66 CO 0.56 -0.57 -0.03 1.41 0.00 0.00 0.00 175.76 177.13 1jt3 s MET 67 N -3.85 0.97 0.87 0.00 1.75 -0.81 0.20 119.30 118.44 1jt3 s MET 67 Ca 0.05 -0.04 -0.13 0.00 -1.25 0.00 0.00 55.69 54.33 1jt3 s MET 67 Cb 0.04 -1.21 0.12 0.00 2.84 0.00 0.00 34.83 36.61 1jt3 s MET 67 CO -0.10 -0.28 1.19 0.16 -0.65 0.00 0.00 175.02 175.33 1jt3 s ASP 68 N 1.84 3.95 0.65 1.11 1.47 -0.23 -4.81 116.67 120.66 1jt3 s ASP 68 Ca 0.05 0.76 0.40 0.00 1.18 0.00 0.00 52.55 54.93 1jt3 s ASP 68 Cb -0.12 -1.20 2.17 0.00 -0.34 0.00 0.00 42.92 43.43 1jt3 s ASP 68 CO -0.06 -2.25 2.22 0.71 0.68 0.00 0.00 175.17 176.47 1jt3 h THR 69 N -1.30 0.00 -0.11 2.11 1.35 -2.01 0.40 112.91 113.35 1jt3 h THR 69 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1jt3 h THR 69 Cb 1.32 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1jt3 h THR 69 CO 0.60 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.34 1jt3 n ASP 70 N -2.99 2.31 0.00 5.36 8.00 -1.26 -4.94 116.55 123.04 1jt3 n ASP 70 Ca -0.03 -1.77 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1jt3 n ASP 70 Cb 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1jt3 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jt3 n GLY 71 N 1.27 0.55 3.84 0.44 0.00 0.14 -4.65 105.19 106.78 1jt3 n GLY 71 Ca 0.17 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 1jt3 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jt3 s LEU 72 N 0.00 4.45 0.12 0.99 2.01 -1.26 0.49 118.68 125.49 1jt3 s LEU 72 Ca 0.00 0.86 -0.21 0.00 0.01 0.00 0.00 54.13 54.78 1jt3 s LEU 72 Cb 0.00 -2.49 -0.07 0.00 0.01 0.00 0.00 46.19 43.63 1jt3 s LEU 72 CO 0.00 0.32 0.66 -0.69 1.01 0.00 0.00 176.35 177.65 1jt3 s VAL 73 N -0.97 4.59 0.25 -1.59 1.01 -1.26 -1.06 120.40 121.37 1jt3 s VAL 73 Ca 0.22 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.42 1jt3 s VAL 73 Cb -0.16 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1jt3 s VAL 73 CO 0.11 0.51 0.61 -0.72 0.00 0.00 0.00 175.10 175.62 1jt3 s TYR 74 N -1.16 -0.01 -0.35 5.22 1.13 0.13 -4.47 117.35 117.84 1jt3 s TYR 74 Ca 0.33 -0.40 -0.16 0.00 -1.41 0.00 0.00 57.07 55.43 1jt3 s TYR 74 Cb -0.21 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.14 1jt3 s TYR 74 CO 0.22 -1.11 0.39 0.20 -2.51 0.00 0.00 175.55 172.74 1jt3 s GLY 75 N -2.94 1.89 0.04 5.49 0.00 0.86 0.16 107.32 112.82 1jt3 s GLY 75 Ca 0.14 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.55 1jt3 s GLY 75 CO 0.06 1.04 0.40 -0.45 0.00 0.00 0.00 173.10 174.15 1jt3 s SER 76 N 1.74 6.71 0.41 1.64 0.15 0.11 -4.65 113.70 119.82 1jt3 s SER 76 Ca 0.13 0.87 0.22 0.00 0.70 0.00 0.00 55.95 57.86 1jt3 s SER 76 Cb -0.16 -2.21 0.81 0.00 -1.71 0.00 0.00 66.02 62.75 1jt3 s SER 76 CO 0.12 0.24 1.79 1.56 1.20 0.00 0.00 173.24 178.15 1jt3 h GLN 77 N 4.17 0.00 -5.22 5.44 1.08 -1.91 0.34 115.11 119.01 1jt3 h GLN 77 Ca -0.50 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.33 1jt3 h GLN 77 Cb 1.21 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.47 1jt3 h GLN 77 CO 0.64 0.29 -0.74 0.95 -0.95 0.00 0.00 178.83 179.02 1jt3 s THR 78 N -3.64 1.23 -0.22 -0.54 -4.23 -1.26 -4.80 115.64 102.19 1jt3 s THR 78 Ca 0.00 -1.85 -0.21 0.00 -1.18 0.00 0.00 61.69 58.45 1jt3 s THR 78 Cb 0.11 -1.64 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 1jt3 s THR 78 CO 0.66 -0.57 0.66 -2.16 -0.54 0.00 0.00 174.62 172.68 1jt3 s PRO 79 N -3.12 4.19 0.18 3.99 0.04 -1.26 -4.70 135.00 134.31 1jt3 s PRO 79 Ca 0.12 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 61.80 1jt3 s PRO 79 Cb -0.02 -3.61 0.01 0.00 0.04 0.00 0.00 34.50 30.92 1jt3 s PRO 79 CO 0.02 -0.32 0.26 0.27 0.04 0.00 0.00 177.00 177.26 1jt3 n ASN 80 N 5.35 -0.72 0.10 6.66 0.23 -1.26 -5.00 115.26 120.62 1jt3 n ASN 80 Ca -0.00 -1.93 0.20 0.00 -0.53 0.00 0.00 54.58 52.33 1jt3 n ASN 80 Cb 0.49 1.32 0.75 0.00 -2.08 0.00 0.00 39.78 40.25 1jt3 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1jt3 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.98 0.63 114.58 113.51 1jt3 h GLU 81 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 1jt3 h GLU 81 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jt3 h GLU 81 CO 0.19 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.66 1jt3 n GLU 82 N -3.71 0.15 0.00 1.06 1.02 -1.26 -3.47 120.64 114.44 1jt3 n GLU 82 Ca 0.07 0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.53 1jt3 n GLU 82 Cb 0.61 -1.71 0.17 0.00 -0.02 0.00 0.00 31.44 30.49 1jt3 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jt3 s LEU 84 N -3.03 4.47 0.03 0.00 1.43 -1.23 -4.49 118.68 115.87 1jt3 s LEU 84 Ca 0.10 1.43 0.05 0.00 -1.03 0.00 0.00 54.13 54.68 1jt3 s LEU 84 Cb 0.17 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1jt3 s LEU 84 CO 0.74 0.06 -0.14 -0.36 0.23 0.00 0.00 176.35 176.88 1jt3 s PHE 85 N -0.26 1.21 -0.60 0.29 0.40 -0.76 -1.42 117.98 116.84 1jt3 s PHE 85 Ca 0.37 -0.33 -0.22 0.00 -0.60 0.00 0.00 56.93 56.15 1jt3 s PHE 85 Cb -0.21 -0.73 0.07 0.00 0.51 0.00 0.00 43.02 42.66 1jt3 s PHE 85 CO 0.22 0.02 0.85 -0.51 0.70 0.00 0.00 175.22 176.51 1jt3 s LEU 86 N -0.99 4.63 -0.32 -0.37 1.43 0.24 -1.40 118.68 121.90 1jt3 s LEU 86 Ca 0.02 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 51.89 1jt3 s LEU 86 Cb -0.07 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.69 1jt3 s LEU 86 CO 0.01 -1.24 1.08 -0.70 0.23 0.00 0.00 176.35 175.72 1jt3 s GLU 87 N 3.52 4.06 0.10 1.70 2.12 -0.68 -2.16 118.70 127.37 1jt3 s GLU 87 Ca 0.20 1.07 0.03 0.00 0.36 0.00 0.00 54.97 56.63 1jt3 s GLU 87 Cb -0.18 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.43 1jt3 s GLU 87 CO 0.11 -0.91 -0.08 1.03 -0.54 0.00 0.00 175.26 174.87 1jt3 s ARG 88 N 3.66 0.86 0.40 4.30 1.81 -0.64 -4.69 118.95 124.65 1jt3 s ARG 88 Ca 0.45 -1.26 -0.23 0.00 -1.72 0.00 0.00 55.73 52.97 1jt3 s ARG 88 Cb -0.12 -0.39 -0.10 0.00 -0.45 0.00 0.00 34.95 33.89 1jt3 s ARG 88 CO 0.16 0.03 0.97 -1.17 -0.68 0.00 0.00 175.30 174.61 1jt3 s LEU 89 N -2.79 4.08 -0.01 2.53 2.96 -0.43 -0.04 118.68 124.99 1jt3 s LEU 89 Ca 0.09 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1jt3 s LEU 89 Cb 0.01 -4.33 0.01 0.00 0.50 0.00 0.00 46.19 42.39 1jt3 s LEU 89 CO -0.02 -0.33 -0.01 -0.70 -1.32 0.00 0.00 176.35 173.98 1jt3 s GLU 90 N -2.74 0.16 -1.52 1.98 2.56 0.13 -4.80 118.70 114.48 1jt3 s GLU 90 Ca 0.58 0.00 -0.02 0.00 0.00 0.00 0.00 54.97 55.54 1jt3 s GLU 90 Cb -0.15 -0.24 0.01 0.00 2.00 0.00 0.00 34.13 35.75 1jt3 s GLU 90 CO 0.19 -0.03 0.16 0.39 -0.56 0.00 0.00 175.26 175.41 1jt3 n GLU 91 N 3.47 -2.63 -2.24 4.30 1.02 -1.26 -0.88 120.64 122.42 1jt3 n GLU 91 Ca -0.18 0.85 -0.16 0.00 -0.02 0.00 0.00 57.16 57.64 1jt3 n GLU 91 Cb 0.56 -5.54 -0.02 0.00 -0.02 0.00 0.00 31.44 26.42 1jt3 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jt3 n ASN 92 N -2.09 -4.66 0.00 1.62 4.13 -1.26 -4.63 115.26 108.36 1jt3 n ASN 92 Ca -0.18 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1jt3 n ASN 92 Cb 0.64 -3.98 0.00 0.00 -1.54 0.00 0.00 39.78 34.91 1jt3 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1jt3 n HIS 93 N -3.35 -1.30 -2.46 3.10 -0.00 -0.29 -5.15 115.22 105.76 1jt3 n HIS 93 Ca -0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.30 1jt3 n HIS 93 Cb 0.62 0.38 0.06 0.00 -0.00 0.00 0.00 29.99 31.05 1jt3 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1jt3 s TYR 94 N -1.75 2.73 -0.11 1.57 2.02 -0.06 -4.83 117.35 116.92 1jt3 s TYR 94 Ca 0.00 0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.79 1jt3 s TYR 94 Cb 0.00 -2.96 -0.03 0.00 -0.40 0.00 0.00 41.96 38.56 1jt3 s TYR 94 CO 0.00 -1.18 0.03 -0.80 -1.57 0.00 0.00 175.55 172.02 1jt3 s ASN 95 N -4.50 5.42 0.13 2.29 -0.87 0.29 0.19 114.94 117.88 1jt3 s ASN 95 Ca 0.60 0.16 0.07 0.00 -1.57 0.00 0.00 52.86 52.11 1jt3 s ASN 95 Cb -0.10 -1.66 -0.04 0.00 -0.02 0.00 0.00 41.25 39.44 1jt3 s ASN 95 CO 0.41 0.33 -0.17 0.42 -2.57 0.00 0.00 177.10 175.53 1jt3 s THR 96 N -0.61 1.57 -0.25 1.60 -4.23 0.95 -1.26 115.64 113.42 1jt3 s THR 96 Ca 0.10 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1jt3 s THR 96 Cb -0.12 -1.59 0.07 0.00 1.34 0.00 0.00 72.50 72.20 1jt3 s THR 96 CO 0.02 -0.27 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.51 1jt3 s TYR 97 N -1.76 2.25 -0.17 3.99 2.02 -1.26 -1.63 117.35 120.79 1jt3 s TYR 97 Ca 0.09 -1.75 -0.08 0.00 -0.37 0.00 0.00 57.07 54.96 1jt3 s TYR 97 Cb -0.07 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1jt3 s TYR 97 CO 0.04 -0.78 0.10 0.42 -1.57 0.00 0.00 175.55 173.76 1jt3 s ILE 98 N 1.44 5.16 0.00 2.71 1.01 -0.92 -1.18 121.20 129.43 1jt3 s ILE 98 Ca -0.01 0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.40 1jt3 s ILE 98 Cb -0.18 -3.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.86 1jt3 s ILE 98 CO -0.09 0.50 1.82 -0.24 0.00 0.00 0.00 174.94 176.93 1jt3 n SER 99 N 3.08 3.54 -0.05 3.58 2.88 -0.27 0.83 113.62 127.20 1jt3 n SER 99 Ca -0.17 0.99 -0.11 0.00 -1.33 0.00 0.00 58.87 58.24 1jt3 n SER 99 Cb 0.53 -1.42 -0.05 0.00 -0.75 0.00 0.00 64.21 62.51 1jt3 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jt3 h LYS 100 N 8.61 0.29 -0.63 -1.46 3.64 -1.56 0.15 116.57 125.61 1jt3 h LYS 100 Ca -0.48 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 58.93 1jt3 h LYS 100 Cb 1.26 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1jt3 h LYS 100 CO 0.93 0.42 0.25 -0.22 -2.27 0.00 0.00 179.45 178.57 1jt3 h LYS 101 N 0.10 0.43 -0.68 1.90 3.64 -1.77 -2.03 116.57 118.15 1jt3 h LYS 101 Ca 0.06 -0.03 -0.38 0.00 -1.27 0.00 0.00 60.65 59.03 1jt3 h LYS 101 Cb 0.26 -0.10 -0.22 0.00 -0.41 0.00 0.00 32.23 31.77 1jt3 h LYS 101 CO 0.00 0.28 0.25 0.72 -2.27 0.00 0.00 179.45 178.44 1jt3 n HIS 102 N -4.98 2.14 -0.33 1.91 8.25 -1.19 -4.74 115.22 116.29 1jt3 n HIS 102 Ca 0.09 -1.87 0.14 0.00 -0.26 0.00 0.00 57.72 55.83 1jt3 n HIS 102 Cb 0.28 -0.75 0.36 0.00 1.12 0.00 0.00 29.99 31.00 1jt3 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jt3 h ALA 103 N 1.15 1.80 0.00 -1.41 0.00 -0.19 -0.55 119.26 120.06 1jt3 h ALA 103 Ca 0.43 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1jt3 h ALA 103 Cb 2.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 1jt3 h ALA 103 CO 0.80 -0.15 -0.12 1.05 0.00 0.00 0.00 179.25 180.83 1jt3 h GLU 104 N 0.69 0.00 -0.01 0.00 9.09 -1.85 -2.09 114.58 120.41 1jt3 h GLU 104 Ca 0.56 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.97 1jt3 h GLU 104 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 1jt3 h GLU 104 CO -0.33 0.12 -0.30 1.63 0.05 0.00 0.00 179.01 180.18 1jt3 n LYS 105 N -3.58 0.74 -3.51 1.06 5.02 -0.23 -4.96 118.16 112.70 1jt3 n LYS 105 Ca -0.02 -0.44 -0.20 0.00 -2.02 0.00 0.00 58.31 55.63 1jt3 n LYS 105 Cb 0.25 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.85 1jt3 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jt3 n ASN 106 N -0.74 -3.66 -4.61 4.39 4.13 -0.79 -4.95 115.26 109.03 1jt3 n ASN 106 Ca 0.11 -0.60 -0.40 0.00 1.68 0.00 0.00 54.58 55.37 1jt3 n ASN 106 Cb 0.35 -5.03 -0.07 0.00 -1.54 0.00 0.00 39.78 33.48 1jt3 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jt3 s TRP 107 N -3.36 3.26 0.27 3.10 0.51 -1.25 -4.68 118.94 116.80 1jt3 s TRP 107 Ca 0.23 0.64 0.08 0.00 -2.12 0.00 0.00 56.10 54.92 1jt3 s TRP 107 Cb -0.10 -2.79 -0.04 0.00 -0.81 0.00 0.00 33.47 29.73 1jt3 s TRP 107 CO 0.73 -0.33 0.17 -0.06 -0.51 0.00 0.00 176.95 176.95 1jt3 s PHE 108 N 2.39 2.98 0.03 -1.98 0.40 -1.26 -1.11 117.98 119.42 1jt3 s PHE 108 Ca 0.23 -0.17 -0.28 0.00 -0.60 0.00 0.00 56.93 56.10 1jt3 s PHE 108 Cb -0.15 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1jt3 s PHE 108 CO 0.10 0.49 0.88 0.08 0.70 0.00 0.00 175.22 177.47 1jt3 s VAL 109 N -2.21 4.78 0.06 -0.44 1.01 -0.33 -4.50 120.40 118.78 1jt3 s VAL 109 Ca 0.34 1.87 -0.18 0.00 0.00 0.00 0.00 61.98 64.01 1jt3 s VAL 109 Cb -0.07 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.12 1jt3 s VAL 109 CO 0.24 0.26 0.41 -0.83 0.00 0.00 0.00 175.10 175.18 1jt3 s GLY 110 N 0.50 -0.28 -0.06 4.51 0.00 -1.26 -4.49 107.32 106.24 1jt3 s GLY 110 Ca 0.45 0.23 0.03 0.00 0.00 0.00 0.00 44.72 45.44 1jt3 s GLY 110 CO 0.26 -0.03 -0.16 1.08 0.00 0.00 0.00 173.10 174.25 1jt3 s LEU 111 N -2.19 1.82 0.65 0.66 1.43 -0.54 -1.26 118.68 119.25 1jt3 s LEU 111 Ca -0.03 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1jt3 s LEU 111 Cb -0.00 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 1jt3 s LEU 111 CO -0.05 0.10 1.05 -0.54 0.23 0.00 0.00 176.35 177.14 1jt3 s LYS 112 N 0.39 3.31 0.60 1.70 1.02 -0.45 -4.41 119.74 121.89 1jt3 s LYS 112 Ca -0.12 0.76 0.29 0.00 0.02 0.00 0.00 55.97 56.92 1jt3 s LYS 112 Cb -0.15 -2.05 1.60 0.00 -0.52 0.00 0.00 37.83 36.71 1jt3 s LYS 112 CO 0.04 -0.78 2.01 0.87 -0.92 0.00 0.00 175.35 176.57 1jt3 h LYS 113 N -0.48 0.00 -0.14 1.68 1.57 -1.88 0.43 116.57 117.75 1jt3 h LYS 113 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1jt3 h LYS 113 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1jt3 h LYS 113 CO 0.61 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 1jt3 n ASN 114 N -3.69 1.32 0.00 0.86 6.94 -1.26 -4.66 115.26 114.77 1jt3 n ASN 114 Ca 0.04 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.93 1jt3 n ASN 114 Cb 0.46 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 1jt3 n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jt3 n GLY 115 N 1.05 0.83 3.90 4.83 0.00 0.15 -4.98 105.19 110.97 1jt3 n GLY 115 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1jt3 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jt3 s SER 116 N -2.72 6.42 0.55 1.61 1.04 -1.26 0.57 113.70 119.90 1jt3 s SER 116 Ca 0.00 0.44 -0.21 0.00 0.48 0.00 0.00 55.95 56.66 1jt3 s SER 116 Cb 0.00 -2.04 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 1jt3 s SER 116 CO 0.00 0.24 1.28 0.00 0.98 0.00 0.00 173.24 175.74 1jt3 s LYS 118 N -3.00 3.59 0.05 0.00 1.02 -0.39 -4.83 119.74 116.19 1jt3 s LYS 118 Ca 0.72 0.10 -0.18 0.00 0.02 0.00 0.00 55.97 56.63 1jt3 s LYS 118 Cb -0.36 -2.50 -0.06 0.00 -0.52 0.00 0.00 37.83 34.39 1jt3 s LYS 118 CO 0.41 -0.01 0.53 1.03 -0.92 0.00 0.00 175.35 176.39 1jt3 s ARG 119 N -4.23 4.13 0.24 1.68 0.52 -1.26 -4.64 118.95 115.39 1jt3 s ARG 119 Ca 0.46 0.65 -0.12 0.00 -0.52 0.00 0.00 55.73 56.20 1jt3 s ARG 119 Cb -0.10 -3.23 0.34 0.00 0.52 0.00 0.00 34.95 32.47 1jt3 s ARG 119 CO 0.37 0.65 1.58 0.78 0.02 0.00 0.00 175.30 178.70 1jt3 h GLY 120 N 4.59 0.49 2.00 -3.53 0.00 -0.18 0.66 103.07 107.10 1jt3 h GLY 120 Ca -0.50 0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1jt3 h GLY 120 CO 0.63 -0.30 -0.01 -2.55 0.00 0.00 0.00 176.54 174.31 1jt3 h PRO 121 N -0.02 0.00 -0.12 4.80 0.11 -1.83 -1.01 132.00 133.93 1jt3 h PRO 121 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1jt3 h PRO 121 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1jt3 h PRO 121 CO -0.88 0.01 0.00 0.54 -0.21 0.00 0.00 178.00 177.46 1jt3 n ARG 122 N -3.20 1.96 -3.93 1.05 5.12 0.21 -4.91 116.66 112.97 1jt3 n ARG 122 Ca -0.02 -1.42 -0.28 0.00 -1.93 0.00 0.00 57.85 54.19 1jt3 n ARG 122 Cb 0.12 -1.46 -0.03 0.00 -1.16 0.00 0.00 32.46 29.93 1jt3 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jt3 s THR 123 N -1.86 5.35 -0.10 0.55 -4.23 -0.38 -4.91 115.64 110.05 1jt3 s THR 123 Ca 0.34 -0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 60.01 1jt3 s THR 123 Cb 0.20 -3.69 0.11 0.00 1.34 0.00 0.00 72.50 70.46 1jt3 s THR 123 CO 0.30 0.01 0.91 -1.38 -0.54 0.00 0.00 174.62 173.92 1jt3 s HIS 124 N -1.65 -0.42 0.37 3.99 -3.43 -1.26 -4.82 115.29 108.07 1jt3 s HIS 124 Ca 0.35 0.64 -0.26 0.00 -0.80 0.00 0.00 55.06 54.99 1jt3 s HIS 124 Cb -0.12 0.46 -0.12 0.00 -1.43 0.00 0.00 32.58 31.38 1jt3 s HIS 124 CO 0.28 -0.44 1.08 0.66 -2.00 0.00 0.00 174.74 174.32 1jt3 n TYR 125 N 0.55 1.48 -0.01 0.38 4.01 -1.26 -2.30 117.16 120.01 1jt3 n TYR 125 Ca -0.12 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 1jt3 n TYR 125 Cb 0.59 -2.28 0.00 0.00 -0.31 0.00 0.00 39.34 37.34 1jt3 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jt3 n GLY 126 N 1.09 0.18 3.84 2.72 0.00 -1.26 -5.07 105.19 106.69 1jt3 n GLY 126 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1jt3 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jt3 s GLN 127 N -0.97 4.00 0.31 1.61 -0.21 -0.97 -4.98 119.66 118.44 1jt3 s GLN 127 Ca 0.00 0.54 0.16 0.00 0.02 0.00 0.00 55.36 56.09 1jt3 s GLN 127 Cb 0.00 -2.81 0.23 0.00 1.00 0.00 0.00 33.01 31.43 1jt3 s GLN 127 CO 0.00 0.40 1.52 0.87 -2.12 0.00 0.00 175.29 175.96 1jt3 h LYS 128 N 3.21 0.00 0.00 2.91 1.79 -1.97 -3.26 116.57 119.24 1jt3 h LYS 128 Ca -0.48 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.97 1jt3 h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1jt3 h LYS 128 CO 0.66 0.47 -0.07 0.00 -1.08 0.00 0.00 179.45 179.43 1jt3 h ALA 129 N 1.53 1.55 -0.01 3.86 0.00 -1.94 -2.45 119.26 121.81 1jt3 h ALA 129 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jt3 h ALA 129 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jt3 h ALA 129 CO 0.06 0.09 -0.21 0.44 0.00 0.00 0.00 179.25 179.63 1jt3 n ILE 130 N -3.97 0.00 -2.97 0.00 -5.35 -1.23 -1.47 119.36 104.36 1jt3 n ILE 130 Ca -0.03 -0.15 -0.41 0.00 -0.27 0.00 0.00 62.75 61.89 1jt3 n ILE 130 Cb 0.16 0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 38.44 1jt3 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jt3 s LEU 131 N -2.41 4.09 0.17 7.28 1.43 -0.92 -4.49 118.68 123.82 1jt3 s LEU 131 Ca 0.27 0.94 0.10 0.00 -1.03 0.00 0.00 54.13 54.41 1jt3 s LEU 131 Cb 0.20 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1jt3 s LEU 131 CO 0.49 -0.45 -0.22 -0.36 0.23 0.00 0.00 176.35 176.04 1jt3 s PHE 132 N 2.62 2.07 -0.17 0.29 0.40 -0.39 -1.91 117.98 120.89 1jt3 s PHE 132 Ca 0.32 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1jt3 s PHE 132 Cb -0.15 -1.05 0.04 0.00 0.51 0.00 0.00 43.02 42.37 1jt3 s PHE 132 CO 0.08 0.39 -0.04 -1.17 0.70 0.00 0.00 175.22 175.18 1jt3 s LEU 133 N -2.53 1.56 -0.24 -0.37 2.96 0.35 -0.54 118.68 119.86 1jt3 s LEU 133 Ca 0.17 -0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 53.12 1jt3 s LEU 133 Cb -0.08 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.75 1jt3 s LEU 133 CO 0.08 -0.20 1.13 -2.16 -1.32 0.00 0.00 176.35 173.87 1jt3 s PRO 134 N 1.66 4.18 0.14 0.98 0.04 -1.26 -0.86 135.00 139.88 1jt3 s PRO 134 Ca 0.01 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.46 1jt3 s PRO 134 Cb -0.15 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1jt3 s PRO 134 CO -0.08 -0.76 0.01 -0.51 0.04 0.00 0.00 177.00 175.71 1jt3 s LEU 135 N 3.49 3.42 0.48 -3.56 1.43 0.18 -4.89 118.68 119.22 1jt3 s LEU 135 Ca 0.48 -0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 53.08 1jt3 s LEU 135 Cb -0.16 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.89 1jt3 s LEU 135 CO 0.12 0.12 1.09 -2.84 0.23 0.00 0.00 176.35 175.07 1jt3 s PRO 136 N -2.71 3.75 0.00 1.29 0.02 -1.26 0.53 135.00 136.62 1jt3 s PRO 136 Ca 0.27 1.54 0.32 0.00 0.02 0.00 0.00 61.00 63.15 1jt3 s PRO 136 Cb -0.10 -2.22 1.89 0.00 0.02 0.00 0.00 34.50 34.09 1jt3 s PRO 136 CO 0.19 -0.50 2.22 1.33 -0.33 0.00 0.00 177.00 179.91