#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 1.94 -2.72 -1.40 7.35 -1.26 -5.00 117.46 116.37 1jt3 n PHE 1 Ca 0.00 -2.02 -0.43 0.00 -0.76 0.00 0.00 57.45 54.24 1jt3 n PHE 1 Cb 0.00 -0.30 -0.03 0.00 0.35 0.00 0.00 39.48 39.51 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 -3.52 6.80 0.12 -2.13 0.01 -1.26 -5.02 114.94 109.95 1jt3 s ASN 2 Ca 0.44 0.82 0.03 0.00 -0.71 0.00 0.00 52.86 53.44 1jt3 s ASN 2 Cb 0.39 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 1jt3 s ASN 2 CO -0.00 -0.87 0.20 -0.76 -1.51 0.00 0.00 177.10 174.16 1jt3 s LEU 3 N 3.58 4.13 0.54 0.60 1.43 -1.26 -0.78 118.68 126.91 1jt3 s LEU 3 Ca 0.42 0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 1jt3 s LEU 3 Cb -0.12 -2.73 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 1jt3 s LEU 3 CO 0.17 0.10 0.96 -2.16 0.23 0.00 0.00 176.35 175.65 1jt3 s PRO 4 N -2.93 3.76 0.68 1.29 0.04 -1.26 -4.59 135.00 131.99 1jt3 s PRO 4 Ca 0.33 0.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.04 1jt3 s PRO 4 Cb -0.11 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1jt3 s PRO 4 CO 0.26 -0.35 1.01 -1.25 0.04 0.00 0.00 177.00 176.72 1jt3 s PRO 5 N -4.51 2.54 0.00 0.56 0.04 -1.26 -4.96 135.00 127.41 1jt3 s PRO 5 Ca 0.56 0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1jt3 s PRO 5 Cb -0.10 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1jt3 s PRO 5 CO 0.41 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1jt3 n GLY 6 N -2.88 1.91 1.87 0.56 0.00 -1.26 -5.11 105.19 100.29 1jt3 n GLY 6 Ca 0.07 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 1jt3 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jt3 n ASN 7 N 0.00 0.61 -0.93 1.61 0.23 -1.26 -5.06 115.26 110.46 1jt3 n ASN 7 Ca 0.00 -2.23 0.08 0.00 -0.53 0.00 0.00 54.58 51.90 1jt3 n ASN 7 Cb 0.00 0.70 0.26 0.00 -2.08 0.00 0.00 39.78 38.67 1jt3 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1jt3 n TYR 8 N -0.47 0.97 -0.22 -2.53 4.01 -1.26 -4.72 117.16 112.95 1jt3 n TYR 8 Ca -0.01 -0.86 -0.02 0.00 -0.16 0.00 0.00 57.90 56.86 1jt3 n TYR 8 Cb 0.35 -0.31 0.09 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.91 0.60 -5.67 -0.72 1.57 -1.97 -3.44 116.57 108.85 1jt3 h LYS 9 Ca 0.00 -0.04 -0.50 0.00 -1.87 0.00 0.00 60.65 58.24 1jt3 h LYS 9 Cb 1.44 -0.14 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 1jt3 h LYS 9 CO 0.23 0.40 -0.71 0.15 -0.57 0.00 0.00 179.45 178.94 1jt3 s LYS 10 N -6.10 1.50 1.17 3.15 1.02 -1.26 -5.12 119.74 114.10 1jt3 s LYS 10 Ca -0.13 -1.72 -0.13 0.00 0.02 0.00 0.00 55.97 54.02 1jt3 s LYS 10 Cb 0.16 -1.28 0.28 0.00 -0.52 0.00 0.00 37.83 36.47 1jt3 s LYS 10 CO 0.75 0.15 1.03 -1.25 -0.92 0.00 0.00 175.35 175.11 1jt3 s PRO 11 N -3.65 -0.93 0.22 -1.68 0.04 -1.26 -4.75 135.00 122.98 1jt3 s PRO 11 Ca 0.27 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 1jt3 s PRO 11 Cb 0.00 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 33.00 1jt3 s PRO 11 CO 0.11 -3.73 0.46 0.15 0.04 0.00 0.00 177.00 174.02 1jt3 s LYS 12 N -4.47 1.44 -0.09 4.56 -0.14 0.51 -4.22 119.74 117.33 1jt3 s LYS 12 Ca 0.68 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.15 1jt3 s LYS 12 Cb -0.25 0.47 -0.03 0.00 -1.68 0.00 0.00 37.83 36.34 1jt3 s LYS 12 CO 0.64 -0.59 -0.07 -0.51 -0.76 0.00 0.00 175.35 174.07 1jt3 s LEU 13 N -2.97 3.16 -0.54 3.17 1.43 0.12 -0.97 118.68 122.08 1jt3 s LEU 13 Ca 0.18 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1jt3 s LEU 13 Cb -0.00 -1.70 0.13 0.00 0.03 0.00 0.00 46.19 44.65 1jt3 s LEU 13 CO 0.05 0.32 0.45 -0.76 0.23 0.00 0.00 176.35 176.64 1jt3 s LEU 14 N -0.56 5.98 -0.21 1.79 1.43 -1.26 -0.26 118.68 125.60 1jt3 s LEU 14 Ca 0.08 -1.97 -0.22 0.00 -1.03 0.00 0.00 54.13 50.99 1jt3 s LEU 14 Cb -0.12 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1jt3 s LEU 14 CO 0.02 -0.74 0.71 -0.47 0.23 0.00 0.00 176.35 176.09 1jt3 s TYR 15 N 1.30 3.36 -0.25 0.29 6.14 0.19 -1.00 117.35 127.38 1jt3 s TYR 15 Ca 0.06 1.01 -0.17 0.00 0.64 0.00 0.00 57.07 58.61 1jt3 s TYR 15 Cb -0.26 -2.89 -0.03 0.00 0.42 0.00 0.00 41.96 39.19 1jt3 s TYR 15 CO -0.00 -0.25 0.47 0.00 0.64 0.00 0.00 175.55 176.40 1jt3 h SER 17 N 7.89 0.22 -0.84 0.00 0.87 -1.73 0.22 113.55 120.18 1jt3 h SER 17 Ca -0.31 0.07 0.08 0.00 -1.23 0.00 0.00 61.79 60.40 1jt3 h SER 17 Cb 1.15 0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 63.05 1jt3 h SER 17 CO 0.70 0.14 -0.58 -1.13 -0.53 0.00 0.00 176.83 175.43 1jt3 h ASN 18 N 0.40 -2.08 0.00 6.23 -1.24 -1.80 -3.28 115.58 113.81 1jt3 h ASN 18 Ca 0.29 0.31 0.00 0.00 0.71 0.00 0.00 56.30 57.60 1jt3 h ASN 18 Cb 0.33 0.90 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1jt3 h ASN 18 CO -0.28 -0.27 0.00 0.61 -1.29 0.00 0.00 177.43 176.19 1jt3 n GLY 19 N -1.28 -0.64 1.83 1.57 0.00 -1.22 -4.77 105.19 100.67 1jt3 n GLY 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.04 0.51 3.93 -0.02 0.00 0.76 -5.03 105.19 105.30 1jt3 n GLY 20 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 3.49 -0.18 1.61 3.76 -1.11 -4.56 115.29 116.30 1jt3 s HIS 21 Ca 0.00 0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 55.04 1jt3 s HIS 21 Cb 0.00 -1.75 -0.05 0.00 1.11 0.00 0.00 32.58 31.89 1jt3 s HIS 21 CO 0.00 0.50 0.14 -0.06 -0.85 0.00 0.00 174.74 174.48 1jt3 s PHE 22 N -1.70 3.46 0.09 1.40 0.08 -0.01 0.11 117.98 121.41 1jt3 s PHE 22 Ca 0.36 0.40 -0.31 0.00 0.12 0.00 0.00 56.93 57.50 1jt3 s PHE 22 Cb -0.12 -2.12 -0.10 0.00 -0.57 0.00 0.00 43.02 40.11 1jt3 s PHE 22 CO 0.28 0.40 1.88 -0.11 -0.10 0.00 0.00 175.22 177.57 1jt3 n LEU 23 N 3.13 4.05 -4.19 -0.37 7.94 -0.17 -1.89 117.00 125.50 1jt3 n LEU 23 Ca -0.17 0.96 -0.30 0.00 -1.11 0.00 0.00 56.01 55.39 1jt3 n LEU 23 Cb 0.53 -1.53 -0.17 0.00 0.53 0.00 0.00 43.42 42.78 1jt3 n LEU 23 CO 0.36 0.17 -0.54 -0.60 -1.11 0.00 0.00 177.39 175.67 1jt3 s ARG 24 N 3.27 2.72 -0.45 1.96 3.52 0.30 -4.49 118.95 125.77 1jt3 s ARG 24 Ca 0.84 -0.79 -0.06 0.00 -0.13 0.00 0.00 55.73 55.59 1jt3 s ARG 24 Cb -0.48 -2.10 0.12 0.00 -1.56 0.00 0.00 34.95 30.92 1jt3 s ARG 24 CO 0.39 0.18 0.29 0.42 -0.81 0.00 0.00 175.30 175.77 1jt3 s ILE 25 N 0.32 3.79 0.35 4.11 1.01 -1.00 -0.95 121.20 128.84 1jt3 s ILE 25 Ca -0.16 -1.94 -0.27 0.00 0.00 0.00 0.00 60.65 58.28 1jt3 s ILE 25 Cb -0.17 -3.54 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 1jt3 s ILE 25 CO 0.07 -0.74 1.23 -0.76 0.00 0.00 0.00 174.94 174.74 1jt3 s LEU 26 N 1.23 4.35 0.62 2.97 1.43 0.15 -4.85 118.68 124.58 1jt3 s LEU 26 Ca 0.07 2.50 0.28 0.00 -1.03 0.00 0.00 54.13 55.95 1jt3 s LEU 26 Cb -0.24 -3.80 1.47 0.00 0.03 0.00 0.00 46.19 43.65 1jt3 s LEU 26 CO -0.02 -0.55 1.86 -0.65 0.23 0.00 0.00 176.35 177.21 1jt3 h PRO 27 N 3.12 0.00 -0.08 1.29 0.11 -1.98 0.19 132.00 134.66 1jt3 h PRO 27 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jt3 h PRO 27 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jt3 h PRO 27 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 1jt3 n ASP 28 N -3.34 0.89 0.00 -2.05 5.75 -1.26 -4.85 116.55 111.69 1jt3 n ASP 28 Ca 0.04 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1jt3 n ASP 28 Cb 0.58 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1jt3 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jt3 n GLY 29 N 0.98 0.64 3.78 6.12 0.00 0.68 -5.00 105.19 112.40 1jt3 n GLY 29 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1jt3 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jt3 s THR 30 N -2.45 3.85 -0.05 2.61 2.01 -1.22 -1.65 115.64 118.75 1jt3 s THR 30 Ca 0.00 1.50 0.02 0.00 0.31 0.00 0.00 61.69 63.52 1jt3 s THR 30 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.71 1jt3 s THR 30 CO 0.00 0.08 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.22 1jt3 s VAL 31 N -1.60 0.93 0.00 3.82 1.01 -1.26 0.34 120.40 123.65 1jt3 s VAL 31 Ca 0.54 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1jt3 s VAL 31 Cb -0.22 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1jt3 s VAL 31 CO 0.28 0.31 0.00 -0.90 0.00 0.00 0.00 175.10 174.78 1jt3 n ASP 32 N 3.76 0.00 -4.04 3.32 5.75 -0.13 -4.46 116.55 120.75 1jt3 n ASP 32 Ca -0.23 -0.07 -0.14 0.00 -0.01 0.00 0.00 54.79 54.34 1jt3 n ASP 32 Cb 0.52 0.00 -0.12 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 -0.07 0.47 0.03 6.12 0.00 -0.26 0.11 107.32 113.72 1jt3 s GLY 33 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1jt3 s GLY 33 CO 0.00 -0.65 -0.04 -1.08 0.00 0.00 0.00 173.10 171.33 1jt3 s THR 34 N -0.99 0.20 -1.01 0.90 -1.32 -0.79 -4.76 115.64 107.87 1jt3 s THR 34 Ca -0.06 -0.99 0.25 0.00 -1.21 0.00 0.00 61.69 59.69 1jt3 s THR 34 Cb -0.08 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.53 1jt3 s THR 34 CO 0.00 -0.50 1.41 0.54 -2.21 0.00 0.00 174.62 173.86 1jt3 n ARG 35 N 1.50 0.01 -2.15 7.08 1.74 -1.26 -0.83 116.66 122.75 1jt3 n ARG 35 Ca -0.23 -0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.44 1jt3 n ARG 35 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 1jt3 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jt3 s ASP 36 N -2.99 5.63 0.42 0.55 2.15 -1.26 -4.84 116.67 116.33 1jt3 s ASP 36 Ca 0.11 0.45 0.29 0.00 0.43 0.00 0.00 52.55 53.83 1jt3 s ASP 36 Cb 0.18 -2.53 1.49 0.00 -0.30 0.00 0.00 42.92 41.75 1jt3 s ASP 36 CO 0.70 -2.07 1.88 0.08 -0.17 0.00 0.00 175.17 175.59 1jt3 h ARG 37 N 13.38 0.00 -0.10 4.34 0.11 -2.00 -1.52 114.38 128.59 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 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1jt3 h ARG 37 CO 1.18 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 180.12 1jt3 n SER 38 N -2.53 2.00 -4.76 0.08 3.41 -1.26 -4.94 113.62 105.62 1jt3 n SER 38 Ca -0.01 -1.70 -0.41 0.00 -0.26 0.00 0.00 58.87 56.49 1jt3 n SER 38 Cb 0.09 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1jt3 n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jt3 s ASP 39 N -1.81 6.42 0.00 4.04 -1.08 -0.58 -4.91 116.67 118.75 1jt3 s ASP 39 Ca 0.35 2.94 0.14 0.00 -0.52 0.00 0.00 52.55 55.46 1jt3 s ASP 39 Cb 0.20 -2.65 0.55 0.00 -1.46 0.00 0.00 42.92 39.56 1jt3 s ASP 39 CO 0.30 -0.85 1.40 0.00 0.52 0.00 0.00 175.17 176.54 1jt3 n GLN 40 N 1.52 1.58 -0.09 4.34 1.13 -1.26 -3.92 117.38 120.67 1jt3 n GLN 40 Ca 0.05 -0.88 0.04 0.00 -1.94 0.00 0.00 57.00 54.27 1jt3 n GLN 40 Cb 0.39 -1.29 0.09 0.00 0.11 0.00 0.00 30.24 29.53 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 0.15 0.18 1.03 1.08 8.25 -1.26 -4.60 115.22 120.06 1jt3 n HIS 41 Ca 0.12 -0.65 0.11 0.00 -0.26 0.00 0.00 57.72 57.05 1jt3 n HIS 41 Cb 0.24 -0.09 0.05 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.51 0.00 -2.65 1.59 -5.35 -1.25 -2.38 119.36 108.80 1jt3 n ILE 42 Ca 0.08 -0.27 -0.43 0.00 -0.27 0.00 0.00 62.75 61.86 1jt3 n ILE 42 Cb 0.44 1.19 -0.02 0.00 -1.74 0.00 0.00 39.64 39.50 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 -2.44 3.75 -0.06 6.28 1.11 -1.26 -4.48 119.66 122.55 1jt3 s GLN 43 Ca 0.20 0.57 0.05 0.00 0.01 0.00 0.00 55.36 56.19 1jt3 s GLN 43 Cb 0.18 -3.88 -0.02 0.00 -1.01 0.00 0.00 33.01 28.29 1jt3 s GLN 43 CO 0.54 -1.27 -0.21 -0.51 0.01 0.00 0.00 175.29 173.85 1jt3 s LEU 44 N 4.20 2.32 -0.30 2.90 1.43 -0.14 -1.34 118.68 127.75 1jt3 s LEU 44 Ca 0.45 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 1jt3 s LEU 44 Cb -0.08 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1jt3 s LEU 44 CO 0.28 0.27 0.13 -1.58 0.23 0.00 0.00 176.35 175.68 1jt3 s GLN 45 N -0.31 3.40 0.21 1.70 2.00 0.16 -0.36 119.66 126.46 1jt3 s GLN 45 Ca 0.01 -0.67 -0.07 0.00 -2.00 0.00 0.00 55.36 52.64 1jt3 s GLN 45 Cb -0.13 -3.51 -0.06 0.00 0.80 0.00 0.00 33.01 30.12 1jt3 s GLN 45 CO 0.02 -0.36 0.48 -0.51 -0.50 0.00 0.00 175.29 174.42 1jt3 s LEU 46 N 1.61 4.18 -0.03 3.68 1.02 -1.26 -1.44 118.68 126.44 1jt3 s LEU 46 Ca 0.05 0.74 -0.09 0.00 0.02 0.00 0.00 54.13 54.85 1jt3 s LEU 46 Cb -0.17 -3.50 0.01 0.00 0.02 0.00 0.00 46.19 42.56 1jt3 s LEU 46 CO 0.06 -0.05 0.20 -0.94 0.02 0.00 0.00 176.35 175.63 1jt3 s SER 47 N -2.57 -0.10 -0.31 2.29 1.04 -0.78 -4.77 113.70 108.50 1jt3 s SER 47 Ca 0.44 0.06 -0.12 0.00 0.48 0.00 0.00 55.95 56.82 1jt3 s SER 47 Cb -0.11 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1jt3 s SER 47 CO 0.24 -0.29 0.21 0.00 0.98 0.00 0.00 173.24 174.39 1jt3 s ALA 48 N -0.87 3.49 -0.03 5.32 0.00 -1.26 -1.38 121.76 127.02 1jt3 s ALA 48 Ca -0.10 -1.26 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 1jt3 s ALA 48 Cb -0.05 -2.55 -0.15 0.00 0.00 0.00 0.00 23.12 20.37 1jt3 s ALA 48 CO 0.02 -0.79 0.94 1.49 0.00 0.00 0.00 175.76 177.42 1jt3 h GLU 49 N 8.42 -0.30 -4.53 0.00 4.57 -0.89 -3.47 114.58 118.39 1jt3 h GLU 49 Ca -0.33 0.02 -0.22 0.00 -1.18 0.00 0.00 59.36 57.65 1jt3 h GLU 49 Cb 1.17 0.07 -0.15 0.00 -0.16 0.00 0.00 28.75 29.68 1jt3 h GLU 49 CO 0.60 0.07 -0.63 -1.12 -1.18 0.00 0.00 179.01 176.74 1jt3 s SER 50 N -5.30 0.26 -0.06 1.04 0.01 -1.23 -5.03 113.70 103.39 1jt3 s SER 50 Ca -0.12 -1.31 -0.33 0.00 1.31 0.00 0.00 55.95 55.50 1jt3 s SER 50 Cb 0.01 0.33 -0.11 0.00 0.21 0.00 0.00 66.02 66.46 1jt3 s SER 50 CO 0.46 -0.78 1.90 0.52 0.41 0.00 0.00 173.24 175.75 1jt3 n VAL 51 N -0.20 0.62 -0.26 3.43 0.31 -1.26 -0.91 118.33 120.07 1jt3 n VAL 51 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1jt3 n VAL 51 Cb 0.65 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 4.44 1.40 3.38 2.92 0.00 -1.26 -5.03 105.19 111.05 1jt3 n GLY 52 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.39 3.46 0.22 1.61 2.02 -0.09 -0.98 118.70 124.56 1jt3 s GLU 53 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1jt3 s GLU 53 Cb 0.00 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1jt3 s GLU 53 CO 0.00 0.07 -0.00 0.14 0.02 0.00 0.00 175.26 175.48 1jt3 s VAL 54 N 0.78 0.97 0.03 2.63 -7.23 0.32 -0.13 120.40 117.76 1jt3 s VAL 54 Ca -0.03 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1jt3 s VAL 54 Cb -0.15 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1jt3 s VAL 54 CO 0.02 -0.36 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.02 1jt3 s TYR 55 N -3.46 2.73 -0.29 2.82 2.02 -0.48 -1.02 117.35 119.66 1jt3 s TYR 55 Ca 0.27 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1jt3 s TYR 55 Cb 0.06 -1.53 0.09 0.00 -0.40 0.00 0.00 41.96 40.17 1jt3 s TYR 55 CO 0.08 0.32 0.03 0.42 -1.57 0.00 0.00 175.55 174.83 1jt3 s ILE 56 N -0.97 1.54 -0.06 2.71 1.01 -1.26 -1.86 121.20 122.31 1jt3 s ILE 56 Ca 0.16 -1.64 0.02 0.00 0.00 0.00 0.00 60.65 59.19 1jt3 s ILE 56 Cb -0.11 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1jt3 s ILE 56 CO 0.07 -0.46 -0.10 -0.75 0.00 0.00 0.00 174.94 173.70 1jt3 s LYS 57 N 1.31 2.64 -0.12 2.79 2.20 -0.52 -0.22 119.74 127.83 1jt3 s LYS 57 Ca 0.05 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 1jt3 s LYS 57 Cb -0.18 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.61 1jt3 s LYS 57 CO -0.13 0.65 1.30 0.45 -0.36 0.00 0.00 175.35 177.25 1jt3 s SER 58 N -0.81 6.93 0.30 1.43 0.15 0.34 0.38 113.70 122.43 1jt3 s SER 58 Ca 0.12 1.80 0.11 0.00 0.70 0.00 0.00 55.95 58.68 1jt3 s SER 58 Cb -0.11 -2.54 0.47 0.00 -1.71 0.00 0.00 66.02 62.13 1jt3 s SER 58 CO 0.01 -0.74 1.68 0.71 1.20 0.00 0.00 173.24 176.10 1jt3 h THR 59 N 5.38 1.38 0.08 6.45 1.35 -1.55 0.45 112.91 126.45 1jt3 h THR 59 Ca -0.30 -1.84 -0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1jt3 h THR 59 Cb 1.13 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1jt3 h THR 59 CO 0.95 0.53 -0.04 -0.08 -0.25 0.00 0.00 175.52 176.62 1jt3 h GLU 60 N 0.01 -0.11 0.00 4.72 4.57 -1.82 -3.38 114.58 118.57 1jt3 h GLU 60 Ca -0.00 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1jt3 h GLU 60 Cb 0.95 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1jt3 h GLU 60 CO 0.07 0.36 -1.90 0.25 -1.18 0.00 0.00 179.01 176.61 1jt3 n THR 61 N -4.90 0.07 -0.76 0.32 -2.24 -1.23 -4.99 114.28 100.54 1jt3 n THR 61 Ca -0.08 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1jt3 n THR 61 Cb 0.26 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 1.43 0.82 3.77 3.38 0.00 0.16 -5.01 105.19 109.74 1jt3 n GLY 62 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 4.39 -0.08 1.61 -0.21 -1.25 -4.64 119.66 119.23 1jt3 s GLN 63 Ca 0.00 1.65 -0.13 0.00 0.02 0.00 0.00 55.36 56.90 1jt3 s GLN 63 Cb 0.00 -2.85 -0.05 0.00 1.00 0.00 0.00 33.01 31.11 1jt3 s GLN 63 CO 0.00 0.03 0.31 0.71 -2.12 0.00 0.00 175.29 174.22 1jt3 s TYR 64 N -1.42 3.61 0.32 0.91 1.51 0.96 -0.50 117.35 122.75 1jt3 s TYR 64 Ca 0.51 0.76 -0.29 0.00 -1.01 0.00 0.00 57.07 57.05 1jt3 s TYR 64 Cb -0.27 -2.23 -0.10 0.00 -0.11 0.00 0.00 41.96 39.25 1jt3 s TYR 64 CO 0.34 0.53 1.31 -1.17 -1.11 0.00 0.00 175.55 175.45 1jt3 s LEU 65 N -0.56 4.43 0.14 -1.29 2.96 0.70 0.20 118.68 125.26 1jt3 s LEU 65 Ca 0.20 2.67 -0.16 0.00 -0.22 0.00 0.00 54.13 56.61 1jt3 s LEU 65 Cb -0.14 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 42.93 1jt3 s LEU 65 CO 0.08 -0.53 0.43 0.00 -1.32 0.00 0.00 176.35 175.01 1jt3 s ALA 66 N -1.05 -0.92 -0.10 5.97 0.00 0.14 -4.40 121.76 121.40 1jt3 s ALA 66 Ca 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.35 1jt3 s ALA 66 Cb -0.40 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1jt3 s ALA 66 CO 0.52 -0.69 -0.07 1.41 0.00 0.00 0.00 175.76 176.93 1jt3 s MET 67 N -3.83 1.42 1.06 0.00 1.75 -0.92 0.68 119.30 119.47 1jt3 s MET 67 Ca 0.05 -0.23 -0.17 0.00 -1.25 0.00 0.00 55.69 54.09 1jt3 s MET 67 Cb 0.01 -1.46 0.23 0.00 2.84 0.00 0.00 34.83 36.45 1jt3 s MET 67 CO -0.09 -0.22 1.19 0.16 -0.65 0.00 0.00 175.02 175.40 1jt3 s ASP 68 N 1.55 2.20 0.53 1.11 1.47 0.60 -4.82 116.67 119.31 1jt3 s ASP 68 Ca 0.01 0.58 0.23 0.00 1.18 0.00 0.00 52.55 54.55 1jt3 s ASP 68 Cb -0.13 -0.83 1.36 0.00 -0.34 0.00 0.00 42.92 42.98 1jt3 s ASP 68 CO -0.06 -3.33 2.04 0.00 0.68 0.00 0.00 175.17 174.51 1jt3 h THR 69 N -2.04 0.81 -0.54 2.11 1.03 -2.01 0.34 112.91 112.61 1jt3 h THR 69 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 1jt3 h THR 69 Cb 1.28 0.81 0.00 0.00 -1.07 0.00 0.00 68.15 69.17 1jt3 h THR 69 CO 0.41 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.39 1jt3 n ASP 70 N -4.42 3.05 0.00 0.00 8.00 -1.26 -4.92 116.55 117.00 1jt3 n ASP 70 Ca 0.06 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1jt3 n ASP 70 Cb 0.46 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 1.30 0.50 3.73 0.44 0.00 0.11 -4.64 105.19 106.63 1jt3 n GLY 71 Ca 0.18 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 4.33 0.09 0.99 1.43 -1.26 -0.30 118.68 123.96 1jt3 s LEU 72 Ca 0.00 1.01 -0.28 0.00 -1.03 0.00 0.00 54.13 53.83 1jt3 s LEU 72 Cb 0.00 -2.86 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 1jt3 s LEU 72 CO 0.00 0.01 0.88 -0.69 0.23 0.00 0.00 176.35 176.78 1jt3 s VAL 73 N 0.40 4.59 0.23 -1.59 1.01 -1.26 -0.29 120.40 123.49 1jt3 s VAL 73 Ca 0.30 1.90 -0.10 0.00 0.00 0.00 0.00 61.98 64.08 1jt3 s VAL 73 Cb -0.17 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1jt3 s VAL 73 CO 0.14 0.34 0.39 -0.72 0.00 0.00 0.00 175.10 175.24 1jt3 s TYR 74 N -0.03 0.51 -0.30 5.22 1.13 0.21 -4.49 117.35 119.61 1jt3 s TYR 74 Ca 0.44 -0.85 -0.11 0.00 -1.41 0.00 0.00 57.07 55.14 1jt3 s TYR 74 Cb -0.22 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.62 1jt3 s TYR 74 CO 0.27 -0.89 0.19 0.20 -2.51 0.00 0.00 175.55 172.81 1jt3 s GLY 75 N -3.04 1.92 -0.14 5.49 0.00 -0.66 0.25 107.32 111.14 1jt3 s GLY 75 Ca 0.25 -1.21 -0.08 0.00 0.00 0.00 0.00 44.72 43.68 1jt3 s GLY 75 CO 0.08 0.68 0.14 -0.45 0.00 0.00 0.00 173.10 173.55 1jt3 s SER 76 N 1.72 6.33 0.41 1.64 0.15 0.13 -4.64 113.70 119.45 1jt3 s SER 76 Ca 0.06 0.40 0.22 0.00 0.70 0.00 0.00 55.95 57.33 1jt3 s SER 76 Cb -0.16 -2.07 0.82 0.00 -1.71 0.00 0.00 66.02 62.90 1jt3 s SER 76 CO 0.10 0.35 1.79 1.56 1.20 0.00 0.00 173.24 178.23 1jt3 h GLN 77 N 5.43 0.00 -5.55 5.44 1.08 -1.91 0.27 115.11 119.87 1jt3 h GLN 77 Ca -0.51 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.24 1jt3 h GLN 77 Cb 1.21 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.42 1jt3 h GLN 77 CO 0.63 0.29 -0.79 0.95 -0.95 0.00 0.00 178.83 178.95 1jt3 s THR 78 N -3.65 1.27 0.11 -0.54 -4.23 -1.26 -4.79 115.64 102.54 1jt3 s THR 78 Ca 0.00 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 1jt3 s THR 78 Cb 0.11 -1.19 -0.06 0.00 1.34 0.00 0.00 72.50 72.69 1jt3 s THR 78 CO 0.66 -0.17 1.10 -2.16 -0.54 0.00 0.00 174.62 173.51 1jt3 s PRO 79 N -1.74 4.55 0.33 3.99 0.04 -1.26 -4.86 135.00 136.04 1jt3 s PRO 79 Ca 0.00 1.67 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 1jt3 s PRO 79 Cb -0.10 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1jt3 s PRO 79 CO 0.03 -0.03 0.47 0.54 0.04 0.00 0.00 177.00 178.05 1jt3 s ASN 80 N 0.42 0.73 0.62 6.66 2.20 -1.26 -5.03 114.94 119.28 1jt3 s ASN 80 Ca 0.52 -1.40 0.30 0.00 -0.94 0.00 0.00 52.86 51.34 1jt3 s ASN 80 Cb -0.28 0.65 1.64 0.00 -2.00 0.00 0.00 41.25 41.26 1jt3 s ASN 80 CO 0.32 -1.28 1.91 1.05 -2.94 0.00 0.00 177.10 176.16 1jt3 h GLU 81 N 2.14 0.00 -0.00 3.55 4.11 -2.00 0.74 114.58 123.13 1jt3 h GLU 81 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1jt3 h GLU 81 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jt3 h GLU 81 CO 0.39 0.00 -0.08 0.39 0.07 0.00 0.00 179.01 179.78 1jt3 n GLU 82 N -2.80 0.56 0.00 1.06 1.02 -1.26 -3.69 120.64 115.53 1jt3 n GLU 82 Ca -0.02 -0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.10 1jt3 n GLU 82 Cb 0.31 -1.50 0.09 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.96 4.48 0.06 0.00 1.43 -1.24 -4.44 118.68 116.01 1jt3 s LEU 84 Ca 0.11 1.25 0.05 0.00 -1.03 0.00 0.00 54.13 54.50 1jt3 s LEU 84 Cb 0.17 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1jt3 s LEU 84 CO 0.76 0.18 -0.13 -0.36 0.23 0.00 0.00 176.35 177.03 1jt3 s PHE 85 N -0.65 1.13 -0.52 0.29 0.40 -0.19 -1.69 117.98 116.75 1jt3 s PHE 85 Ca 0.31 -0.45 -0.19 0.00 -0.60 0.00 0.00 56.93 56.00 1jt3 s PHE 85 Cb -0.19 -0.65 0.07 0.00 0.51 0.00 0.00 43.02 42.76 1jt3 s PHE 85 CO 0.19 0.03 0.65 -0.51 0.70 0.00 0.00 175.22 176.28 1jt3 s LEU 86 N -1.62 5.02 -0.28 -0.37 1.43 0.31 -0.53 118.68 122.64 1jt3 s LEU 86 Ca -0.03 -0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 51.84 1jt3 s LEU 86 Cb -0.10 -2.43 -0.00 0.00 0.03 0.00 0.00 46.19 43.69 1jt3 s LEU 86 CO 0.02 -0.94 0.83 -0.70 0.23 0.00 0.00 176.35 175.79 1jt3 s GLU 87 N 2.68 4.08 0.13 1.70 2.12 -0.15 -2.09 118.70 127.18 1jt3 s GLU 87 Ca 0.15 0.80 0.03 0.00 0.36 0.00 0.00 54.97 56.31 1jt3 s GLU 87 Cb -0.20 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1jt3 s GLU 87 CO 0.11 -0.62 -0.09 1.03 -0.54 0.00 0.00 175.26 175.15 1jt3 s ARG 88 N 2.96 0.99 0.37 4.30 1.81 -0.50 -4.71 118.95 124.18 1jt3 s ARG 88 Ca 0.35 -1.42 -0.24 0.00 -1.72 0.00 0.00 55.73 52.70 1jt3 s ARG 88 Cb -0.14 -0.48 -0.10 0.00 -0.45 0.00 0.00 34.95 33.78 1jt3 s ARG 88 CO 0.10 0.04 0.96 -1.17 -0.68 0.00 0.00 175.30 174.55 1jt3 s LEU 89 N -3.13 4.16 -0.01 2.53 2.96 0.04 -0.93 118.68 124.30 1jt3 s LEU 89 Ca 0.15 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.88 1jt3 s LEU 89 Cb 0.04 -4.23 0.01 0.00 0.50 0.00 0.00 46.19 42.50 1jt3 s LEU 89 CO -0.01 -0.25 0.00 -0.70 -1.32 0.00 0.00 176.35 174.08 1jt3 s GLU 90 N -2.54 0.06 -1.30 1.98 2.56 0.17 -4.81 118.70 114.83 1jt3 s GLU 90 Ca 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 54.97 55.52 1jt3 s GLU 90 Cb -0.16 -0.15 0.03 0.00 2.00 0.00 0.00 34.13 35.85 1jt3 s GLU 90 CO 0.20 -0.05 0.31 0.39 -0.56 0.00 0.00 175.26 175.56 1jt3 n GLU 91 N 3.45 -3.19 -2.35 4.30 1.02 -1.26 -0.88 120.64 121.73 1jt3 n GLU 91 Ca -0.18 0.65 -0.14 0.00 -0.02 0.00 0.00 57.16 57.47 1jt3 n GLU 91 Cb 0.56 -5.35 -0.01 0.00 -0.02 0.00 0.00 31.44 26.62 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 -2.15 -4.27 0.00 1.62 4.13 -1.26 -4.59 115.26 108.73 1jt3 n ASN 92 Ca -0.10 0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1jt3 n ASN 92 Cb 0.59 -3.64 0.00 0.00 -1.54 0.00 0.00 39.78 35.20 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 -3.39 -1.19 -2.55 3.10 -0.00 -0.06 -5.15 115.22 105.99 1jt3 n HIS 93 Ca -0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.33 1jt3 n HIS 93 Cb 0.61 0.31 0.04 0.00 -0.00 0.00 0.00 29.99 30.96 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 -1.62 2.94 -0.12 1.57 2.02 -0.06 -4.83 117.35 117.23 1jt3 s TYR 94 Ca 0.00 0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1jt3 s TYR 94 Cb 0.00 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 1jt3 s TYR 94 CO 0.00 -0.95 -0.04 -0.80 -1.57 0.00 0.00 175.55 172.19 1jt3 s ASN 95 N -4.42 4.80 0.10 2.29 -0.87 -0.12 0.46 114.94 117.18 1jt3 s ASN 95 Ca 0.57 -0.07 0.09 0.00 -1.57 0.00 0.00 52.86 51.88 1jt3 s ASN 95 Cb -0.10 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.25 39.50 1jt3 s ASN 95 CO 0.40 0.24 -0.24 0.42 -2.57 0.00 0.00 177.10 175.36 1jt3 s THR 96 N -0.09 1.96 -0.26 1.60 -4.23 -0.10 -0.87 115.64 113.65 1jt3 s THR 96 Ca 0.02 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1jt3 s THR 96 Cb -0.13 -1.74 0.07 0.00 1.34 0.00 0.00 72.50 72.04 1jt3 s THR 96 CO 0.03 0.08 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.87 1jt3 s TYR 97 N -1.04 2.30 -0.20 3.99 2.02 -1.26 -1.41 117.35 121.76 1jt3 s TYR 97 Ca 0.10 -1.81 -0.12 0.00 -0.37 0.00 0.00 57.07 54.88 1jt3 s TYR 97 Cb -0.10 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.71 1jt3 s TYR 97 CO 0.04 -0.80 0.20 0.42 -1.57 0.00 0.00 175.55 173.85 1jt3 s ILE 98 N 1.42 5.35 -0.04 2.71 1.01 -0.89 -1.02 121.20 129.75 1jt3 s ILE 98 Ca -0.01 0.33 -0.34 0.00 0.00 0.00 0.00 60.65 60.64 1jt3 s ILE 98 Cb -0.18 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 1jt3 s ILE 98 CO -0.10 0.39 1.84 -0.24 0.00 0.00 0.00 174.94 176.83 1jt3 n SER 99 N 3.75 3.43 -0.14 3.58 2.88 0.84 -0.53 113.62 127.44 1jt3 n SER 99 Ca -0.14 0.99 -0.10 0.00 -1.33 0.00 0.00 58.87 58.29 1jt3 n SER 99 Cb 0.52 -1.39 -0.01 0.00 -0.75 0.00 0.00 64.21 62.58 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 8.74 0.66 -0.90 -1.46 3.64 -1.65 0.23 116.57 125.84 1jt3 h LYS 100 Ca -0.48 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 58.78 1jt3 h LYS 100 Cb 1.27 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1jt3 h LYS 100 CO 0.94 0.72 0.56 -0.22 -2.27 0.00 0.00 179.45 179.18 1jt3 h LYS 101 N 0.51 0.99 -0.48 1.90 1.63 -1.78 -2.63 116.57 116.71 1jt3 h LYS 101 Ca 0.12 -0.06 -0.19 0.00 -0.85 0.00 0.00 60.65 59.67 1jt3 h LYS 101 Cb 0.39 -0.22 -0.11 0.00 -0.60 0.00 0.00 32.23 31.68 1jt3 h LYS 101 CO 0.01 0.66 0.10 0.72 -3.45 0.00 0.00 179.45 177.48 1jt3 n HIS 102 N -4.59 1.53 -0.35 1.91 8.25 -1.11 -4.76 115.22 116.09 1jt3 n HIS 102 Ca 0.13 -1.41 0.10 0.00 -0.26 0.00 0.00 57.72 56.28 1jt3 n HIS 102 Cb 0.18 -0.54 0.28 0.00 1.12 0.00 0.00 29.99 31.03 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 1.42 1.60 0.00 -1.41 0.00 -0.15 -1.58 119.26 119.14 1jt3 h ALA 103 Ca 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1jt3 h ALA 103 Cb 1.88 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 1jt3 h ALA 103 CO 0.50 0.11 -0.04 1.05 0.00 0.00 0.00 179.25 180.87 1jt3 h GLU 104 N 0.90 0.00 -0.02 0.00 9.09 -1.85 -1.56 114.58 121.12 1jt3 h GLU 104 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1jt3 h GLU 104 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1jt3 h GLU 104 CO -0.30 0.04 0.00 1.63 0.05 0.00 0.00 179.01 180.43 1jt3 n LYS 105 N -3.59 1.99 -3.53 1.06 5.02 -0.60 -4.97 118.16 113.54 1jt3 n LYS 105 Ca -0.02 -1.44 -0.19 0.00 -2.02 0.00 0.00 58.31 54.63 1jt3 n LYS 105 Cb 0.14 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 33.75 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 0.75 -2.37 -4.63 4.39 3.02 -0.59 -4.96 115.26 110.88 1jt3 n ASN 106 Ca 0.17 -0.66 -0.40 0.00 -0.03 0.00 0.00 54.58 53.66 1jt3 n ASN 106 Cb 0.48 -4.83 -0.07 0.00 -0.61 0.00 0.00 39.78 34.74 1jt3 n ASN 106 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1jt3 s TRP 107 N -3.43 3.29 0.40 3.10 0.51 -1.24 -4.66 118.94 116.92 1jt3 s TRP 107 Ca 0.08 0.67 0.08 0.00 -2.12 0.00 0.00 56.10 54.81 1jt3 s TRP 107 Cb -0.04 -2.71 -0.05 0.00 -0.81 0.00 0.00 33.47 29.87 1jt3 s TRP 107 CO 0.75 -0.23 0.20 -0.06 -0.51 0.00 0.00 176.95 177.10 1jt3 s PHE 108 N 2.14 2.64 -0.01 -1.98 0.40 -1.26 -0.11 117.98 119.78 1jt3 s PHE 108 Ca 0.22 -0.54 -0.24 0.00 -0.60 0.00 0.00 56.93 55.77 1jt3 s PHE 108 Cb -0.16 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 1jt3 s PHE 108 CO 0.09 0.16 0.71 0.08 0.70 0.00 0.00 175.22 176.96 1jt3 s VAL 109 N -2.55 4.90 -0.12 -0.44 1.01 -0.19 -4.64 120.40 118.37 1jt3 s VAL 109 Ca 0.42 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.59 1jt3 s VAL 109 Cb 0.02 -4.05 0.08 0.00 0.00 0.00 0.00 36.38 32.42 1jt3 s VAL 109 CO 0.23 0.32 0.73 -0.83 0.00 0.00 0.00 175.10 175.55 1jt3 s GLY 110 N 0.31 -0.53 -0.08 4.51 0.00 -1.26 -4.42 107.32 105.84 1jt3 s GLY 110 Ca 0.37 1.60 0.03 0.00 0.00 0.00 0.00 44.72 46.71 1jt3 s GLY 110 CO 0.20 1.19 -0.15 1.08 0.00 0.00 0.00 173.10 175.42 1jt3 s LEU 111 N -0.74 2.67 0.74 0.66 1.43 -0.72 -0.60 118.68 122.11 1jt3 s LEU 111 Ca -0.07 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1jt3 s LEU 111 Cb -0.01 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.69 1jt3 s LEU 111 CO 0.07 0.28 1.12 -0.54 0.23 0.00 0.00 176.35 177.50 1jt3 s LYS 112 N -0.34 2.54 0.61 1.70 1.02 0.30 -4.41 119.74 121.16 1jt3 s LYS 112 Ca 0.03 0.31 0.35 0.00 0.02 0.00 0.00 55.97 56.68 1jt3 s LYS 112 Cb -0.13 -2.01 1.98 0.00 -0.52 0.00 0.00 37.83 37.15 1jt3 s LYS 112 CO 0.02 -1.22 2.27 0.87 -0.92 0.00 0.00 175.35 176.37 1jt3 h LYS 113 N -0.78 0.00 -0.01 1.68 1.57 -1.88 -0.16 116.57 117.00 1jt3 h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1jt3 h LYS 113 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1jt3 h LYS 113 CO 0.64 0.01 -0.01 0.27 -0.57 0.00 0.00 179.45 179.80 1jt3 n ASN 114 N -3.54 0.74 0.00 0.86 0.23 -1.26 -4.68 115.26 107.61 1jt3 n ASN 114 Ca -0.03 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1jt3 n ASN 114 Cb 0.10 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 1jt3 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jt3 n GLY 115 N 1.11 0.75 3.88 4.83 0.00 -0.07 -5.00 105.19 110.68 1jt3 n GLY 115 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.60 6.49 0.72 1.61 1.04 -1.26 -1.10 113.70 118.61 1jt3 s SER 116 Ca 0.00 0.55 -0.14 0.00 0.48 0.00 0.00 55.95 56.84 1jt3 s SER 116 Cb 0.00 -2.09 0.04 0.00 0.10 0.00 0.00 66.02 64.07 1jt3 s SER 116 CO 0.00 0.26 1.16 0.00 0.98 0.00 0.00 173.24 175.64 1jt3 s LYS 118 N -4.10 3.48 0.19 0.00 1.02 0.23 -4.78 119.74 115.78 1jt3 s LYS 118 Ca 0.70 -0.46 -0.22 0.00 0.02 0.00 0.00 55.97 56.01 1jt3 s LYS 118 Cb -0.25 -2.90 -0.08 0.00 -0.52 0.00 0.00 37.83 34.08 1jt3 s LYS 118 CO 0.46 0.46 0.74 0.50 -0.92 0.00 0.00 175.35 176.58 1jt3 s ARG 119 N -3.26 4.37 0.08 1.68 3.52 -1.26 -4.67 118.95 119.41 1jt3 s ARG 119 Ca 0.37 0.97 -0.16 0.00 -0.13 0.00 0.00 55.73 56.78 1jt3 s ARG 119 Cb -0.11 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 1jt3 s ARG 119 CO 0.29 0.48 0.87 0.41 -0.81 0.00 0.00 175.30 176.53 1jt3 n GLY 120 N 1.11 -1.60 0.32 8.12 0.00 0.59 -0.14 105.19 113.59 1jt3 n GLY 120 Ca -0.04 0.65 0.19 0.00 0.00 0.00 0.00 46.02 46.82 1jt3 n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jt3 h PRO 121 N 0.00 0.00 0.00 1.61 0.11 -1.88 -1.87 132.00 129.96 1jt3 h PRO 121 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1jt3 h PRO 121 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 1jt3 h PRO 121 CO -0.47 0.01 -0.17 0.54 -0.21 0.00 0.00 178.00 177.69 1jt3 n ARG 122 N -3.43 0.18 -3.51 1.05 5.12 0.80 -4.86 116.66 112.01 1jt3 n ARG 122 Ca -0.03 0.11 -0.31 0.00 -1.93 0.00 0.00 57.85 55.69 1jt3 n ARG 122 Cb 0.09 -1.68 -0.05 0.00 -1.16 0.00 0.00 32.46 29.67 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 -3.08 5.03 -0.03 0.55 -4.23 -0.70 -4.95 115.64 108.22 1jt3 s THR 123 Ca 0.11 0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 60.58 1jt3 s THR 123 Cb 0.15 -3.63 0.10 0.00 1.34 0.00 0.00 72.50 70.46 1jt3 s THR 123 CO 0.61 -0.06 0.86 -1.38 -0.54 0.00 0.00 174.62 174.11 1jt3 s HIS 124 N -1.79 -0.42 0.24 3.99 -3.43 -1.26 -4.76 115.29 107.86 1jt3 s HIS 124 Ca 0.45 0.46 -0.31 0.00 -0.80 0.00 0.00 55.06 54.86 1jt3 s HIS 124 Cb -0.11 0.50 -0.14 0.00 -1.43 0.00 0.00 32.58 31.40 1jt3 s HIS 124 CO 0.23 -0.53 1.32 0.66 -2.00 0.00 0.00 174.74 174.43 1jt3 n TYR 125 N 0.16 1.94 0.00 0.38 4.01 -1.26 -2.17 117.16 120.22 1jt3 n TYR 125 Ca -0.11 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 1jt3 n TYR 125 Cb 0.60 -2.41 0.00 0.00 -0.31 0.00 0.00 39.34 37.23 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 1.97 1.69 3.85 2.72 0.00 -1.26 -5.08 105.19 109.08 1jt3 n GLY 126 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.70 3.95 0.30 1.61 -0.21 -0.92 -4.97 119.66 118.73 1jt3 s GLN 127 Ca 0.00 0.64 0.16 0.00 0.02 0.00 0.00 55.36 56.18 1jt3 s GLN 127 Cb 0.00 -2.41 0.22 0.00 1.00 0.00 0.00 33.01 31.82 1jt3 s GLN 127 CO 0.00 0.10 1.51 0.87 -2.12 0.00 0.00 175.29 175.65 1jt3 h LYS 128 N 1.98 0.00 -0.34 2.91 1.79 -1.96 -3.30 116.57 117.65 1jt3 h LYS 128 Ca -0.48 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.07 1jt3 h LYS 128 Cb 1.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.81 1jt3 h LYS 128 CO 0.65 0.49 0.24 0.00 -1.08 0.00 0.00 179.45 179.75 1jt3 h ALA 129 N 1.51 2.20 -0.01 3.86 0.00 -1.94 -2.15 119.26 122.73 1jt3 h ALA 129 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jt3 h ALA 129 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jt3 h ALA 129 CO 0.06 -0.29 -0.35 0.44 0.00 0.00 0.00 179.25 179.12 1jt3 n ILE 130 N -4.46 0.00 -2.86 0.00 -5.35 -1.24 -1.76 119.36 103.69 1jt3 n ILE 130 Ca 0.05 -0.09 -0.42 0.00 -0.27 0.00 0.00 62.75 62.03 1jt3 n ILE 130 Cb 0.35 0.37 -0.04 0.00 -1.74 0.00 0.00 39.64 38.58 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 -2.67 4.19 0.16 7.28 1.43 -0.81 -4.44 118.68 123.81 1jt3 s LEU 131 Ca 0.20 1.24 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 1jt3 s LEU 131 Cb 0.19 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1jt3 s LEU 131 CO 0.58 -0.40 -0.19 -0.36 0.23 0.00 0.00 176.35 176.22 1jt3 s PHE 132 N 2.08 1.82 -0.15 0.29 0.08 -0.05 -2.62 117.98 119.44 1jt3 s PHE 132 Ca 0.40 -0.46 0.00 0.00 0.12 0.00 0.00 56.93 56.99 1jt3 s PHE 132 Cb -0.17 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 1jt3 s PHE 132 CO 0.13 0.31 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.93 1jt3 s LEU 133 N -2.54 1.68 -0.30 -0.37 1.43 0.39 -0.94 118.68 118.03 1jt3 s LEU 133 Ca 0.14 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 1jt3 s LEU 133 Cb -0.06 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 45.03 1jt3 s LEU 133 CO 0.06 -0.08 0.93 -2.16 0.23 0.00 0.00 176.35 175.34 1jt3 s PRO 134 N 1.51 4.05 0.12 1.29 0.04 -1.26 -0.63 135.00 140.12 1jt3 s PRO 134 Ca 0.04 0.89 0.06 0.00 0.04 0.00 0.00 61.00 62.04 1jt3 s PRO 134 Cb -0.13 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1jt3 s PRO 134 CO -0.10 -0.75 -0.01 -0.51 0.04 0.00 0.00 177.00 175.67 1jt3 s LEU 135 N 3.24 3.35 0.46 -3.56 1.43 0.65 -4.89 118.68 119.36 1jt3 s LEU 135 Ca 0.39 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.98 1jt3 s LEU 135 Cb -0.14 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 43.94 1jt3 s LEU 135 CO 0.12 0.14 1.15 -2.84 0.23 0.00 0.00 176.35 175.15 1jt3 s PRO 136 N -2.52 3.78 0.00 1.29 0.02 -1.26 0.13 135.00 136.44 1jt3 s PRO 136 Ca 0.26 1.72 0.26 0.00 0.02 0.00 0.00 61.00 63.26 1jt3 s PRO 136 Cb -0.11 -2.39 1.58 0.00 0.02 0.00 0.00 34.50 33.61 1jt3 s PRO 136 CO 0.18 -0.52 1.93 1.33 -0.33 0.00 0.00 177.00 179.59