#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jt7 n PHE 1 N 0.00 0.77 -2.70 -1.40 7.35 -1.26 -5.02 117.46 115.20 1jt7 n PHE 1 Ca 0.00 -1.47 -0.43 0.00 -0.76 0.00 0.00 57.45 54.79 1jt7 n PHE 1 Cb 0.00 -0.24 -0.02 0.00 0.35 0.00 0.00 39.48 39.57 1jt7 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jt7 s ASN 2 N -3.06 7.01 0.09 -2.13 0.01 -1.26 -5.02 114.94 110.59 1jt7 s ASN 2 Ca 0.38 1.23 0.02 0.00 -0.71 0.00 0.00 52.86 53.78 1jt7 s ASN 2 Cb 0.38 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 1jt7 s ASN 2 CO -0.07 -0.69 0.16 -0.76 -1.51 0.00 0.00 177.10 174.22 1jt7 s LEU 3 N 3.24 4.06 0.52 0.60 1.43 -1.26 -1.39 118.68 125.89 1jt7 s LEU 3 Ca 0.43 0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.55 1jt7 s LEU 3 Cb -0.14 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1jt7 s LEU 3 CO 0.08 0.14 0.86 -2.16 0.23 0.00 0.00 176.35 175.51 1jt7 s PRO 4 N -2.64 3.56 0.71 1.29 0.04 -1.26 -4.62 135.00 132.08 1jt7 s PRO 4 Ca 0.32 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 1jt7 s PRO 4 Cb -0.12 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.15 1jt7 s PRO 4 CO 0.25 -0.32 1.09 -1.25 0.04 0.00 0.00 177.00 176.81 1jt7 s PRO 5 N -4.87 2.82 0.00 0.56 0.04 -1.26 -4.99 135.00 127.30 1jt7 s PRO 5 Ca 0.50 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1jt7 s PRO 5 Cb -0.10 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1jt7 s PRO 5 CO 0.48 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1jt7 n GLY 6 N -2.85 0.98 3.29 0.56 0.00 -1.26 -5.10 105.19 100.81 1jt7 n GLY 6 Ca 0.07 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 1jt7 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jt7 s ASN 7 N -0.04 0.01 -0.03 1.61 2.20 -1.26 -5.07 114.94 112.37 1jt7 s ASN 7 Ca 0.00 -0.67 0.20 0.00 -0.94 0.00 0.00 52.86 51.45 1jt7 s ASN 7 Cb 0.00 0.41 0.63 0.00 -2.00 0.00 0.00 41.25 40.29 1jt7 s ASN 7 CO 0.00 -0.83 1.53 -1.22 -2.94 0.00 0.00 177.10 173.64 1jt7 n TYR 8 N -0.16 1.04 0.07 1.54 4.01 -1.26 -4.60 117.16 117.80 1jt7 n TYR 8 Ca -0.12 -0.49 -0.12 0.00 -0.16 0.00 0.00 57.90 57.02 1jt7 n TYR 8 Cb 0.63 -0.06 -0.06 0.00 -0.31 0.00 0.00 39.34 39.54 1jt7 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jt7 h LYS 9 N 4.01 -0.15 -6.12 -0.72 1.79 -1.98 -3.43 116.57 109.98 1jt7 h LYS 9 Ca 0.00 0.01 -0.52 0.00 -2.18 0.00 0.00 60.65 57.96 1jt7 h LYS 9 Cb 1.04 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.69 1jt7 h LYS 9 CO 0.05 -0.10 -0.48 0.15 -1.08 0.00 0.00 179.45 177.99 1jt7 s LYS 10 N -6.16 3.29 0.82 3.15 3.01 -1.26 -5.04 119.74 117.54 1jt7 s LYS 10 Ca -0.14 -0.73 -0.11 0.00 -1.01 0.00 0.00 55.97 53.98 1jt7 s LYS 10 Cb 0.07 -2.85 0.09 0.00 -1.01 0.00 0.00 37.83 34.13 1jt7 s LYS 10 CO 0.66 0.48 1.09 -2.14 0.51 0.00 0.00 175.35 175.96 1jt7 s PRO 11 N -3.45 1.85 0.15 -1.68 0.01 -1.26 -4.70 135.00 125.92 1jt7 s PRO 11 Ca 0.34 1.09 -0.03 0.00 0.01 0.00 0.00 61.00 62.41 1jt7 s PRO 11 Cb -0.10 -1.86 -0.03 0.00 0.01 0.00 0.00 34.50 32.52 1jt7 s PRO 11 CO 0.27 -1.90 0.11 0.15 0.01 0.00 0.00 177.00 175.64 1jt7 s LYS 12 N -4.89 1.01 0.09 5.54 1.02 0.11 -2.94 119.74 119.68 1jt7 s LYS 12 Ca 0.62 -1.40 0.02 0.00 0.02 0.00 0.00 55.97 55.23 1jt7 s LYS 12 Cb -0.18 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1jt7 s LYS 12 CO 0.57 -0.31 0.18 -0.51 -0.92 0.00 0.00 175.35 174.35 1jt7 s LEU 13 N -3.04 4.15 -0.38 3.17 1.43 0.16 -0.54 118.68 123.62 1jt7 s LEU 13 Ca 0.24 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1jt7 s LEU 13 Cb 0.06 -2.76 0.11 0.00 0.03 0.00 0.00 46.19 43.63 1jt7 s LEU 13 CO 0.03 0.14 0.10 -0.76 0.23 0.00 0.00 176.35 176.08 1jt7 s LEU 14 N -2.67 4.78 -0.17 1.79 1.43 -1.26 -0.83 118.68 121.74 1jt7 s LEU 14 Ca 0.33 -2.27 -0.21 0.00 -1.03 0.00 0.00 54.13 50.96 1jt7 s LEU 14 Cb -0.12 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1jt7 s LEU 14 CO 0.26 -0.38 0.61 -0.47 0.23 0.00 0.00 176.35 176.60 1jt7 s TYR 15 N 0.76 3.42 -0.34 0.29 5.04 -0.29 -0.66 117.35 125.58 1jt7 s TYR 15 Ca 0.12 0.95 -0.12 0.00 -2.44 0.00 0.00 57.07 55.58 1jt7 s TYR 15 Cb -0.20 -2.75 -0.01 0.00 0.35 0.00 0.00 41.96 39.35 1jt7 s TYR 15 CO -0.06 -0.08 0.22 0.00 -1.34 0.00 0.00 175.55 174.28 1jt7 h SER 17 N 8.46 0.00 -0.58 0.00 4.64 -1.84 0.14 113.55 124.37 1jt7 h SER 17 Ca -0.30 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.08 1jt7 h SER 17 Cb 1.14 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.14 1jt7 h SER 17 CO 0.64 0.09 -0.57 -1.13 -0.87 0.00 0.00 176.83 175.00 1jt7 h ASN 18 N 0.00 -1.95 -0.01 4.97 -1.24 -1.82 -3.05 115.58 112.48 1jt7 h ASN 18 Ca -0.00 0.27 0.00 0.00 0.71 0.00 0.00 56.30 57.28 1jt7 h ASN 18 Cb 0.19 0.82 0.00 0.00 0.73 0.00 0.00 38.32 40.06 1jt7 h ASN 18 CO 0.01 -0.35 -0.04 0.61 -1.29 0.00 0.00 177.43 176.36 1jt7 n GLY 19 N -1.34 -0.61 1.88 1.57 0.00 -1.24 -4.73 105.19 100.71 1jt7 n GLY 19 Ca -0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 1jt7 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jt7 n GLY 20 N 0.49 0.23 3.42 -0.02 0.00 0.43 -4.98 105.19 104.77 1jt7 n GLY 20 Ca 0.03 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1jt7 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jt7 s HIS 21 N -3.12 2.29 -0.22 1.61 3.76 -0.77 -4.57 115.29 114.27 1jt7 s HIS 21 Ca 0.04 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.48 1jt7 s HIS 21 Cb -0.02 -1.15 -0.05 0.00 1.11 0.00 0.00 32.58 32.48 1jt7 s HIS 21 CO 0.24 0.48 0.17 -0.06 -0.85 0.00 0.00 174.74 174.73 1jt7 s PHE 22 N -1.62 3.36 0.37 1.40 0.08 0.15 0.99 117.98 122.72 1jt7 s PHE 22 Ca 0.20 0.31 -0.27 0.00 0.12 0.00 0.00 56.93 57.29 1jt7 s PHE 22 Cb -0.08 -2.25 -0.12 0.00 -0.57 0.00 0.00 43.02 40.00 1jt7 s PHE 22 CO 0.09 0.15 1.24 -0.11 -0.10 0.00 0.00 175.22 176.50 1jt7 n LEU 23 N 3.97 3.47 -3.85 -0.37 7.94 0.17 -1.79 117.00 126.55 1jt7 n LEU 23 Ca -0.15 1.16 -0.12 0.00 -1.11 0.00 0.00 56.01 55.79 1jt7 n LEU 23 Cb 0.52 -1.46 -0.14 0.00 0.53 0.00 0.00 43.42 42.87 1jt7 n LEU 23 CO 0.36 -0.69 -0.31 -0.60 -1.11 0.00 0.00 177.39 175.05 1jt7 s ARG 24 N -1.96 0.06 -0.27 1.96 3.52 0.96 -4.41 118.95 118.81 1jt7 s ARG 24 Ca 0.58 0.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.28 1jt7 s ARG 24 Cb -0.56 0.02 0.07 0.00 -1.56 0.00 0.00 34.95 32.92 1jt7 s ARG 24 CO 0.60 -0.01 -0.06 0.42 -0.81 0.00 0.00 175.30 175.44 1jt7 s ILE 25 N 0.07 2.00 0.75 4.11 1.01 -0.98 -1.18 121.20 126.99 1jt7 s ILE 25 Ca -0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 58.85 1jt7 s ILE 25 Cb -0.01 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.27 1jt7 s ILE 25 CO -0.00 -0.18 1.08 -0.76 0.00 0.00 0.00 174.94 175.08 1jt7 s LEU 26 N 1.14 2.83 0.51 2.97 1.43 0.14 -4.82 118.68 122.88 1jt7 s LEU 26 Ca -0.04 1.44 0.19 0.00 -1.03 0.00 0.00 54.13 54.70 1jt7 s LEU 26 Cb -0.19 -4.17 1.27 0.00 0.03 0.00 0.00 46.19 43.13 1jt7 s LEU 26 CO -0.07 -1.75 2.07 -0.65 0.23 0.00 0.00 176.35 176.18 1jt7 h PRO 27 N -0.93 0.07 0.00 1.29 0.11 -1.99 0.93 132.00 131.48 1jt7 h PRO 27 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jt7 h PRO 27 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jt7 h PRO 27 CO 0.58 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 1jt7 n ASP 28 N -4.47 0.00 0.00 -2.05 5.75 -1.26 -4.86 116.55 109.67 1jt7 n ASP 28 Ca 0.04 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1jt7 n ASP 28 Cb 0.32 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 1jt7 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jt7 n GLY 29 N 0.98 0.34 3.75 6.12 0.00 0.32 -4.98 105.19 111.72 1jt7 n GLY 29 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1jt7 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jt7 s THR 30 N -2.12 2.62 -0.14 2.61 2.01 -1.25 -1.22 115.64 118.15 1jt7 s THR 30 Ca 0.00 0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 1jt7 s THR 30 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1jt7 s THR 30 CO 0.00 0.08 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.23 1jt7 s VAL 31 N -0.01 3.37 0.00 3.82 1.01 -1.26 -0.69 120.40 126.64 1jt7 s VAL 31 Ca 0.59 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1jt7 s VAL 31 Cb -0.42 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1jt7 s VAL 31 CO 0.44 0.51 0.00 -0.90 0.00 0.00 0.00 175.10 175.15 1jt7 n ASP 32 N 3.50 0.00 -4.17 3.32 5.75 -0.32 -4.34 116.55 120.29 1jt7 n ASP 32 Ca -0.18 -0.12 -0.17 0.00 -0.01 0.00 0.00 54.79 54.31 1jt7 n ASP 32 Cb 0.53 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.50 1jt7 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jt7 s GLY 33 N -0.19 0.87 0.01 6.12 0.00 0.14 -0.02 107.32 114.24 1jt7 s GLY 33 Ca 0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.67 1jt7 s GLY 33 CO 0.00 -1.09 -0.01 -1.08 0.00 0.00 0.00 173.10 170.92 1jt7 s THR 34 N -1.54 0.07 -0.86 0.90 -1.32 -0.74 -4.79 115.64 107.36 1jt7 s THR 34 Ca -0.00 -0.58 0.25 0.00 -1.21 0.00 0.00 61.69 60.15 1jt7 s THR 34 Cb -0.08 -0.18 0.03 0.00 -1.51 0.00 0.00 72.50 70.76 1jt7 s THR 34 CO 0.02 -0.32 1.40 0.54 -2.21 0.00 0.00 174.62 174.05 1jt7 n ARG 35 N 2.12 0.11 -2.28 7.08 1.74 -1.26 -0.68 116.66 123.50 1jt7 n ARG 35 Ca -0.20 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.51 1jt7 n ARG 35 Cb 0.57 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.41 1jt7 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jt7 s ASP 36 N -3.47 5.88 0.61 0.55 2.15 -1.26 -4.85 116.67 116.27 1jt7 s ASP 36 Ca 0.09 0.31 0.36 0.00 0.43 0.00 0.00 52.55 53.74 1jt7 s ASP 36 Cb 0.16 -2.54 1.98 0.00 -0.30 0.00 0.00 42.92 42.22 1jt7 s ASP 36 CO 0.70 -1.90 2.26 -0.09 -0.17 0.00 0.00 175.17 175.96 1jt7 h ARG 37 N 12.16 0.00 -0.01 4.34 9.65 -2.01 -1.60 114.38 136.91 1jt7 h ARG 37 Ca -0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 1jt7 h ARG 37 Cb 1.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1jt7 h ARG 37 CO 1.19 0.02 -0.06 -1.13 2.80 0.00 0.00 179.97 182.79 1jt7 n SER 38 N -3.45 0.70 -4.68 -3.80 3.41 -1.26 -4.92 113.62 99.62 1jt7 n SER 38 Ca -0.03 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 1jt7 n SER 38 Cb 0.12 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1jt7 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jt7 n ASP 39 N -0.61 2.41 -0.46 4.04 -0.08 -0.61 -4.89 116.55 116.35 1jt7 n ASP 39 Ca 0.18 1.17 0.11 0.00 -1.51 0.00 0.00 54.79 54.74 1jt7 n ASP 39 Cb 0.27 -1.45 0.45 0.00 2.34 0.00 0.00 41.12 42.72 1jt7 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jt7 n GLN 40 N 0.44 1.62 -0.56 -0.67 1.13 -1.26 -4.10 117.38 113.98 1jt7 n GLN 40 Ca 0.06 -0.92 0.06 0.00 -1.94 0.00 0.00 57.00 54.26 1jt7 n GLN 40 Cb 0.36 -1.41 0.15 0.00 0.11 0.00 0.00 30.24 29.46 1jt7 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jt7 n HIS 41 N 0.13 0.00 0.15 1.08 8.25 -1.26 -4.63 115.22 118.94 1jt7 n HIS 41 Ca 0.17 -1.13 0.05 0.00 -0.26 0.00 0.00 57.72 56.56 1jt7 n HIS 41 Cb 0.30 -0.19 0.09 0.00 1.12 0.00 0.00 29.99 31.31 1jt7 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jt7 n ILE 42 N -0.92 0.48 -3.65 1.59 -5.35 -1.26 -2.31 119.36 107.93 1jt7 n ILE 42 Ca 0.15 -0.74 -0.36 0.00 -0.27 0.00 0.00 62.75 61.54 1jt7 n ILE 42 Cb 0.74 0.88 -0.08 0.00 -1.74 0.00 0.00 39.64 39.44 1jt7 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jt7 s GLN 43 N -0.95 4.21 0.01 6.28 1.11 -1.26 -4.38 119.66 124.68 1jt7 s GLN 43 Ca 0.17 -0.10 0.05 0.00 0.01 0.00 0.00 55.36 55.49 1jt7 s GLN 43 Cb 0.10 -3.43 -0.02 0.00 -1.01 0.00 0.00 33.01 28.65 1jt7 s GLN 43 CO 0.14 0.25 -0.16 -0.06 0.01 0.00 0.00 175.29 175.48 1jt7 s PHE 44 N 0.47 1.40 -0.34 0.91 0.08 0.30 -1.48 117.98 119.31 1jt7 s PHE 44 Ca 0.11 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 1jt7 s PHE 44 Cb -0.12 -0.87 -0.00 0.00 -0.57 0.00 0.00 43.02 41.45 1jt7 s PHE 44 CO 0.01 0.01 0.22 -1.14 -0.10 0.00 0.00 175.22 174.21 1jt7 s GLN 45 N -0.69 3.30 0.19 0.44 2.00 0.14 0.09 119.66 125.13 1jt7 s GLN 45 Ca 0.05 -0.77 -0.09 0.00 -2.00 0.00 0.00 55.36 52.55 1jt7 s GLN 45 Cb -0.07 -3.74 -0.07 0.00 0.80 0.00 0.00 33.01 29.93 1jt7 s GLN 45 CO 0.00 -0.50 0.50 -0.51 -0.50 0.00 0.00 175.29 174.28 1jt7 s LEU 46 N 1.66 4.22 -0.00 3.68 1.02 -1.26 -1.33 118.68 126.67 1jt7 s LEU 46 Ca 0.05 0.86 -0.07 0.00 0.02 0.00 0.00 54.13 54.99 1jt7 s LEU 46 Cb -0.18 -3.50 0.00 0.00 0.02 0.00 0.00 46.19 42.53 1jt7 s LEU 46 CO 0.09 -0.01 0.14 -0.94 0.02 0.00 0.00 176.35 175.65 1jt7 s SER 47 N -2.25 0.01 -0.12 2.29 1.04 -0.74 -4.78 113.70 109.15 1jt7 s SER 47 Ca 0.44 -0.16 -0.08 0.00 0.48 0.00 0.00 55.95 56.62 1jt7 s SER 47 Cb -0.12 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1jt7 s SER 47 CO 0.21 -0.34 0.17 0.00 0.98 0.00 0.00 173.24 174.26 1jt7 s ALA 48 N -1.26 3.82 0.00 5.32 0.00 -1.26 -0.82 121.76 127.57 1jt7 s ALA 48 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1jt7 s ALA 48 Cb -0.07 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1jt7 s ALA 48 CO 0.01 0.51 0.00 -1.91 0.00 0.00 0.00 175.76 174.38 1jt7 n GLU 49 N 2.26 0.00 -2.91 0.00 4.07 0.17 -4.96 120.64 119.28 1jt7 n GLU 49 Ca -0.18 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.72 1jt7 n GLU 49 Cb 0.54 -0.08 0.04 0.00 -0.06 0.00 0.00 31.44 31.89 1jt7 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1jt7 s SER 50 N -1.00 5.25 0.16 4.31 0.01 -1.26 -4.95 113.70 116.22 1jt7 s SER 50 Ca 0.00 -0.49 -0.31 0.00 1.31 0.00 0.00 55.95 56.45 1jt7 s SER 50 Cb 0.00 -0.29 -0.11 0.00 0.21 0.00 0.00 66.02 65.83 1jt7 s SER 50 CO 0.00 -1.15 1.76 -0.69 0.41 0.00 0.00 173.24 173.57 1jt7 s VAL 51 N -2.62 2.34 0.00 3.43 1.01 -1.26 -1.44 120.40 121.85 1jt7 s VAL 51 Ca 0.59 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1jt7 s VAL 51 Cb -0.08 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1jt7 s VAL 51 CO 0.37 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1jt7 n GLY 52 N 4.09 0.85 3.34 4.51 0.00 -1.26 -5.02 105.19 111.71 1jt7 n GLY 52 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1jt7 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jt7 s GLU 53 N -0.19 3.33 0.17 1.61 2.02 -0.52 -1.36 118.70 123.76 1jt7 s GLU 53 Ca 0.00 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.32 1jt7 s GLU 53 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 34.13 31.59 1jt7 s GLU 53 CO 0.00 0.19 -0.06 0.14 0.02 0.00 0.00 175.26 175.55 1jt7 s VAL 54 N 0.39 1.07 -0.03 2.63 -7.23 -0.13 -0.65 120.40 116.45 1jt7 s VAL 54 Ca -0.11 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.03 1jt7 s VAL 54 Cb -0.16 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1jt7 s VAL 54 CO 0.06 -0.60 -0.08 -0.31 -0.31 0.00 0.00 175.10 173.86 1jt7 s TYR 55 N -3.39 2.89 -0.32 2.82 2.02 0.00 -1.69 117.35 119.68 1jt7 s TYR 55 Ca 0.21 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 1jt7 s TYR 55 Cb 0.04 -1.65 0.08 0.00 -0.40 0.00 0.00 41.96 40.03 1jt7 s TYR 55 CO 0.03 0.33 0.01 0.42 -1.57 0.00 0.00 175.55 174.78 1jt7 s ILE 56 N -0.88 2.40 -0.17 2.71 1.01 -1.26 -1.78 121.20 123.21 1jt7 s ILE 56 Ca 0.14 -2.03 -0.05 0.00 0.00 0.00 0.00 60.65 58.71 1jt7 s ILE 56 Cb -0.11 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1jt7 s ILE 56 CO 0.04 -0.40 0.01 -0.75 0.00 0.00 0.00 174.94 173.84 1jt7 s LYS 57 N 1.01 3.80 -0.03 2.79 2.20 -0.44 -0.83 119.74 128.25 1jt7 s LYS 57 Ca 0.03 -0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 1jt7 s LYS 57 Cb -0.20 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.00 1jt7 s LYS 57 CO -0.06 0.23 1.59 0.45 -0.36 0.00 0.00 175.35 177.20 1jt7 s SER 58 N 0.43 6.70 0.22 1.43 0.15 0.76 0.26 113.70 123.65 1jt7 s SER 58 Ca -0.01 2.23 0.02 0.00 0.70 0.00 0.00 55.95 58.90 1jt7 s SER 58 Cb -0.13 -2.54 0.22 0.00 -1.71 0.00 0.00 66.02 61.85 1jt7 s SER 58 CO 0.02 -0.87 1.55 0.71 1.20 0.00 0.00 173.24 175.85 1jt7 h THR 59 N 5.30 1.36 0.01 6.45 1.35 -1.59 0.73 112.91 126.52 1jt7 h THR 59 Ca -0.39 -1.87 -0.27 0.00 -0.55 0.00 0.00 66.41 63.33 1jt7 h THR 59 Cb 1.18 1.89 0.02 0.00 -1.73 0.00 0.00 68.15 69.51 1jt7 h THR 59 CO 0.94 0.56 -1.05 -0.08 -0.25 0.00 0.00 175.52 175.65 1jt7 h GLU 60 N 0.27 0.66 0.00 4.72 4.57 -1.82 -3.38 114.58 119.60 1jt7 h GLU 60 Ca 0.00 -0.72 0.00 0.00 -1.18 0.00 0.00 59.36 57.46 1jt7 h GLU 60 Cb 1.08 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1jt7 h GLU 60 CO 0.09 1.31 -1.33 0.25 -1.18 0.00 0.00 179.01 178.15 1jt7 n THR 61 N -3.83 0.00 -0.14 0.32 -2.24 -1.24 -5.00 114.28 102.15 1jt7 n THR 61 Ca -0.11 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1jt7 n THR 61 Cb 0.89 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1jt7 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jt7 n GLY 62 N 1.62 2.10 3.80 3.38 0.00 0.25 -5.02 105.19 111.32 1jt7 n GLY 62 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1jt7 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jt7 s GLN 63 N -0.22 3.34 -0.08 1.61 -0.21 -1.26 -4.66 119.66 118.19 1jt7 s GLN 63 Ca 0.00 1.27 -0.02 0.00 0.02 0.00 0.00 55.36 56.63 1jt7 s GLN 63 Cb 0.00 -2.03 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 1jt7 s GLN 63 CO 0.00 -0.80 0.02 0.71 -2.12 0.00 0.00 175.29 173.09 1jt7 s TYR 64 N -2.33 3.19 0.29 0.91 1.51 0.15 -0.17 117.35 120.90 1jt7 s TYR 64 Ca 0.65 0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 56.63 1jt7 s TYR 64 Cb -0.17 -1.79 -0.10 0.00 -0.11 0.00 0.00 41.96 39.79 1jt7 s TYR 64 CO 0.34 0.49 1.35 -1.17 -1.11 0.00 0.00 175.55 175.46 1jt7 s LEU 65 N -1.01 4.41 0.10 -1.29 2.96 -0.01 -0.47 118.68 123.37 1jt7 s LEU 65 Ca 0.15 2.66 -0.09 0.00 -0.22 0.00 0.00 54.13 56.62 1jt7 s LEU 65 Cb -0.11 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1jt7 s LEU 65 CO 0.04 -0.60 0.22 0.00 -1.32 0.00 0.00 176.35 174.69 1jt7 s ALA 66 N -0.64 -0.28 -0.11 5.97 0.00 0.76 -4.36 121.76 123.09 1jt7 s ALA 66 Ca 0.53 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1jt7 s ALA 66 Cb -0.40 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1jt7 s ALA 66 CO 0.49 -0.53 -0.04 1.41 0.00 0.00 0.00 175.76 177.09 1jt7 s MET 67 N -3.86 1.12 0.98 0.00 1.75 -0.75 -0.06 119.30 118.48 1jt7 s MET 67 Ca 0.06 -0.19 -0.16 0.00 -1.25 0.00 0.00 55.69 54.15 1jt7 s MET 67 Cb 0.04 -1.49 0.20 0.00 2.84 0.00 0.00 34.83 36.42 1jt7 s MET 67 CO -0.10 -0.34 1.25 0.16 -0.65 0.00 0.00 175.02 175.34 1jt7 s ASP 68 N 1.80 2.91 0.32 1.11 1.47 -0.35 -4.81 116.67 119.11 1jt7 s ASP 68 Ca 0.04 0.47 0.23 0.00 1.18 0.00 0.00 52.55 54.47 1jt7 s ASP 68 Cb -0.13 -0.65 1.17 0.00 -0.34 0.00 0.00 42.92 42.96 1jt7 s ASP 68 CO -0.07 -2.88 1.71 0.71 0.68 0.00 0.00 175.17 175.32 1jt7 h THR 69 N -1.73 0.00 -0.01 2.11 1.35 -2.01 0.32 112.91 112.94 1jt7 h THR 69 Ca -0.45 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1jt7 h THR 69 Cb 1.27 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1jt7 h THR 69 CO 0.43 0.00 -0.44 0.47 -0.25 0.00 0.00 175.52 175.73 1jt7 n ASP 70 N -2.30 1.78 0.00 5.36 8.00 -1.26 -4.96 116.55 123.17 1jt7 n ASP 70 Ca -0.00 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.13 1jt7 n ASP 70 Cb 0.09 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1jt7 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jt7 n GLY 71 N 1.41 0.84 3.77 0.44 0.00 0.10 -4.65 105.19 107.10 1jt7 n GLY 71 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1jt7 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jt7 s LEU 72 N 0.00 4.45 -0.01 0.99 2.01 -1.26 -0.61 118.68 124.24 1jt7 s LEU 72 Ca 0.00 1.21 -0.22 0.00 0.01 0.00 0.00 54.13 55.13 1jt7 s LEU 72 Cb 0.00 -2.94 -0.05 0.00 0.01 0.00 0.00 46.19 43.21 1jt7 s LEU 72 CO 0.00 0.14 0.64 -0.69 1.01 0.00 0.00 176.35 177.45 1jt7 s VAL 73 N -0.40 4.91 0.19 -1.59 1.01 -1.26 -1.22 120.40 122.05 1jt7 s VAL 73 Ca 0.31 1.35 -0.12 0.00 0.00 0.00 0.00 61.98 63.52 1jt7 s VAL 73 Cb -0.19 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 1jt7 s VAL 73 CO 0.18 0.37 0.38 -0.72 0.00 0.00 0.00 175.10 175.31 1jt7 s TYR 74 N 0.07 0.30 -0.20 5.22 1.13 0.91 -4.48 117.35 120.29 1jt7 s TYR 74 Ca 0.33 -0.65 -0.17 0.00 -1.41 0.00 0.00 57.07 55.17 1jt7 s TYR 74 Cb -0.18 0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.73 1jt7 s TYR 74 CO 0.18 -0.83 0.46 0.20 -2.51 0.00 0.00 175.55 173.05 1jt7 s GLY 75 N -2.97 2.08 -0.05 5.49 0.00 -0.36 -0.17 107.32 111.34 1jt7 s GLY 75 Ca 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 1jt7 s GLY 75 CO 0.02 0.97 0.06 -0.45 0.00 0.00 0.00 173.10 173.70 1jt7 s SER 76 N 1.12 5.60 0.47 1.64 0.15 0.38 -4.79 113.70 118.27 1jt7 s SER 76 Ca 0.22 0.19 0.24 0.00 0.70 0.00 0.00 55.95 57.29 1jt7 s SER 76 Cb -0.15 -1.63 1.18 0.00 -1.71 0.00 0.00 66.02 63.71 1jt7 s SER 76 CO 0.09 0.33 1.96 1.56 1.20 0.00 0.00 173.24 178.38 1jt7 h GLN 77 N 4.62 0.00 -5.16 5.44 1.08 -1.91 0.46 115.11 119.63 1jt7 h GLN 77 Ca -0.51 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.34 1jt7 h GLN 77 Cb 1.19 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.45 1jt7 h GLN 77 CO 0.58 0.19 -0.74 0.95 -0.95 0.00 0.00 178.83 178.87 1jt7 s THR 78 N -4.03 1.16 -0.62 -0.54 -4.23 -1.26 -4.81 115.64 101.30 1jt7 s THR 78 Ca -0.02 -1.79 -0.23 0.00 -1.18 0.00 0.00 61.69 58.47 1jt7 s THR 78 Cb 0.12 -1.56 0.06 0.00 1.34 0.00 0.00 72.50 72.47 1jt7 s THR 78 CO 0.62 -0.56 0.95 -2.16 -0.54 0.00 0.00 174.62 172.94 1jt7 s PRO 79 N -3.01 3.18 0.01 3.99 0.04 -1.26 -4.77 135.00 133.17 1jt7 s PRO 79 Ca 0.10 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1jt7 s PRO 79 Cb -0.02 -4.17 -0.00 0.00 0.04 0.00 0.00 34.50 30.35 1jt7 s PRO 79 CO 0.01 -1.71 0.00 0.27 0.04 0.00 0.00 177.00 175.62 1jt7 n ASN 80 N 7.64 1.25 0.19 6.66 0.23 -1.26 -5.00 115.26 124.97 1jt7 n ASN 80 Ca -0.02 -1.03 0.17 0.00 -0.53 0.00 0.00 54.58 53.17 1jt7 n ASN 80 Cb 0.46 0.01 0.80 0.00 -2.08 0.00 0.00 39.78 38.98 1jt7 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1jt7 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.98 0.12 114.58 113.00 1jt7 h GLU 81 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jt7 h GLU 81 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jt7 h GLU 81 CO 0.01 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.48 1jt7 n GLU 82 N -3.92 0.09 0.00 1.06 1.02 -1.26 -3.55 120.64 114.08 1jt7 n GLU 82 Ca 0.02 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.29 1jt7 n GLU 82 Cb 0.33 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 1jt7 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jt7 s LEU 84 N -2.43 4.35 0.06 0.00 1.43 -1.23 -4.45 118.68 116.40 1jt7 s LEU 84 Ca 0.17 1.25 0.07 0.00 -1.03 0.00 0.00 54.13 54.59 1jt7 s LEU 84 Cb 0.17 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1jt7 s LEU 84 CO 0.56 -0.08 -0.19 -0.36 0.23 0.00 0.00 176.35 176.51 1jt7 s PHE 85 N 0.55 1.66 -0.37 0.29 0.40 -0.68 -1.28 117.98 118.55 1jt7 s PHE 85 Ca 0.38 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 56.12 1jt7 s PHE 85 Cb -0.18 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1jt7 s PHE 85 CO 0.19 0.11 0.57 -0.51 0.70 0.00 0.00 175.22 176.29 1jt7 s LEU 86 N -1.43 4.38 -0.39 -0.37 1.43 0.66 -0.95 118.68 122.01 1jt7 s LEU 86 Ca 0.05 -0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1jt7 s LEU 86 Cb -0.09 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.48 1jt7 s LEU 86 CO 0.02 -0.59 0.71 -0.70 0.23 0.00 0.00 176.35 176.03 1jt7 s GLU 87 N 2.57 3.60 0.16 1.70 2.12 -0.46 -1.52 118.70 126.86 1jt7 s GLU 87 Ca 0.21 0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.64 1jt7 s GLU 87 Cb -0.15 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.34 1jt7 s GLU 87 CO 0.15 -0.88 -0.11 1.03 -0.54 0.00 0.00 175.26 174.91 1jt7 s ARG 88 N 2.96 1.11 0.51 4.30 1.81 -0.41 -4.65 118.95 124.59 1jt7 s ARG 88 Ca 0.27 -1.47 -0.17 0.00 -1.72 0.00 0.00 55.73 52.64 1jt7 s ARG 88 Cb -0.14 -0.73 -0.08 0.00 -0.45 0.00 0.00 34.95 33.56 1jt7 s ARG 88 CO 0.18 0.10 1.00 -1.17 -0.68 0.00 0.00 175.30 174.72 1jt7 s LEU 89 N -3.17 3.67 -0.09 2.53 2.96 -0.48 -0.85 118.68 123.24 1jt7 s LEU 89 Ca 0.18 1.67 -0.06 0.00 -0.22 0.00 0.00 54.13 55.69 1jt7 s LEU 89 Cb 0.02 -4.52 0.03 0.00 0.50 0.00 0.00 46.19 42.22 1jt7 s LEU 89 CO 0.02 -0.68 0.22 -0.70 -1.32 0.00 0.00 176.35 173.88 1jt7 s GLU 90 N -3.87 0.21 -1.46 1.98 2.56 0.73 -4.80 118.70 114.05 1jt7 s GLU 90 Ca 0.61 0.41 -0.10 0.00 0.00 0.00 0.00 54.97 55.88 1jt7 s GLU 90 Cb -0.12 -0.03 0.05 0.00 2.00 0.00 0.00 34.13 36.04 1jt7 s GLU 90 CO 0.29 -0.11 0.87 0.39 -0.56 0.00 0.00 175.26 176.14 1jt7 n GLU 91 N 3.68 -5.56 -2.03 4.30 1.02 -1.26 -1.08 120.64 119.72 1jt7 n GLU 91 Ca -0.20 0.69 -0.14 0.00 -0.02 0.00 0.00 57.16 57.49 1jt7 n GLU 91 Cb 0.55 -5.59 -0.03 0.00 -0.02 0.00 0.00 31.44 26.36 1jt7 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jt7 n ASN 92 N -2.71 -4.07 0.00 1.62 4.13 -1.26 -4.59 115.26 108.38 1jt7 n ASN 92 Ca -0.01 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.48 1jt7 n ASN 92 Cb 0.56 -3.56 0.00 0.00 -1.54 0.00 0.00 39.78 35.23 1jt7 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1jt7 n HIS 93 N -2.89 -1.49 -2.11 3.10 -0.00 -0.24 -5.14 115.22 106.45 1jt7 n HIS 93 Ca -0.16 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.29 1jt7 n HIS 93 Cb 0.56 0.40 0.06 0.00 -0.00 0.00 0.00 29.99 31.01 1jt7 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1jt7 s TYR 94 N -1.80 3.12 -0.13 1.57 2.02 -0.35 -4.80 117.35 116.97 1jt7 s TYR 94 Ca 0.00 0.71 -0.05 0.00 -0.37 0.00 0.00 57.07 57.36 1jt7 s TYR 94 Cb 0.00 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 1jt7 s TYR 94 CO 0.00 -1.27 0.04 -0.80 -1.57 0.00 0.00 175.55 171.95 1jt7 s ASN 95 N -4.43 5.53 0.08 2.29 -0.87 0.51 -0.19 114.94 117.85 1jt7 s ASN 95 Ca 0.58 0.15 0.07 0.00 -1.57 0.00 0.00 52.86 52.09 1jt7 s ASN 95 Cb -0.11 -1.78 -0.03 0.00 -0.02 0.00 0.00 41.25 39.31 1jt7 s ASN 95 CO 0.47 0.29 -0.19 0.42 -2.57 0.00 0.00 177.10 175.53 1jt7 s THR 96 N -0.34 1.51 -0.26 1.60 -4.23 -0.03 -0.71 115.64 113.18 1jt7 s THR 96 Ca 0.08 -1.36 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 1jt7 s THR 96 Cb -0.12 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.41 1jt7 s THR 96 CO 0.02 -0.03 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.69 1jt7 s TYR 97 N -1.08 2.88 -0.14 3.99 2.02 -1.26 -1.29 117.35 122.48 1jt7 s TYR 97 Ca 0.04 -2.12 -0.11 0.00 -0.37 0.00 0.00 57.07 54.51 1jt7 s TYR 97 Cb -0.09 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1jt7 s TYR 97 CO 0.03 -0.84 0.22 0.42 -1.57 0.00 0.00 175.55 173.81 1jt7 s ILE 98 N 1.23 5.36 0.04 2.71 1.01 -0.58 -0.96 121.20 130.01 1jt7 s ILE 98 Ca -0.05 0.39 -0.32 0.00 0.00 0.00 0.00 60.65 60.67 1jt7 s ILE 98 Cb -0.19 -3.53 -0.11 0.00 0.01 0.00 0.00 42.46 38.64 1jt7 s ILE 98 CO -0.06 0.49 1.88 -0.24 0.00 0.00 0.00 174.94 177.01 1jt7 n SER 99 N 2.94 3.88 -0.00 3.58 2.88 0.38 -0.25 113.62 127.02 1jt7 n SER 99 Ca -0.15 0.96 -0.12 0.00 -1.33 0.00 0.00 58.87 58.22 1jt7 n SER 99 Cb 0.53 -1.49 -0.07 0.00 -0.75 0.00 0.00 64.21 62.43 1jt7 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jt7 h LYS 100 N 9.30 0.09 -0.92 -1.46 3.64 -1.51 0.85 116.57 126.56 1jt7 h LYS 100 Ca -0.48 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 58.99 1jt7 h LYS 100 Cb 1.24 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 1jt7 h LYS 100 CO 0.94 0.25 0.55 -0.22 -2.27 0.00 0.00 179.45 178.70 1jt7 h LYS 101 N -0.10 0.86 -0.55 1.90 3.64 -1.77 -2.29 116.57 118.27 1jt7 h LYS 101 Ca 0.02 -0.05 -0.25 0.00 -1.27 0.00 0.00 60.65 59.10 1jt7 h LYS 101 Cb 0.20 -0.19 -0.15 0.00 -0.41 0.00 0.00 32.23 31.68 1jt7 h LYS 101 CO -0.00 0.57 0.15 0.72 -2.27 0.00 0.00 179.45 178.62 1jt7 n HIS 102 N -4.69 1.72 -0.32 1.91 8.25 -1.17 -4.75 115.22 116.18 1jt7 n HIS 102 Ca 0.16 -1.53 0.08 0.00 -0.26 0.00 0.00 57.72 56.17 1jt7 n HIS 102 Cb 0.33 -0.61 0.24 0.00 1.12 0.00 0.00 29.99 31.07 1jt7 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jt7 h ALA 103 N 1.29 1.39 0.00 -1.41 0.00 -0.21 -0.47 119.26 119.84 1jt7 h ALA 103 Ca 0.30 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1jt7 h ALA 103 Cb 2.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1jt7 h ALA 103 CO 0.59 -0.01 0.00 1.05 0.00 0.00 0.00 179.25 180.88 1jt7 h GLU 104 N 0.73 0.00 -0.01 0.00 9.09 -1.85 -1.49 114.58 121.06 1jt7 h GLU 104 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 1jt7 h GLU 104 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1jt7 h GLU 104 CO -0.34 0.00 -0.33 1.63 0.05 0.00 0.00 179.01 180.02 1jt7 n LYS 105 N -2.91 0.78 -3.31 1.06 5.02 -0.19 -4.96 118.16 113.64 1jt7 n LYS 105 Ca -0.01 -0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 55.63 1jt7 n LYS 105 Cb 0.18 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.78 1jt7 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jt7 n ASN 106 N -0.68 -2.90 -4.60 4.39 4.13 -0.56 -4.97 115.26 110.07 1jt7 n ASN 106 Ca 0.11 -0.60 -0.38 0.00 1.68 0.00 0.00 54.58 55.39 1jt7 n ASN 106 Cb 0.36 -4.87 -0.11 0.00 -1.54 0.00 0.00 39.78 33.62 1jt7 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jt7 s TRP 107 N -3.34 3.23 0.31 3.10 0.52 -1.24 -4.55 118.94 116.97 1jt7 s TRP 107 Ca 0.09 0.13 0.09 0.00 0.02 0.00 0.00 56.10 56.43 1jt7 s TRP 107 Cb -0.01 -2.36 -0.05 0.00 -1.15 0.00 0.00 33.47 29.90 1jt7 s TRP 107 CO 0.69 -0.13 0.01 -0.06 0.02 0.00 0.00 176.95 177.48 1jt7 s PHE 108 N 1.64 2.60 0.04 -1.98 0.40 -1.26 -0.47 117.98 118.95 1jt7 s PHE 108 Ca 0.07 -0.35 -0.28 0.00 -0.60 0.00 0.00 56.93 55.77 1jt7 s PHE 108 Cb -0.16 -1.36 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 1jt7 s PHE 108 CO 0.10 0.53 0.90 -1.17 0.70 0.00 0.00 175.22 176.27 1jt7 s LEU 109 N -3.70 4.43 0.09 -0.37 2.96 -0.13 -4.52 118.68 117.42 1jt7 s LEU 109 Ca 0.34 1.61 -0.23 0.00 -0.22 0.00 0.00 54.13 55.63 1jt7 s LEU 109 Cb -0.03 -3.45 0.06 0.00 0.50 0.00 0.00 46.19 43.27 1jt7 s LEU 109 CO 0.20 -0.12 0.55 -0.83 -1.32 0.00 0.00 176.35 174.83 1jt7 s GLY 110 N 0.40 -0.49 -0.05 7.98 0.00 -1.26 -4.41 107.32 109.49 1jt7 s GLY 110 Ca 0.46 0.55 0.04 0.00 0.00 0.00 0.00 44.72 45.77 1jt7 s GLY 110 CO 0.27 0.24 -0.18 1.08 0.00 0.00 0.00 173.10 174.50 1jt7 s LEU 111 N -2.27 1.92 0.81 0.66 1.43 -0.57 -0.99 118.68 119.67 1jt7 s LEU 111 Ca -0.03 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1jt7 s LEU 111 Cb -0.00 -1.05 0.08 0.00 0.03 0.00 0.00 46.19 45.25 1jt7 s LEU 111 CO -0.06 0.15 1.10 -0.54 0.23 0.00 0.00 176.35 177.24 1jt7 s LYS 112 N 0.11 1.99 0.60 1.70 1.02 -0.06 -4.45 119.74 120.65 1jt7 s LYS 112 Ca -0.06 0.60 0.31 0.00 0.02 0.00 0.00 55.97 56.83 1jt7 s LYS 112 Cb -0.13 -1.91 1.79 0.00 -0.52 0.00 0.00 37.83 37.06 1jt7 s LYS 112 CO 0.03 -1.68 2.16 0.87 -0.92 0.00 0.00 175.35 175.82 1jt7 h LYS 113 N -1.13 0.00 -0.04 1.68 1.57 -1.88 0.14 116.57 116.91 1jt7 h LYS 113 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1jt7 h LYS 113 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1jt7 h LYS 113 CO 0.60 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 1jt7 n ASN 114 N -3.68 1.53 0.00 0.86 0.23 -1.26 -4.55 115.26 108.39 1jt7 n ASN 114 Ca -0.00 -1.53 0.00 0.00 -0.53 0.00 0.00 54.58 52.52 1jt7 n ASN 114 Cb 0.23 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1jt7 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jt7 n GLY 115 N 1.17 0.75 3.91 4.83 0.00 0.48 -4.98 105.19 111.34 1jt7 n GLY 115 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1jt7 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jt7 s SER 116 N -2.47 6.33 0.49 1.61 1.04 -1.26 0.27 113.70 119.71 1jt7 s SER 116 Ca 0.00 0.28 -0.23 0.00 0.48 0.00 0.00 55.95 56.49 1jt7 s SER 116 Cb 0.00 -1.95 -0.07 0.00 0.10 0.00 0.00 66.02 64.10 1jt7 s SER 116 CO 0.00 0.20 1.23 0.00 0.98 0.00 0.00 173.24 175.65 1jt7 s LYS 118 N -2.76 3.63 -0.01 0.00 1.02 -0.16 -4.82 119.74 116.64 1jt7 s LYS 118 Ca 0.66 0.26 -0.14 0.00 0.02 0.00 0.00 55.97 56.77 1jt7 s LYS 118 Cb -0.33 -2.42 -0.06 0.00 -0.52 0.00 0.00 37.83 34.51 1jt7 s LYS 118 CO 0.39 -0.09 0.38 1.03 -0.92 0.00 0.00 175.35 176.14 1jt7 s ARG 119 N -4.29 3.88 0.20 1.68 0.52 -1.26 -4.64 118.95 115.04 1jt7 s ARG 119 Ca 0.48 0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 55.92 1jt7 s ARG 119 Cb -0.10 -3.22 0.22 0.00 0.52 0.00 0.00 34.95 32.37 1jt7 s ARG 119 CO 0.38 0.69 1.30 0.41 0.02 0.00 0.00 175.30 178.10 1jt7 n GLY 120 N 1.86 -1.69 0.22 -3.53 0.00 0.22 -0.06 105.19 102.22 1jt7 n GLY 120 Ca -0.14 0.93 0.15 0.00 0.00 0.00 0.00 46.02 46.96 1jt7 n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jt7 h PRO 121 N 0.00 0.00 -0.61 1.61 0.10 -1.85 -1.72 132.00 129.53 1jt7 h PRO 121 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.40 1jt7 h PRO 121 Cb 0.51 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.61 1jt7 h PRO 121 CO -0.83 0.00 0.00 0.54 0.10 0.00 0.00 178.00 177.81 1jt7 n ARG 122 N -2.60 2.63 -4.16 1.05 5.12 0.91 -4.93 116.66 114.68 1jt7 n ARG 122 Ca -0.01 -2.50 -0.24 0.00 -1.93 0.00 0.00 57.85 53.17 1jt7 n ARG 122 Cb 0.11 -1.55 -0.06 0.00 -1.16 0.00 0.00 32.46 29.80 1jt7 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jt7 s THR 123 N -1.19 4.11 -0.08 0.55 -4.23 -0.65 -4.91 115.64 109.23 1jt7 s THR 123 Ca 0.45 -1.46 -0.31 0.00 -1.18 0.00 0.00 61.69 59.20 1jt7 s THR 123 Cb 0.25 -3.17 0.12 0.00 1.34 0.00 0.00 72.50 71.03 1jt7 s THR 123 CO 0.33 -0.27 1.01 -1.38 -0.54 0.00 0.00 174.62 173.78 1jt7 s HIS 124 N -2.03 -0.27 0.29 3.99 -3.43 -1.26 -4.82 115.29 107.76 1jt7 s HIS 124 Ca 0.31 0.19 -0.30 0.00 -0.80 0.00 0.00 55.06 54.46 1jt7 s HIS 124 Cb -0.08 0.52 -0.13 0.00 -1.43 0.00 0.00 32.58 31.47 1jt7 s HIS 124 CO 0.22 -0.40 1.40 0.66 -2.00 0.00 0.00 174.74 174.62 1jt7 n TYR 125 N -0.13 2.37 0.00 0.38 4.01 -1.26 -2.33 117.16 120.20 1jt7 n TYR 125 Ca -0.05 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 1jt7 n TYR 125 Cb 0.60 -2.47 0.00 0.00 -0.31 0.00 0.00 39.34 37.16 1jt7 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jt7 n GLY 126 N 1.58 2.83 3.83 2.72 0.00 -1.26 -5.08 105.19 109.82 1jt7 n GLY 126 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1jt7 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jt7 s GLN 127 N -0.63 4.13 0.34 1.61 -0.21 -0.99 -4.96 119.66 118.96 1jt7 s GLN 127 Ca 0.00 0.93 0.18 0.00 0.02 0.00 0.00 55.36 56.49 1jt7 s GLN 127 Cb 0.00 -2.28 0.43 0.00 1.00 0.00 0.00 33.01 32.16 1jt7 s GLN 127 CO 0.00 0.05 1.61 0.87 -2.12 0.00 0.00 175.29 175.70 1jt7 h LYS 128 N 2.05 0.00 0.00 2.91 1.79 -1.97 -3.24 116.57 118.11 1jt7 h LYS 128 Ca -0.49 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 1jt7 h LYS 128 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1jt7 h LYS 128 CO 0.63 0.40 -0.05 0.00 -1.08 0.00 0.00 179.45 179.35 1jt7 h ALA 129 N 1.60 1.42 -0.01 3.86 0.00 -1.93 -2.60 119.26 121.59 1jt7 h ALA 129 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jt7 h ALA 129 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jt7 h ALA 129 CO 0.05 0.06 -0.12 0.44 0.00 0.00 0.00 179.25 179.68 1jt7 n ILE 130 N -3.75 0.00 -3.05 0.00 -5.35 -1.22 -1.51 119.36 104.48 1jt7 n ILE 130 Ca -0.02 -0.21 -0.41 0.00 -0.27 0.00 0.00 62.75 61.83 1jt7 n ILE 130 Cb 0.15 0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.50 1jt7 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jt7 s LEU 131 N -2.22 4.12 0.21 7.28 1.43 -0.98 -4.40 118.68 124.12 1jt7 s LEU 131 Ca 0.31 0.52 0.11 0.00 -1.03 0.00 0.00 54.13 54.04 1jt7 s LEU 131 Cb 0.20 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 1jt7 s LEU 131 CO 0.42 -0.53 -0.21 -0.36 0.23 0.00 0.00 176.35 175.90 1jt7 s PHE 132 N 2.74 2.13 -0.17 0.29 0.40 0.11 -3.34 117.98 120.15 1jt7 s PHE 132 Ca 0.28 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1jt7 s PHE 132 Cb -0.15 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.39 1jt7 s PHE 132 CO 0.12 0.50 -0.17 -0.51 0.70 0.00 0.00 175.22 175.86 1jt7 s LEU 133 N -2.94 1.96 -0.19 -0.37 1.43 -0.22 -0.36 118.68 118.00 1jt7 s LEU 133 Ca 0.22 -0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 1jt7 s LEU 133 Cb -0.06 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 1jt7 s LEU 133 CO 0.10 -0.03 0.83 -2.16 0.23 0.00 0.00 176.35 175.32 1jt7 s PRO 134 N 1.37 4.27 -0.02 1.29 0.04 -1.26 -1.13 135.00 139.55 1jt7 s PRO 134 Ca 0.05 0.99 0.08 0.00 0.04 0.00 0.00 61.00 62.16 1jt7 s PRO 134 Cb -0.13 -3.59 -0.02 0.00 0.04 0.00 0.00 34.50 30.80 1jt7 s PRO 134 CO -0.12 -0.37 -0.26 -0.51 0.04 0.00 0.00 177.00 175.78 1jt7 s LEU 135 N 2.32 2.06 0.62 -3.56 1.43 -0.01 -4.92 118.68 116.61 1jt7 s LEU 135 Ca 0.37 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 1jt7 s LEU 135 Cb -0.16 -1.34 -0.06 0.00 0.03 0.00 0.00 46.19 44.66 1jt7 s LEU 135 CO 0.11 0.32 0.73 -0.81 0.23 0.00 0.00 176.35 176.92 1jt7 n PRO 136 N 2.40 0.62 0.00 1.29 -0.04 -1.26 0.37 135.00 138.38 1jt7 n PRO 136 Ca -0.16 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 1jt7 n PRO 136 Cb 0.51 -1.94 0.09 0.00 -0.04 0.00 0.00 33.50 32.12 1jt7 n PRO 136 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74