#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 0.81 -2.65 -1.40 7.35 -1.26 -5.01 117.46 115.29 1jt7 n PHE 1 Ca 0.00 -1.52 -0.43 0.00 -0.76 0.00 0.00 57.45 54.74 1jt7 n PHE 1 Cb 0.00 -0.24 -0.02 0.00 0.35 0.00 0.00 39.48 39.56 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 -3.11 6.93 0.10 -2.13 0.01 -1.26 -5.01 114.94 110.47 1jt7 s ASN 2 Ca 0.39 1.06 0.02 0.00 -0.71 0.00 0.00 52.86 53.62 1jt7 s ASN 2 Cb 0.38 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1jt7 s ASN 2 CO -0.06 -0.86 0.16 -0.76 -1.51 0.00 0.00 177.10 174.07 1jt7 s LEU 3 N 3.60 4.05 0.39 0.60 1.43 -1.26 -0.91 118.68 126.57 1jt7 s LEU 3 Ca 0.45 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.52 1jt7 s LEU 3 Cb -0.12 -2.68 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 1jt7 s LEU 3 CO 0.15 0.13 0.75 -2.16 0.23 0.00 0.00 176.35 175.44 1jt7 s PRO 4 N -2.69 3.78 0.71 1.29 0.04 -1.26 -4.62 135.00 132.26 1jt7 s PRO 4 Ca 0.32 0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 1jt7 s PRO 4 Cb -0.12 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.02 1jt7 s PRO 4 CO 0.25 0.00 1.07 -1.25 0.04 0.00 0.00 177.00 177.12 1jt7 s PRO 5 N -3.75 2.82 0.00 0.56 0.04 -1.26 -4.98 135.00 128.44 1jt7 s PRO 5 Ca 0.51 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1jt7 s PRO 5 Cb -0.10 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1jt7 s PRO 5 CO 0.30 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1jt7 n GLY 6 N -2.39 2.80 3.17 0.56 0.00 -1.26 -5.11 105.19 102.96 1jt7 n GLY 6 Ca 0.07 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 0.80 0.00 1.61 2.20 -1.26 -5.06 114.94 113.23 1jt7 s ASN 7 Ca 0.00 -1.11 0.23 0.00 -0.94 0.00 0.00 52.86 51.04 1jt7 s ASN 7 Cb 0.00 0.18 0.60 0.00 -2.00 0.00 0.00 41.25 40.02 1jt7 s ASN 7 CO 0.00 -0.59 1.51 -1.22 -2.94 0.00 0.00 177.10 173.86 1jt7 n TYR 8 N -0.08 0.86 0.01 1.54 4.01 -1.26 -4.63 117.16 117.61 1jt7 n TYR 8 Ca -0.09 -0.43 -0.10 0.00 -0.16 0.00 0.00 57.90 57.12 1jt7 n TYR 8 Cb 0.62 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.61 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 4.36 -0.10 -6.18 -0.72 1.79 -1.97 -3.43 116.57 110.31 1jt7 h LYS 9 Ca 0.00 0.01 -0.50 0.00 -2.18 0.00 0.00 60.65 57.98 1jt7 h LYS 9 Cb 0.99 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.63 1jt7 h LYS 9 CO 0.00 -0.07 -0.49 0.15 -1.08 0.00 0.00 179.45 177.96 1jt7 s LYS 10 N -6.17 3.17 0.91 3.15 -0.14 -1.26 -5.04 119.74 114.35 1jt7 s LYS 10 Ca -0.14 -0.87 -0.11 0.00 -1.36 0.00 0.00 55.97 53.49 1jt7 s LYS 10 Cb 0.09 -2.74 0.14 0.00 -1.68 0.00 0.00 37.83 33.64 1jt7 s LYS 10 CO 0.67 0.44 1.10 -1.25 -0.76 0.00 0.00 175.35 175.55 1jt7 s PRO 11 N -3.72 1.15 0.15 -1.68 0.04 -1.26 -4.69 135.00 124.98 1jt7 s PRO 11 Ca 0.33 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 1jt7 s PRO 11 Cb -0.09 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 1jt7 s PRO 11 CO 0.27 -2.40 0.15 0.15 0.04 0.00 0.00 177.00 175.20 1jt7 s LYS 12 N -4.78 1.04 0.15 4.56 1.02 0.82 -2.27 119.74 120.29 1jt7 s LYS 12 Ca 0.64 -1.37 0.04 0.00 0.02 0.00 0.00 55.97 55.31 1jt7 s LYS 12 Cb -0.20 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1jt7 s LYS 12 CO 0.58 -0.34 0.17 -0.51 -0.92 0.00 0.00 175.35 174.34 1jt7 s LEU 13 N -3.03 3.95 -0.35 3.17 1.43 0.13 -0.42 118.68 123.56 1jt7 s LEU 13 Ca 0.23 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1jt7 s LEU 13 Cb 0.06 -2.55 0.10 0.00 0.03 0.00 0.00 46.19 43.83 1jt7 s LEU 13 CO 0.02 0.07 0.08 -0.76 0.23 0.00 0.00 176.35 175.99 1jt7 s LEU 14 N -3.08 4.83 -0.19 1.79 1.43 -1.26 -0.67 118.68 121.52 1jt7 s LEU 14 Ca 0.32 -2.16 -0.19 0.00 -1.03 0.00 0.00 54.13 51.06 1jt7 s LEU 14 Cb -0.10 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1jt7 s LEU 14 CO 0.25 -0.40 0.55 -0.47 0.23 0.00 0.00 176.35 176.51 1jt7 s TYR 15 N 0.90 3.38 -0.33 0.29 5.04 -0.16 -0.56 117.35 125.92 1jt7 s TYR 15 Ca 0.11 0.83 -0.11 0.00 -2.44 0.00 0.00 57.07 55.45 1jt7 s TYR 15 Cb -0.20 -2.70 -0.01 0.00 0.35 0.00 0.00 41.96 39.40 1jt7 s TYR 15 CO -0.07 -0.11 0.20 0.00 -1.34 0.00 0.00 175.55 174.23 1jt7 h SER 17 N 8.43 0.00 -0.51 0.00 4.64 -1.84 0.26 113.55 124.53 1jt7 h SER 17 Ca -0.31 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 1jt7 h SER 17 Cb 1.15 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.14 1jt7 h SER 17 CO 0.63 0.11 -0.52 -1.13 -0.87 0.00 0.00 176.83 175.05 1jt7 h ASN 18 N 0.00 -1.77 -0.00 4.97 -1.24 -1.82 -3.12 115.58 112.60 1jt7 h ASN 18 Ca -0.00 0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.26 1jt7 h ASN 18 Cb 0.34 0.75 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1jt7 h ASN 18 CO 0.01 -0.37 -0.07 0.61 -1.29 0.00 0.00 177.43 176.33 1jt7 n GLY 19 N -1.38 -0.38 1.51 1.57 0.00 -1.23 -4.72 105.19 100.56 1jt7 n GLY 19 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 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 0.57 0.28 3.40 -0.02 0.00 0.83 -4.99 105.19 105.26 1jt7 n GLY 20 Ca 0.02 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.07 2.28 -0.19 1.61 3.76 -0.62 -4.57 115.29 114.48 1jt7 s HIS 21 Ca 0.00 -0.37 -0.12 0.00 -0.15 0.00 0.00 55.06 54.42 1jt7 s HIS 21 Cb -0.00 -1.18 -0.05 0.00 1.11 0.00 0.00 32.58 32.46 1jt7 s HIS 21 CO 0.15 0.41 0.20 -0.06 -0.85 0.00 0.00 174.74 174.59 1jt7 s PHE 22 N -1.39 3.42 0.39 1.40 0.08 0.20 0.72 117.98 122.80 1jt7 s PHE 22 Ca 0.17 0.43 -0.26 0.00 0.12 0.00 0.00 56.93 57.39 1jt7 s PHE 22 Cb -0.09 -2.24 -0.11 0.00 -0.57 0.00 0.00 43.02 40.01 1jt7 s PHE 22 CO 0.08 0.25 1.27 -0.11 -0.10 0.00 0.00 175.22 176.61 1jt7 n LEU 23 N 3.61 3.81 -3.88 -0.37 7.94 0.28 -1.70 117.00 126.69 1jt7 n LEU 23 Ca -0.14 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.78 1jt7 n LEU 23 Cb 0.52 -1.49 -0.14 0.00 0.53 0.00 0.00 43.42 42.84 1jt7 n LEU 23 CO 0.38 -0.62 -0.36 -0.60 -1.11 0.00 0.00 177.39 175.08 1jt7 s ARG 24 N -2.08 0.02 -0.27 1.96 3.52 0.13 -4.40 118.95 117.83 1jt7 s ARG 24 Ca 0.59 -0.02 0.02 0.00 -0.13 0.00 0.00 55.73 56.19 1jt7 s ARG 24 Cb -0.53 -0.01 0.07 0.00 -1.56 0.00 0.00 34.95 32.92 1jt7 s ARG 24 CO 0.60 0.00 -0.04 0.42 -0.81 0.00 0.00 175.30 175.47 1jt7 s ILE 25 N -0.04 1.86 0.68 4.11 1.01 -0.95 -1.05 121.20 126.82 1jt7 s ILE 25 Ca -0.00 -1.62 -0.11 0.00 0.00 0.00 0.00 60.65 58.92 1jt7 s ILE 25 Cb -0.00 -2.14 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 1jt7 s ILE 25 CO -0.00 -0.22 1.06 -0.76 0.00 0.00 0.00 174.94 175.01 1jt7 s LEU 26 N 1.21 3.18 0.44 2.97 1.43 0.23 -4.82 118.68 123.31 1jt7 s LEU 26 Ca -0.02 1.63 0.16 0.00 -1.03 0.00 0.00 54.13 54.86 1jt7 s LEU 26 Cb -0.19 -4.50 1.08 0.00 0.03 0.00 0.00 46.19 42.61 1jt7 s LEU 26 CO -0.08 -1.37 1.95 -0.65 0.23 0.00 0.00 176.35 176.43 1jt7 h PRO 27 N -0.56 0.36 0.00 1.29 0.11 -1.99 0.25 132.00 131.47 1jt7 h PRO 27 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jt7 h PRO 27 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jt7 h PRO 27 CO 0.57 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 1jt7 n ASP 28 N -4.46 0.00 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.67 1jt7 n ASP 28 Ca 0.12 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 1jt7 n ASP 28 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.80 0.68 3.75 6.12 0.00 0.89 -4.98 105.19 112.45 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 -2.34 2.87 -0.13 2.61 2.01 -1.25 -1.05 115.64 118.36 1jt7 s THR 30 Ca 0.00 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 1jt7 s THR 30 Cb 0.00 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1jt7 s THR 30 CO 0.00 0.14 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.27 1jt7 s VAL 31 N -0.28 3.25 0.00 3.82 1.01 -1.26 -0.60 120.40 126.34 1jt7 s VAL 31 Ca 0.55 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1jt7 s VAL 31 Cb -0.39 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1jt7 s VAL 31 CO 0.44 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 175.16 1jt7 n ASP 32 N 3.43 0.00 -4.08 3.32 5.75 -0.22 -4.39 116.55 120.37 1jt7 n ASP 32 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.46 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 0.00 0.56 0.03 6.12 0.00 0.10 0.21 107.32 114.34 1jt7 s GLY 33 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1jt7 s GLY 33 CO 0.00 -0.81 -0.06 -1.08 0.00 0.00 0.00 173.10 171.15 1jt7 s THR 34 N -1.27 0.44 -0.94 0.90 -1.32 -0.69 -4.77 115.64 107.99 1jt7 s THR 34 Ca -0.08 -0.90 0.25 0.00 -1.21 0.00 0.00 61.69 59.75 1jt7 s THR 34 Cb -0.09 -0.50 0.01 0.00 -1.51 0.00 0.00 72.50 70.41 1jt7 s THR 34 CO 0.01 -0.32 1.40 0.54 -2.21 0.00 0.00 174.62 174.04 1jt7 n ARG 35 N 1.74 0.04 -2.44 7.08 1.74 -1.26 -0.63 116.66 122.93 1jt7 n ARG 35 Ca -0.21 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.47 1jt7 n ARG 35 Cb 0.55 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 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 -3.18 6.07 0.63 0.55 2.15 -1.26 -4.85 116.67 116.78 1jt7 s ASP 36 Ca 0.10 -0.04 0.42 0.00 0.43 0.00 0.00 52.55 53.45 1jt7 s ASP 36 Cb 0.17 -2.55 2.15 0.00 -0.30 0.00 0.00 42.92 42.39 1jt7 s ASP 36 CO 0.70 -1.82 2.26 -0.09 -0.17 0.00 0.00 175.17 176.05 1jt7 h ARG 37 N 10.93 0.00 0.00 4.34 9.65 -2.01 -1.61 114.38 135.68 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 1.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1jt7 h ARG 37 CO 1.23 0.00 -0.14 -1.13 2.80 0.00 0.00 179.97 182.73 1jt7 n SER 38 N -3.05 0.24 -4.57 -3.80 3.41 -1.26 -4.91 113.62 99.67 1jt7 n SER 38 Ca -0.02 0.33 -0.44 0.00 -0.26 0.00 0.00 58.87 58.48 1jt7 n SER 38 Cb 0.13 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.62 1.00 -0.55 4.04 -0.08 -0.61 -4.89 116.55 113.84 1jt7 n ASP 39 Ca 0.06 1.12 0.12 0.00 -1.51 0.00 0.00 54.79 54.59 1jt7 n ASP 39 Cb 0.36 -1.27 0.42 0.00 2.34 0.00 0.00 41.12 42.96 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 0.60 1.74 -0.44 -0.67 1.13 -1.26 -4.17 117.38 114.32 1jt7 n GLN 40 Ca 0.10 -1.10 0.07 0.00 -1.94 0.00 0.00 57.00 54.13 1jt7 n GLN 40 Cb 0.34 -1.43 0.16 0.00 0.11 0.00 0.00 30.24 29.41 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 0.32 0.00 0.09 1.08 8.25 -1.26 -4.64 115.22 119.06 1jt7 n HIS 41 Ca 0.17 -1.15 0.07 0.00 -0.26 0.00 0.00 57.72 56.55 1jt7 n HIS 41 Cb 0.35 -0.19 0.13 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.08 0.60 -3.60 1.59 -5.35 -1.26 -2.23 119.36 108.03 1jt7 n ILE 42 Ca 0.16 -0.80 -0.36 0.00 -0.27 0.00 0.00 62.75 61.48 1jt7 n ILE 42 Cb 0.70 0.81 -0.07 0.00 -1.74 0.00 0.00 39.64 39.33 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 -1.03 4.20 0.01 6.28 1.11 -1.26 -4.37 119.66 124.60 1jt7 s GLN 43 Ca 0.22 0.01 0.04 0.00 0.01 0.00 0.00 55.36 55.65 1jt7 s GLN 43 Cb 0.13 -3.41 -0.01 0.00 -1.01 0.00 0.00 33.01 28.70 1jt7 s GLN 43 CO 0.18 0.28 -0.13 -0.06 0.01 0.00 0.00 175.29 175.57 1jt7 s PHE 44 N 0.35 1.16 -0.38 0.91 0.08 0.44 -1.50 117.98 119.04 1jt7 s PHE 44 Ca 0.14 -0.28 -0.13 0.00 0.12 0.00 0.00 56.93 56.79 1jt7 s PHE 44 Cb -0.12 -0.72 0.02 0.00 -0.57 0.00 0.00 43.02 41.62 1jt7 s PHE 44 CO 0.03 0.00 0.25 -1.14 -0.10 0.00 0.00 175.22 174.26 1jt7 s GLN 45 N -0.68 3.03 0.25 0.44 2.00 0.19 -0.13 119.66 124.76 1jt7 s GLN 45 Ca 0.03 -0.97 -0.10 0.00 -2.00 0.00 0.00 55.36 52.33 1jt7 s GLN 45 Cb -0.06 -3.86 -0.07 0.00 0.80 0.00 0.00 33.01 29.82 1jt7 s GLN 45 CO 0.00 -0.67 0.58 -0.51 -0.50 0.00 0.00 175.29 174.20 1jt7 s LEU 46 N 1.64 4.13 -0.02 3.68 1.02 -1.26 -1.50 118.68 126.37 1jt7 s LEU 46 Ca 0.04 0.96 -0.11 0.00 0.02 0.00 0.00 54.13 55.04 1jt7 s LEU 46 Cb -0.19 -3.74 0.02 0.00 0.02 0.00 0.00 46.19 42.30 1jt7 s LEU 46 CO 0.09 -0.11 0.24 -0.94 0.02 0.00 0.00 176.35 175.64 1jt7 s SER 47 N -2.44 -0.12 -0.05 2.29 1.04 -0.79 -4.82 113.70 108.81 1jt7 s SER 47 Ca 0.48 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.88 1jt7 s SER 47 Cb -0.11 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1jt7 s SER 47 CO 0.22 -0.37 0.20 0.00 0.98 0.00 0.00 173.24 174.27 1jt7 s ALA 48 N -1.16 3.88 0.00 5.32 0.00 -1.26 -0.60 121.76 127.94 1jt7 s ALA 48 Ca -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1jt7 s ALA 48 Cb -0.06 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1jt7 s ALA 48 CO 0.03 0.65 0.00 -1.91 0.00 0.00 0.00 175.76 174.53 1jt7 n GLU 49 N 1.46 0.00 -3.08 0.00 4.07 -0.19 -4.95 120.64 117.95 1jt7 n GLU 49 Ca -0.15 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.76 1jt7 n GLU 49 Cb 0.54 -0.07 0.03 0.00 -0.06 0.00 0.00 31.44 31.88 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 5.31 0.16 4.31 0.01 -1.26 -4.96 113.70 116.27 1jt7 s SER 50 Ca 0.00 -0.68 -0.31 0.00 1.31 0.00 0.00 55.95 56.26 1jt7 s SER 50 Cb 0.00 -0.12 -0.11 0.00 0.21 0.00 0.00 66.02 66.00 1jt7 s SER 50 CO 0.00 -1.07 1.73 -0.69 0.41 0.00 0.00 173.24 173.62 1jt7 s VAL 51 N -2.53 2.41 0.00 3.43 1.01 -1.26 -1.40 120.40 122.05 1jt7 s VAL 51 Ca 0.57 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1jt7 s VAL 51 Cb -0.07 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1jt7 s VAL 51 CO 0.35 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1jt7 n GLY 52 N 4.04 0.86 3.42 4.51 0.00 -1.26 -5.02 105.19 111.73 1jt7 n GLY 52 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.14 3.38 0.11 1.61 2.02 -0.50 -1.27 118.70 123.91 1jt7 s GLU 53 Ca 0.00 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.37 1jt7 s GLU 53 Cb 0.00 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 1jt7 s GLU 53 CO 0.00 0.27 -0.03 0.14 0.02 0.00 0.00 175.26 175.67 1jt7 s VAL 54 N 0.22 0.54 -0.02 2.63 -7.23 -0.09 -1.02 120.40 115.43 1jt7 s VAL 54 Ca -0.06 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 1jt7 s VAL 54 Cb -0.15 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1jt7 s VAL 54 CO 0.04 -0.74 -0.07 -0.31 -0.31 0.00 0.00 175.10 173.71 1jt7 s TYR 55 N -3.73 2.89 -0.30 2.82 2.02 0.24 -1.42 117.35 119.88 1jt7 s TYR 55 Ca 0.16 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 1jt7 s TYR 55 Cb 0.06 -1.64 0.08 0.00 -0.40 0.00 0.00 41.96 40.06 1jt7 s TYR 55 CO -0.03 0.35 -0.04 0.42 -1.57 0.00 0.00 175.55 174.69 1jt7 s ILE 56 N -0.93 2.28 -0.17 2.71 1.01 -1.26 -1.89 121.20 122.95 1jt7 s ILE 56 Ca 0.15 -1.90 -0.04 0.00 0.00 0.00 0.00 60.65 58.87 1jt7 s ILE 56 Cb -0.11 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1jt7 s ILE 56 CO 0.05 -0.26 -0.03 -0.75 0.00 0.00 0.00 174.94 173.95 1jt7 s LYS 57 N 1.04 3.61 0.05 2.79 2.20 -0.57 -0.48 119.74 128.39 1jt7 s LYS 57 Ca -0.01 -0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 54.75 1jt7 s LYS 57 Cb -0.20 -2.94 -0.08 0.00 -1.51 0.00 0.00 37.83 33.10 1jt7 s LYS 57 CO -0.06 0.14 1.74 0.45 -0.36 0.00 0.00 175.35 177.26 1jt7 s SER 58 N 0.62 6.56 0.21 1.43 0.15 0.90 0.54 113.70 124.11 1jt7 s SER 58 Ca -0.02 2.52 0.03 0.00 0.70 0.00 0.00 55.95 59.18 1jt7 s SER 58 Cb -0.14 -2.55 0.14 0.00 -1.71 0.00 0.00 66.02 61.76 1jt7 s SER 58 CO 0.02 -0.94 1.49 0.71 1.20 0.00 0.00 173.24 175.72 1jt7 h THR 59 N 5.06 1.42 0.01 6.45 1.35 -1.59 0.18 112.91 125.78 1jt7 h THR 59 Ca -0.44 -2.21 -0.26 0.00 -0.55 0.00 0.00 66.41 62.95 1jt7 h THR 59 Cb 1.21 2.17 0.02 0.00 -1.73 0.00 0.00 68.15 69.81 1jt7 h THR 59 CO 0.94 0.65 -1.04 -0.08 -0.25 0.00 0.00 175.52 175.74 1jt7 h GLU 60 N 0.16 0.61 0.00 4.72 4.57 -1.82 -3.38 114.58 119.44 1jt7 h GLU 60 Ca -0.02 -0.68 -0.00 0.00 -1.18 0.00 0.00 59.36 57.48 1jt7 h GLU 60 Cb 1.26 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 30.05 1jt7 h GLU 60 CO 0.11 1.27 -1.59 0.25 -1.18 0.00 0.00 179.01 177.88 1jt7 n THR 61 N -3.81 0.01 -0.35 0.32 -2.24 -1.24 -5.00 114.28 101.97 1jt7 n THR 61 Ca -0.10 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1jt7 n THR 61 Cb 0.88 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.78 1.52 3.79 3.38 0.00 0.05 -5.02 105.19 110.69 1jt7 n GLY 62 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.29 3.93 -0.09 1.61 -0.21 -1.26 -4.69 119.66 118.67 1jt7 s GLN 63 Ca 0.00 1.44 -0.05 0.00 0.02 0.00 0.00 55.36 56.78 1jt7 s GLN 63 Cb 0.00 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1jt7 s GLN 63 CO 0.00 -0.33 0.11 0.71 -2.12 0.00 0.00 175.29 173.65 1jt7 s TYR 64 N -1.83 3.46 0.26 0.91 1.51 -0.12 -0.07 117.35 121.47 1jt7 s TYR 64 Ca 0.63 0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 56.80 1jt7 s TYR 64 Cb -0.19 -1.87 -0.10 0.00 -0.11 0.00 0.00 41.96 39.69 1jt7 s TYR 64 CO 0.24 0.65 1.39 -1.17 -1.11 0.00 0.00 175.55 175.54 1jt7 s LEU 65 N -1.17 4.40 0.07 -1.29 2.96 0.37 -0.41 118.68 123.62 1jt7 s LEU 65 Ca 0.17 2.63 -0.08 0.00 -0.22 0.00 0.00 54.13 56.63 1jt7 s LEU 65 Cb -0.12 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1jt7 s LEU 65 CO 0.06 -0.63 0.17 0.00 -1.32 0.00 0.00 176.35 174.62 1jt7 s ALA 66 N -0.27 -0.17 -0.11 5.97 0.00 0.43 -4.37 121.76 123.25 1jt7 s ALA 66 Ca 0.56 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1jt7 s ALA 66 Cb -0.40 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1jt7 s ALA 66 CO 0.45 -0.46 -0.03 1.41 0.00 0.00 0.00 175.76 177.13 1jt7 s MET 67 N -3.58 1.05 1.01 0.00 1.75 -0.76 -0.34 119.30 118.44 1jt7 s MET 67 Ca 0.03 -0.13 -0.16 0.00 -1.25 0.00 0.00 55.69 54.18 1jt7 s MET 67 Cb 0.04 -1.40 0.21 0.00 2.84 0.00 0.00 34.83 36.52 1jt7 s MET 67 CO -0.09 -0.33 1.23 0.16 -0.65 0.00 0.00 175.02 175.34 1jt7 s ASP 68 N 1.83 2.63 0.34 1.11 1.47 -0.02 -4.83 116.67 119.20 1jt7 s ASP 68 Ca 0.04 0.50 0.24 0.00 1.18 0.00 0.00 52.55 54.52 1jt7 s ASP 68 Cb -0.13 -0.71 1.25 0.00 -0.34 0.00 0.00 42.92 42.99 1jt7 s ASP 68 CO -0.07 -3.05 1.73 0.71 0.68 0.00 0.00 175.17 175.17 1jt7 h THR 69 N -1.85 0.00 -0.01 2.11 1.35 -2.01 0.92 112.91 113.42 1jt7 h THR 69 Ca -0.46 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1jt7 h THR 69 Cb 1.27 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1jt7 h THR 69 CO 0.42 0.00 -0.43 0.47 -0.25 0.00 0.00 175.52 175.73 1jt7 n ASP 70 N -2.34 1.82 0.00 5.36 8.00 -1.26 -4.96 116.55 123.17 1jt7 n ASP 70 Ca -0.01 -1.38 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1jt7 n ASP 70 Cb 0.07 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.40 0.79 3.75 0.44 0.00 0.32 -4.67 105.19 107.22 1jt7 n GLY 71 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 4.43 0.03 0.99 1.02 -1.26 -0.70 118.68 123.19 1jt7 s LEU 72 Ca 0.00 1.33 -0.22 0.00 0.02 0.00 0.00 54.13 55.27 1jt7 s LEU 72 Cb 0.00 -3.11 -0.06 0.00 0.02 0.00 0.00 46.19 43.04 1jt7 s LEU 72 CO 0.00 0.04 0.64 -0.69 0.02 0.00 0.00 176.35 176.36 1jt7 s VAL 73 N -0.07 4.81 0.19 -1.59 1.01 -1.26 -0.84 120.40 122.65 1jt7 s VAL 73 Ca 0.36 1.36 -0.15 0.00 0.00 0.00 0.00 61.98 63.55 1jt7 s VAL 73 Cb -0.20 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1jt7 s VAL 73 CO 0.21 0.43 0.45 -0.72 0.00 0.00 0.00 175.10 175.46 1jt7 s TYR 74 N -0.33 0.06 -0.21 5.22 1.13 0.54 -4.50 117.35 119.27 1jt7 s TYR 74 Ca 0.33 -0.41 -0.19 0.00 -1.41 0.00 0.00 57.07 55.39 1jt7 s TYR 74 Cb -0.19 0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.89 1jt7 s TYR 74 CO 0.19 -0.86 0.53 0.20 -2.51 0.00 0.00 175.55 173.10 1jt7 s GLY 75 N -2.91 2.04 -0.07 5.49 0.00 -0.22 -0.42 107.32 111.23 1jt7 s GLY 75 Ca 0.12 -0.41 -0.05 0.00 0.00 0.00 0.00 44.72 44.38 1jt7 s GLY 75 CO -0.01 1.12 0.15 -0.45 0.00 0.00 0.00 173.10 173.91 1jt7 s SER 76 N 1.20 6.30 0.46 1.64 0.15 0.46 -4.79 113.70 119.12 1jt7 s SER 76 Ca 0.24 0.40 0.23 0.00 0.70 0.00 0.00 55.95 57.52 1jt7 s SER 76 Cb -0.15 -2.00 1.08 0.00 -1.71 0.00 0.00 66.02 63.24 1jt7 s SER 76 CO 0.10 0.35 1.92 1.56 1.20 0.00 0.00 173.24 178.37 1jt7 h GLN 77 N 4.53 0.00 -5.14 5.44 1.08 -1.92 -0.30 115.11 118.81 1jt7 h GLN 77 Ca -0.52 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.33 1jt7 h GLN 77 Cb 1.21 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 28.48 1jt7 h GLN 77 CO 0.62 0.23 -0.73 0.95 -0.95 0.00 0.00 178.83 178.94 1jt7 s THR 78 N -3.97 1.16 -0.51 -0.54 -4.23 -1.26 -4.82 115.64 101.48 1jt7 s THR 78 Ca -0.02 -1.86 -0.22 0.00 -1.18 0.00 0.00 61.69 58.42 1jt7 s THR 78 Cb 0.12 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.37 1jt7 s THR 78 CO 0.64 -0.61 0.77 -2.16 -0.54 0.00 0.00 174.62 172.71 1jt7 s PRO 79 N -3.21 3.25 0.03 3.99 0.04 -1.26 -4.76 135.00 133.08 1jt7 s PRO 79 Ca 0.12 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1jt7 s PRO 79 Cb -0.01 -4.04 -0.00 0.00 0.04 0.00 0.00 34.50 30.48 1jt7 s PRO 79 CO 0.01 -1.28 0.01 0.27 0.04 0.00 0.00 177.00 176.05 1jt7 n ASN 80 N 6.74 0.69 0.20 6.66 0.23 -1.26 -5.00 115.26 123.51 1jt7 n ASN 80 Ca -0.02 -1.17 0.18 0.00 -0.53 0.00 0.00 54.58 53.04 1jt7 n ASN 80 Cb 0.47 0.09 0.83 0.00 -2.08 0.00 0.00 39.78 39.09 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 0.78 114.58 113.66 1jt7 h GLU 81 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1jt7 h GLU 81 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1jt7 h GLU 81 CO 0.04 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.51 1jt7 n GLU 82 N -3.68 0.10 0.00 1.06 1.02 -1.26 -3.58 120.64 114.30 1jt7 n GLU 82 Ca 0.02 0.02 0.10 0.00 -0.02 0.00 0.00 57.16 57.28 1jt7 n GLU 82 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.26 4.28 0.04 0.00 1.43 -1.24 -4.44 118.68 116.50 1jt7 s LEU 84 Ca 0.17 1.26 0.08 0.00 -1.03 0.00 0.00 54.13 54.61 1jt7 s LEU 84 Cb 0.16 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1jt7 s LEU 84 CO 0.49 -0.23 -0.23 -0.36 0.23 0.00 0.00 176.35 176.25 1jt7 s PHE 85 N 1.25 2.04 -0.40 0.29 0.40 -0.50 -1.06 117.98 119.99 1jt7 s PHE 85 Ca 0.40 -0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 56.13 1jt7 s PHE 85 Cb -0.18 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.14 1jt7 s PHE 85 CO 0.18 0.10 0.67 -0.51 0.70 0.00 0.00 175.22 176.36 1jt7 s LEU 86 N -1.16 4.35 -0.39 -0.37 1.43 0.12 -0.91 118.68 121.74 1jt7 s LEU 86 Ca 0.09 -0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 1jt7 s LEU 86 Cb -0.09 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.34 1jt7 s LEU 86 CO 0.02 -0.72 0.68 -0.70 0.23 0.00 0.00 176.35 175.86 1jt7 s GLU 87 N 2.86 3.56 0.16 1.70 2.12 -0.39 -1.31 118.70 127.40 1jt7 s GLU 87 Ca 0.25 -0.02 0.06 0.00 0.36 0.00 0.00 54.97 55.61 1jt7 s GLU 87 Cb -0.14 -3.86 -0.04 0.00 0.26 0.00 0.00 34.13 30.35 1jt7 s GLU 87 CO 0.18 -0.87 -0.12 1.03 -0.54 0.00 0.00 175.26 174.94 1jt7 s ARG 88 N 2.88 1.15 0.51 4.30 1.81 -0.65 -4.64 118.95 124.31 1jt7 s ARG 88 Ca 0.26 -1.48 -0.18 0.00 -1.72 0.00 0.00 55.73 52.61 1jt7 s ARG 88 Cb -0.14 -0.82 -0.08 0.00 -0.45 0.00 0.00 34.95 33.47 1jt7 s ARG 88 CO 0.17 0.12 1.00 -1.17 -0.68 0.00 0.00 175.30 174.75 1jt7 s LEU 89 N -3.14 3.71 -0.07 2.53 2.96 -0.08 -0.98 118.68 123.60 1jt7 s LEU 89 Ca 0.18 1.72 -0.06 0.00 -0.22 0.00 0.00 54.13 55.75 1jt7 s LEU 89 Cb 0.01 -4.53 0.02 0.00 0.50 0.00 0.00 46.19 42.19 1jt7 s LEU 89 CO 0.03 -0.70 0.19 -0.70 -1.32 0.00 0.00 176.35 173.85 1jt7 s GLU 90 N -3.72 0.20 -1.41 1.98 2.56 0.52 -4.81 118.70 114.02 1jt7 s GLU 90 Ca 0.62 0.30 -0.09 0.00 0.00 0.00 0.00 54.97 55.79 1jt7 s GLU 90 Cb -0.12 0.06 0.06 0.00 2.00 0.00 0.00 34.13 36.13 1jt7 s GLU 90 CO 0.26 -0.05 0.64 0.39 -0.56 0.00 0.00 175.26 175.94 1jt7 n GLU 91 N 3.22 -4.28 -1.61 4.30 1.02 -1.26 -0.87 120.64 121.16 1jt7 n GLU 91 Ca -0.15 0.61 -0.15 0.00 -0.02 0.00 0.00 57.16 57.44 1jt7 n GLU 91 Cb 0.57 -5.40 -0.06 0.00 -0.02 0.00 0.00 31.44 26.54 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 -2.48 -4.16 0.00 1.62 4.13 -1.26 -4.59 115.26 108.52 1jt7 n ASN 92 Ca -0.02 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.57 1jt7 n ASN 92 Cb 0.56 -3.75 0.00 0.00 -1.54 0.00 0.00 39.78 35.05 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 -2.29 -1.04 -2.23 3.10 -0.00 -0.05 -5.15 115.22 107.57 1jt7 n HIS 93 Ca -0.16 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.30 1jt7 n HIS 93 Cb 0.53 0.36 0.06 0.00 -0.00 0.00 0.00 29.99 30.94 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 -1.72 3.02 -0.12 1.57 1.51 -0.26 -4.81 117.35 116.55 1jt7 s TYR 94 Ca 0.00 0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 56.53 1jt7 s TYR 94 Cb 0.00 -3.08 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 1jt7 s TYR 94 CO 0.00 -1.26 0.08 -0.80 -1.11 0.00 0.00 175.55 172.46 1jt7 s ASN 95 N -4.46 5.86 0.07 2.29 -0.87 0.23 -0.35 114.94 117.71 1jt7 s ASN 95 Ca 0.58 0.29 0.06 0.00 -1.57 0.00 0.00 52.86 52.22 1jt7 s ASN 95 Cb -0.11 -1.84 -0.03 0.00 -0.02 0.00 0.00 41.25 39.25 1jt7 s ASN 95 CO 0.45 0.35 -0.17 0.42 -2.57 0.00 0.00 177.10 175.59 1jt7 s THR 96 N -0.71 1.36 -0.28 1.60 -4.23 -0.15 -0.59 115.64 112.64 1jt7 s THR 96 Ca 0.12 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 1jt7 s THR 96 Cb -0.12 -1.24 0.07 0.00 1.34 0.00 0.00 72.50 72.55 1jt7 s THR 96 CO 0.03 -0.05 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.70 1jt7 s TYR 97 N -1.05 3.23 -0.14 3.99 2.02 -1.26 -1.63 117.35 122.50 1jt7 s TYR 97 Ca 0.03 -2.43 -0.13 0.00 -0.37 0.00 0.00 57.07 54.16 1jt7 s TYR 97 Cb -0.09 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.24 1jt7 s TYR 97 CO 0.02 -0.89 0.29 0.42 -1.57 0.00 0.00 175.55 173.83 1jt7 s ILE 98 N 1.10 5.30 0.05 2.71 1.01 -0.43 -0.76 121.20 130.19 1jt7 s ILE 98 Ca -0.01 0.55 -0.32 0.00 0.00 0.00 0.00 60.65 60.86 1jt7 s ILE 98 Cb -0.19 -3.62 -0.11 0.00 0.01 0.00 0.00 42.46 38.54 1jt7 s ILE 98 CO -0.07 0.42 1.83 -0.24 0.00 0.00 0.00 174.94 176.89 1jt7 n SER 99 N 3.29 3.74 -0.03 3.58 2.88 0.08 0.15 113.62 127.30 1jt7 n SER 99 Ca -0.13 0.98 -0.12 0.00 -1.33 0.00 0.00 58.87 58.28 1jt7 n SER 99 Cb 0.52 -1.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.45 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 8.67 0.19 -0.79 -1.46 3.64 -1.41 0.70 116.57 126.10 1jt7 h LYS 100 Ca -0.47 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1jt7 h LYS 100 Cb 1.25 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 1jt7 h LYS 100 CO 0.94 0.38 0.52 -0.22 -2.27 0.00 0.00 179.45 178.79 1jt7 h LYS 101 N -0.04 0.87 -0.43 1.90 3.64 -1.76 -2.54 116.57 118.21 1jt7 h LYS 101 Ca 0.03 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.19 1jt7 h LYS 101 Cb 0.28 -0.20 -0.11 0.00 -0.41 0.00 0.00 32.23 31.80 1jt7 h LYS 101 CO 0.00 0.57 0.04 0.72 -2.27 0.00 0.00 179.45 178.52 1jt7 n HIS 102 N -4.47 1.36 -0.34 1.91 8.25 -1.17 -4.75 115.22 116.00 1jt7 n HIS 102 Ca 0.11 -1.43 0.09 0.00 -0.26 0.00 0.00 57.72 56.24 1jt7 n HIS 102 Cb 0.18 -0.51 0.27 0.00 1.12 0.00 0.00 29.99 31.05 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 1.51 0.00 -1.41 0.00 -0.40 0.51 119.26 120.75 1jt7 h ALA 103 Ca 0.22 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1jt7 h ALA 103 Cb 1.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1jt7 h ALA 103 CO 0.45 0.03 0.00 1.05 0.00 0.00 0.00 179.25 180.78 1jt7 h GLU 104 N 0.80 0.00 -0.01 0.00 9.09 -1.85 -0.94 114.58 121.67 1jt7 h GLU 104 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1jt7 h GLU 104 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1jt7 h GLU 104 CO -0.34 0.00 -0.45 1.63 0.05 0.00 0.00 179.01 179.90 1jt7 n LYS 105 N -2.77 0.55 -3.41 1.06 5.02 0.16 -4.96 118.16 113.80 1jt7 n LYS 105 Ca -0.01 -0.37 -0.17 0.00 -2.02 0.00 0.00 58.31 55.75 1jt7 n LYS 105 Cb 0.15 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.76 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 -0.90 -2.07 -4.59 4.39 4.13 -0.36 -4.96 115.26 110.89 1jt7 n ASN 106 Ca 0.09 -0.61 -0.39 0.00 1.68 0.00 0.00 54.58 55.35 1jt7 n ASN 106 Cb 0.36 -5.08 -0.10 0.00 -1.54 0.00 0.00 39.78 33.42 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 -3.36 3.23 0.34 3.10 0.52 -1.24 -4.53 118.94 117.00 1jt7 s TRP 107 Ca 0.00 0.22 0.09 0.00 0.02 0.00 0.00 56.10 56.43 1jt7 s TRP 107 Cb -0.00 -2.47 -0.05 0.00 -1.15 0.00 0.00 33.47 29.80 1jt7 s TRP 107 CO 0.72 -0.21 0.07 -0.06 0.02 0.00 0.00 176.95 177.49 1jt7 s PHE 108 N 1.89 2.61 0.04 -1.98 0.40 -1.26 -0.74 117.98 118.94 1jt7 s PHE 108 Ca 0.10 -0.42 -0.27 0.00 -0.60 0.00 0.00 56.93 55.74 1jt7 s PHE 108 Cb -0.16 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 1jt7 s PHE 108 CO 0.11 0.42 0.86 -1.17 0.70 0.00 0.00 175.22 176.13 1jt7 s LEU 109 N -3.77 4.43 0.06 -0.37 2.96 0.06 -4.51 118.68 117.55 1jt7 s LEU 109 Ca 0.36 1.55 -0.26 0.00 -0.22 0.00 0.00 54.13 55.56 1jt7 s LEU 109 Cb -0.01 -3.39 0.07 0.00 0.50 0.00 0.00 46.19 43.36 1jt7 s LEU 109 CO 0.21 -0.09 0.62 -0.83 -1.32 0.00 0.00 176.35 174.93 1jt7 s GLY 110 N 0.33 -0.57 -0.06 7.98 0.00 -1.26 -4.42 107.32 109.32 1jt7 s GLY 110 Ca 0.44 0.82 0.04 0.00 0.00 0.00 0.00 44.72 46.02 1jt7 s GLY 110 CO 0.25 0.48 -0.19 1.08 0.00 0.00 0.00 173.10 174.73 1jt7 s LEU 111 N -2.04 1.93 0.71 0.66 1.43 -0.65 -0.29 118.68 120.43 1jt7 s LEU 111 Ca -0.04 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1jt7 s LEU 111 Cb -0.01 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1jt7 s LEU 111 CO -0.03 0.15 1.07 -0.54 0.23 0.00 0.00 176.35 177.23 1jt7 s LYS 112 N 0.15 2.83 0.66 1.70 1.02 -0.17 -4.46 119.74 121.47 1jt7 s LYS 112 Ca -0.08 0.81 0.35 0.00 0.02 0.00 0.00 55.97 57.07 1jt7 s LYS 112 Cb -0.14 -1.99 1.92 0.00 -0.52 0.00 0.00 37.83 37.10 1jt7 s LYS 112 CO 0.04 -1.14 2.09 0.87 -0.92 0.00 0.00 175.35 176.29 1jt7 h LYS 113 N -0.74 0.00 -0.02 1.68 1.57 -1.88 0.28 116.57 117.46 1jt7 h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1jt7 h LYS 113 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1jt7 h LYS 113 CO 0.59 0.00 -0.02 0.27 -0.57 0.00 0.00 179.45 179.72 1jt7 n ASN 114 N -3.00 1.59 0.00 0.86 0.23 -1.26 -4.58 115.26 109.09 1jt7 n ASN 114 Ca -0.02 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.53 1jt7 n ASN 114 Cb 0.27 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 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 1.20 0.76 3.91 4.83 0.00 0.98 -4.98 105.19 111.90 1jt7 n GLY 115 Ca 0.18 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 -2.60 6.39 0.47 1.61 1.04 -1.26 0.01 113.70 119.36 1jt7 s SER 116 Ca 0.00 0.34 -0.23 0.00 0.48 0.00 0.00 55.95 56.54 1jt7 s SER 116 Cb 0.00 -1.99 -0.07 0.00 0.10 0.00 0.00 66.02 64.06 1jt7 s SER 116 CO 0.00 0.17 1.25 0.00 0.98 0.00 0.00 173.24 175.64 1jt7 s LYS 118 N -2.64 3.58 -0.07 0.00 1.02 0.60 -4.82 119.74 117.41 1jt7 s LYS 118 Ca 0.64 0.35 -0.10 0.00 0.02 0.00 0.00 55.97 56.88 1jt7 s LYS 118 Cb -0.34 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1jt7 s LYS 118 CO 0.41 -0.27 0.25 1.03 -0.92 0.00 0.00 175.35 175.85 1jt7 s ARG 119 N -4.77 3.65 0.22 1.68 0.52 -1.26 -4.63 118.95 114.36 1jt7 s ARG 119 Ca 0.49 0.09 -0.10 0.00 -0.52 0.00 0.00 55.73 55.69 1jt7 s ARG 119 Cb -0.10 -3.21 0.32 0.00 0.52 0.00 0.00 34.95 32.48 1jt7 s ARG 119 CO 0.46 0.73 1.33 0.41 0.02 0.00 0.00 175.30 178.25 1jt7 n GLY 120 N 1.95 -1.56 0.31 -3.53 0.00 0.13 -0.37 105.19 102.12 1jt7 n GLY 120 Ca -0.17 0.93 0.20 0.00 0.00 0.00 0.00 46.02 46.98 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 -0.68 1.61 0.10 -1.85 -2.07 132.00 129.11 1jt7 h PRO 121 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.47 1jt7 h PRO 121 Cb 0.58 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.68 1jt7 h PRO 121 CO -0.87 0.01 0.00 0.54 0.10 0.00 0.00 178.00 177.78 1jt7 n ARG 122 N -3.15 2.69 -4.18 1.05 5.12 0.51 -4.91 116.66 113.79 1jt7 n ARG 122 Ca -0.02 -2.49 -0.26 0.00 -1.93 0.00 0.00 57.85 53.15 1jt7 n ARG 122 Cb 0.16 -1.57 -0.07 0.00 -1.16 0.00 0.00 32.46 29.83 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 -1.16 3.90 -0.10 0.55 -4.23 -0.78 -4.90 115.64 108.93 1jt7 s THR 123 Ca 0.46 -1.34 -0.31 0.00 -1.18 0.00 0.00 61.69 59.32 1jt7 s THR 123 Cb 0.25 -2.97 0.12 0.00 1.34 0.00 0.00 72.50 71.24 1jt7 s THR 123 CO 0.30 -0.11 1.03 -1.38 -0.54 0.00 0.00 174.62 173.92 1jt7 s HIS 124 N -1.73 -0.26 0.30 3.99 -3.43 -1.26 -4.81 115.29 108.08 1jt7 s HIS 124 Ca 0.28 0.22 -0.29 0.00 -0.80 0.00 0.00 55.06 54.47 1jt7 s HIS 124 Cb -0.09 0.52 -0.13 0.00 -1.43 0.00 0.00 32.58 31.44 1jt7 s HIS 124 CO 0.20 -0.38 1.27 0.66 -2.00 0.00 0.00 174.74 174.48 1jt7 n TYR 125 N -0.03 2.03 0.00 0.38 4.01 -1.26 -2.26 117.16 120.03 1jt7 n TYR 125 Ca -0.05 0.55 0.00 0.00 -0.16 0.00 0.00 57.90 58.23 1jt7 n TYR 125 Cb 0.60 -2.39 0.00 0.00 -0.31 0.00 0.00 39.34 37.24 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 1.30 1.73 3.83 2.72 0.00 -1.26 -5.08 105.19 108.44 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 -0.81 4.13 0.35 1.61 -0.21 -0.96 -4.95 119.66 118.82 1jt7 s GLN 127 Ca 0.00 0.94 0.18 0.00 0.02 0.00 0.00 55.36 56.51 1jt7 s GLN 127 Cb 0.00 -2.27 0.38 0.00 1.00 0.00 0.00 33.01 32.12 1jt7 s GLN 127 CO 0.00 0.03 1.59 0.87 -2.12 0.00 0.00 175.29 175.66 1jt7 h LYS 128 N 2.00 0.00 0.00 2.91 1.79 -1.97 -3.24 116.57 118.06 1jt7 h LYS 128 Ca -0.48 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 57.98 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 0.37 -0.02 0.00 -1.08 0.00 0.00 179.45 179.35 1jt7 h ALA 129 N 1.63 1.82 -0.03 3.86 0.00 -1.93 -2.55 119.26 122.05 1jt7 h ALA 129 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jt7 h ALA 129 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jt7 h ALA 129 CO 0.05 0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.76 1jt7 n ILE 130 N -4.29 0.03 -3.09 0.00 -5.35 -1.22 -1.63 119.36 103.80 1jt7 n ILE 130 Ca -0.03 -0.25 -0.42 0.00 -0.27 0.00 0.00 62.75 61.78 1jt7 n ILE 130 Cb 0.10 0.45 -0.06 0.00 -1.74 0.00 0.00 39.64 38.39 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 -1.95 4.20 0.22 7.28 1.43 -0.96 -4.40 118.68 124.50 1jt7 s LEU 131 Ca 0.38 0.29 0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1jt7 s LEU 131 Cb 0.21 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1jt7 s LEU 131 CO 0.33 -0.57 -0.21 -0.36 0.23 0.00 0.00 176.35 175.77 1jt7 s PHE 132 N 2.72 2.18 -0.17 0.29 0.40 0.24 -3.39 117.98 120.24 1jt7 s PHE 132 Ca 0.26 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1jt7 s PHE 132 Cb -0.14 -1.02 0.02 0.00 0.51 0.00 0.00 43.02 42.39 1jt7 s PHE 132 CO 0.14 0.55 -0.18 -0.51 0.70 0.00 0.00 175.22 175.92 1jt7 s LEU 133 N -3.05 2.06 -0.25 -0.37 1.43 0.20 -0.60 118.68 118.10 1jt7 s LEU 133 Ca 0.24 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.43 1jt7 s LEU 133 Cb -0.06 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1jt7 s LEU 133 CO 0.11 -0.03 0.93 -2.16 0.23 0.00 0.00 176.35 175.43 1jt7 s PRO 134 N 1.34 4.18 -0.13 1.29 0.04 -1.26 -0.98 135.00 139.47 1jt7 s PRO 134 Ca 0.04 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.15 1jt7 s PRO 134 Cb -0.13 -3.66 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 1jt7 s PRO 134 CO -0.12 -0.62 -0.13 -0.51 0.04 0.00 0.00 177.00 175.66 1jt7 s LEU 135 N 3.07 2.71 0.20 -3.56 1.43 0.15 -4.90 118.68 117.78 1jt7 s LEU 135 Ca 0.39 -0.33 -0.32 0.00 -1.03 0.00 0.00 54.13 52.84 1jt7 s LEU 135 Cb -0.15 -1.61 -0.15 0.00 0.03 0.00 0.00 46.19 44.31 1jt7 s LEU 135 CO 0.08 0.17 1.18 -0.81 0.23 0.00 0.00 176.35 177.20 1jt7 n PRO 136 N 3.51 1.32 0.00 1.29 -0.04 -1.26 0.23 135.00 140.04 1jt7 n PRO 136 Ca -0.18 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 1jt7 n PRO 136 Cb 0.53 -1.97 0.56 0.00 -0.04 0.00 0.00 33.50 32.57 1jt7 n PRO 136 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74