#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 1.37 -2.80 -1.40 7.35 -1.26 -5.01 117.46 115.70 1jt7 n PHE 1 Ca 0.00 -1.79 -0.42 0.00 -0.76 0.00 0.00 57.45 54.48 1jt7 n PHE 1 Cb 0.00 -0.27 -0.04 0.00 0.35 0.00 0.00 39.48 39.52 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 -3.34 6.78 0.11 -2.13 0.01 -1.26 -5.03 114.94 110.09 1jt7 s ASN 2 Ca 0.41 0.82 0.04 0.00 -0.71 0.00 0.00 52.86 53.42 1jt7 s ASN 2 Cb 0.38 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1jt7 s ASN 2 CO -0.03 -0.74 0.08 -0.76 -1.51 0.00 0.00 177.10 174.13 1jt7 s LEU 3 N 3.28 3.71 0.64 0.60 1.43 -1.26 -0.89 118.68 126.19 1jt7 s LEU 3 Ca 0.38 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1jt7 s LEU 3 Cb -0.13 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.72 1jt7 s LEU 3 CO 0.14 0.14 0.99 -2.16 0.23 0.00 0.00 176.35 175.68 1jt7 s PRO 4 N -2.61 2.97 0.60 1.29 0.04 -1.26 -4.69 135.00 131.34 1jt7 s PRO 4 Ca 0.29 0.25 -0.20 0.00 0.04 0.00 0.00 61.00 61.38 1jt7 s PRO 4 Cb -0.11 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1jt7 s PRO 4 CO 0.21 -0.81 1.32 -2.30 0.04 0.00 0.00 177.00 175.46 1jt7 n PRO 5 N -2.76 1.40 -1.68 0.56 -0.02 -1.26 -4.89 135.00 126.35 1jt7 n PRO 5 Ca 0.05 0.53 -0.44 0.00 -2.02 0.00 0.00 63.50 61.62 1jt7 n PRO 5 Cb 0.57 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1jt7 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jt7 n GLY 6 N 0.85 0.78 2.49 -1.23 0.00 -1.26 -4.96 105.19 101.87 1jt7 n GLY 6 Ca 0.13 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 1jt7 n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jt7 n ASN 7 N 2.01 -0.13 -0.00 1.61 5.03 -1.26 -4.91 115.26 117.61 1jt7 n ASN 7 Ca 0.11 -3.03 0.00 0.00 0.87 0.00 0.00 54.58 52.53 1jt7 n ASN 7 Cb 0.32 0.21 -0.01 0.00 -1.02 0.00 0.00 39.78 39.29 1jt7 n ASN 7 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1jt7 n TYR 8 N 0.10 0.00 -0.18 3.10 4.01 -1.26 -4.63 117.16 118.29 1jt7 n TYR 8 Ca 0.13 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.79 1jt7 n TYR 8 Cb 0.73 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.77 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 0.00 0.80 -6.40 -0.72 6.56 -1.91 -3.44 116.57 111.46 1jt7 h LYS 9 Ca 0.00 -0.16 -0.62 0.00 -1.06 0.00 0.00 60.65 58.81 1jt7 h LYS 9 Cb 0.03 -0.12 -0.15 0.00 -0.57 0.00 0.00 32.23 31.42 1jt7 h LYS 9 CO 0.00 0.72 -0.75 0.15 -2.06 0.00 0.00 179.45 177.51 1jt7 s LYS 10 N -5.47 1.84 0.70 3.15 1.02 -1.26 -5.11 119.74 114.61 1jt7 s LYS 10 Ca -0.13 -1.48 -0.14 0.00 0.02 0.00 0.00 55.97 54.23 1jt7 s LYS 10 Cb 0.12 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.47 1jt7 s LYS 10 CO 0.79 0.39 1.13 -1.25 -0.92 0.00 0.00 175.35 175.49 1jt7 s PRO 11 N -3.07 2.53 0.19 -1.68 0.04 -1.26 -4.76 135.00 126.98 1jt7 s PRO 11 Ca 0.26 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 1jt7 s PRO 11 Cb -0.07 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1jt7 s PRO 11 CO 0.14 -1.48 0.09 0.15 0.04 0.00 0.00 177.00 175.95 1jt7 s LYS 12 N -4.13 1.14 -0.10 4.56 -0.14 0.90 -3.98 119.74 117.99 1jt7 s LYS 12 Ca 0.68 -1.58 -0.05 0.00 -1.36 0.00 0.00 55.97 53.66 1jt7 s LYS 12 Cb -0.22 0.13 -0.04 0.00 -1.68 0.00 0.00 37.83 36.02 1jt7 s LYS 12 CO 0.44 -0.31 0.11 -0.51 -0.76 0.00 0.00 175.35 174.32 1jt7 s LEU 13 N -3.15 4.17 -0.56 3.17 1.43 0.99 -0.83 118.68 123.91 1jt7 s LEU 13 Ca 0.33 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 1jt7 s LEU 13 Cb 0.07 -2.05 0.14 0.00 0.03 0.00 0.00 46.19 44.38 1jt7 s LEU 13 CO 0.08 0.39 0.41 -0.76 0.23 0.00 0.00 176.35 176.70 1jt7 s LEU 14 N -1.09 5.64 -0.24 1.79 1.43 -1.26 -0.02 118.68 124.94 1jt7 s LEU 14 Ca 0.16 -2.31 -0.20 0.00 -1.03 0.00 0.00 54.13 50.75 1jt7 s LEU 14 Cb -0.12 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1jt7 s LEU 14 CO 0.05 -0.56 0.61 -0.47 0.23 0.00 0.00 176.35 176.20 1jt7 s TYR 15 N 0.75 3.30 -0.24 0.29 6.14 -0.50 -1.24 117.35 125.85 1jt7 s TYR 15 Ca 0.11 0.81 -0.21 0.00 0.64 0.00 0.00 57.07 58.42 1jt7 s TYR 15 Cb -0.22 -2.81 -0.02 0.00 0.42 0.00 0.00 41.96 39.34 1jt7 s TYR 15 CO -0.03 -0.28 0.65 0.00 0.64 0.00 0.00 175.55 176.52 1jt7 h SER 17 N 7.75 0.71 0.00 0.00 0.87 -1.68 -1.30 113.55 119.89 1jt7 h SER 17 Ca -0.28 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1jt7 h SER 17 Cb 1.13 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1jt7 h SER 17 CO 0.78 0.50 0.00 -3.20 -0.53 0.00 0.00 176.83 174.38 1jt7 n ASN 18 N -4.45 0.00 -0.39 6.23 5.15 -1.24 -3.63 115.26 116.93 1jt7 n ASN 18 Ca 0.07 0.91 0.05 0.00 -0.60 0.00 0.00 54.58 55.01 1jt7 n ASN 18 Cb 0.08 -0.41 0.12 0.00 -0.53 0.00 0.00 39.78 39.04 1jt7 n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jt7 n GLY 19 N -0.99 3.32 2.96 8.20 0.00 -1.25 -4.83 105.19 112.61 1jt7 n GLY 19 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.24 -0.24 3.51 -0.02 0.00 -0.50 -4.98 105.19 102.72 1jt7 n GLY 20 Ca 0.10 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.29 2.54 -0.16 1.61 3.76 -1.14 -4.58 115.29 114.03 1jt7 s HIS 21 Ca 0.02 -0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 54.54 1jt7 s HIS 21 Cb -0.00 -1.29 -0.05 0.00 1.11 0.00 0.00 32.58 32.35 1jt7 s HIS 21 CO 0.59 0.46 0.27 -0.06 -0.85 0.00 0.00 174.74 175.15 1jt7 s PHE 22 N -1.47 3.47 0.37 1.40 0.08 0.27 -0.13 117.98 121.96 1jt7 s PHE 22 Ca 0.21 0.58 -0.28 0.00 0.12 0.00 0.00 56.93 57.56 1jt7 s PHE 22 Cb -0.09 -2.31 -0.11 0.00 -0.57 0.00 0.00 43.02 39.94 1jt7 s PHE 22 CO 0.12 0.27 1.42 -0.11 -0.10 0.00 0.00 175.22 176.82 1jt7 n LEU 23 N 3.45 4.34 -3.81 -0.37 7.94 -0.38 -0.78 117.00 127.40 1jt7 n LEU 23 Ca -0.13 1.22 -0.13 0.00 -1.11 0.00 0.00 56.01 55.87 1jt7 n LEU 23 Cb 0.52 -1.57 -0.13 0.00 0.53 0.00 0.00 43.42 42.77 1jt7 n LEU 23 CO 0.39 -0.08 -0.21 -0.60 -1.11 0.00 0.00 177.39 175.78 1jt7 s ARG 24 N -2.03 0.15 -0.25 1.96 3.52 0.91 -4.44 118.95 118.77 1jt7 s ARG 24 Ca 0.54 0.22 0.01 0.00 -0.13 0.00 0.00 55.73 56.37 1jt7 s ARG 24 Cb -0.51 0.04 0.05 0.00 -1.56 0.00 0.00 34.95 32.97 1jt7 s ARG 24 CO 0.63 -0.04 -0.11 0.42 -0.81 0.00 0.00 175.30 175.39 1jt7 s ILE 25 N 0.24 2.36 0.52 4.11 1.01 -1.10 -1.08 121.20 127.24 1jt7 s ILE 25 Ca -0.01 -1.37 -0.14 0.00 0.00 0.00 0.00 60.65 59.13 1jt7 s ILE 25 Cb -0.03 -2.27 -0.07 0.00 0.01 0.00 0.00 42.46 40.10 1jt7 s ILE 25 CO -0.01 0.12 0.96 -0.76 0.00 0.00 0.00 174.94 175.24 1jt7 s LEU 26 N 1.19 3.58 0.48 2.97 1.43 0.13 -4.84 118.68 123.63 1jt7 s LEU 26 Ca -0.04 1.46 0.27 0.00 -1.03 0.00 0.00 54.13 54.79 1jt7 s LEU 26 Cb -0.18 -4.41 1.34 0.00 0.03 0.00 0.00 46.19 42.97 1jt7 s LEU 26 CO -0.06 -0.61 1.84 -0.65 0.23 0.00 0.00 176.35 177.10 1jt7 h PRO 27 N 0.72 0.16 0.00 1.29 0.11 -1.99 0.51 132.00 132.80 1jt7 h PRO 27 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jt7 h PRO 27 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jt7 h PRO 27 CO 0.62 0.11 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 1jt7 n ASP 28 N -4.38 0.00 0.00 -2.05 5.68 -1.26 -4.83 116.55 109.71 1jt7 n ASP 28 Ca 0.22 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 53.21 1jt7 n ASP 28 Cb 0.96 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.94 1jt7 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jt7 n GLY 29 N 0.77 0.72 3.77 6.12 0.00 0.18 -4.97 105.19 111.78 1jt7 n GLY 29 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.74 3.30 -0.06 2.61 2.01 -1.23 -1.41 115.64 118.12 1jt7 s THR 30 Ca 0.00 1.15 0.04 0.00 0.31 0.00 0.00 61.69 63.19 1jt7 s THR 30 Cb 0.00 -3.67 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 1jt7 s THR 30 CO 0.00 0.15 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.20 1jt7 s VAL 31 N -1.37 1.65 0.00 3.82 1.01 -1.26 0.18 120.40 124.42 1jt7 s VAL 31 Ca 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1jt7 s VAL 31 Cb -0.30 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1jt7 s VAL 31 CO 0.38 0.47 0.00 -0.90 0.00 0.00 0.00 175.10 175.05 1jt7 n ASP 32 N 3.27 0.00 -4.19 3.32 5.75 -0.24 -4.47 116.55 119.98 1jt7 n ASP 32 Ca -0.19 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.40 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 -0.05 0.94 0.03 6.12 0.00 0.10 -0.07 107.32 114.40 1jt7 s GLY 33 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1jt7 s GLY 33 CO 0.00 -1.08 -0.05 -1.08 0.00 0.00 0.00 173.10 170.89 1jt7 s THR 34 N -1.27 0.33 -2.27 0.90 -1.32 0.04 -4.80 115.64 107.25 1jt7 s THR 34 Ca -0.00 -0.86 0.26 0.00 -1.21 0.00 0.00 61.69 59.88 1jt7 s THR 34 Cb -0.10 -0.41 0.33 0.00 -1.51 0.00 0.00 72.50 70.81 1jt7 s THR 34 CO 0.03 -0.35 1.52 0.54 -2.21 0.00 0.00 174.62 174.15 1jt7 n ARG 35 N 1.77 1.44 -2.68 7.08 1.74 -1.26 0.94 116.66 125.68 1jt7 n ARG 35 Ca -0.22 -0.97 -0.42 0.00 -0.77 0.00 0.00 57.85 55.48 1jt7 n ARG 35 Cb 0.55 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.23 6.17 0.03 0.55 2.15 -1.26 -4.86 116.67 117.22 1jt7 s ASP 36 Ca 0.29 -0.67 0.06 0.00 0.43 0.00 0.00 52.55 52.66 1jt7 s ASP 36 Cb 0.20 -2.50 0.28 0.00 -0.30 0.00 0.00 42.92 40.60 1jt7 s ASP 36 CO 0.42 -1.67 1.19 -1.14 -0.17 0.00 0.00 175.17 173.81 1jt7 n ARG 37 N 8.66 0.02 0.00 4.34 0.63 -1.26 -1.37 116.66 127.68 1jt7 n ARG 37 Ca 0.00 0.45 0.13 0.00 -0.92 0.00 0.00 57.85 57.51 1jt7 n ARG 37 Cb 0.47 -1.55 0.30 0.00 0.45 0.00 0.00 32.46 32.14 1jt7 n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1jt7 n SER 38 N -1.59 2.11 -4.71 6.15 3.41 -1.26 -4.95 113.62 112.78 1jt7 n SER 38 Ca 0.01 -1.65 -0.41 0.00 -0.26 0.00 0.00 58.87 56.55 1jt7 n SER 38 Cb 0.05 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.57 2.70 -0.46 4.04 -0.08 -0.47 -4.90 116.55 117.94 1jt7 n ASP 39 Ca 0.16 1.13 0.12 0.00 -1.51 0.00 0.00 54.79 54.68 1jt7 n ASP 39 Cb 0.46 -1.51 0.46 0.00 2.34 0.00 0.00 41.12 42.87 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 0.09 1.62 -0.21 -0.67 1.13 -1.26 -3.99 117.38 114.09 1jt7 n GLN 40 Ca 0.06 -0.92 0.09 0.00 -1.94 0.00 0.00 57.00 54.29 1jt7 n GLN 40 Cb 0.39 -1.42 0.16 0.00 0.11 0.00 0.00 30.24 29.49 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 0.13 0.07 1.08 8.25 -1.26 -4.61 115.22 119.01 1jt7 n HIS 41 Ca 0.17 -1.08 0.07 0.00 -0.26 0.00 0.00 57.72 56.63 1jt7 n HIS 41 Cb 0.31 -0.19 0.15 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.29 0.64 -3.61 1.59 -5.35 -1.26 -2.72 119.36 107.37 1jt7 n ILE 42 Ca 0.18 -0.82 -0.36 0.00 -0.27 0.00 0.00 62.75 61.47 1jt7 n ILE 42 Cb 0.69 0.78 -0.08 0.00 -1.74 0.00 0.00 39.64 39.29 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 -1.07 4.19 0.13 6.28 1.11 -1.26 -4.40 119.66 124.64 1jt7 s GLN 43 Ca 0.25 -0.08 0.08 0.00 0.01 0.00 0.00 55.36 55.62 1jt7 s GLN 43 Cb 0.14 -3.46 -0.04 0.00 -1.01 0.00 0.00 33.01 28.64 1jt7 s GLN 43 CO 0.19 0.19 -0.20 -0.06 0.01 0.00 0.00 175.29 175.43 1jt7 s PHE 44 N 0.65 1.79 -0.24 0.91 0.40 -0.01 -1.54 117.98 119.94 1jt7 s PHE 44 Ca 0.12 -0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1jt7 s PHE 44 Cb -0.13 -0.95 0.02 0.00 0.51 0.00 0.00 43.02 42.47 1jt7 s PHE 44 CO 0.02 0.25 -0.06 -1.14 0.70 0.00 0.00 175.22 174.99 1jt7 s GLN 45 N -2.24 2.93 0.05 0.44 2.00 0.11 -0.07 119.66 122.88 1jt7 s GLN 45 Ca 0.10 -0.91 -0.02 0.00 -2.00 0.00 0.00 55.36 52.53 1jt7 s GLN 45 Cb -0.08 -2.97 -0.04 0.00 0.80 0.00 0.00 33.01 30.71 1jt7 s GLN 45 CO 0.05 -0.36 0.24 -0.51 -0.50 0.00 0.00 175.29 174.21 1jt7 s LEU 46 N 1.35 4.35 -0.03 3.68 1.02 -1.26 -1.67 118.68 126.12 1jt7 s LEU 46 Ca 0.01 0.36 -0.13 0.00 0.02 0.00 0.00 54.13 54.39 1jt7 s LEU 46 Cb -0.16 -2.92 0.02 0.00 0.02 0.00 0.00 46.19 43.15 1jt7 s LEU 46 CO -0.05 0.18 0.28 -0.94 0.02 0.00 0.00 176.35 175.84 1jt7 s SER 47 N -2.32 -0.18 -0.18 2.29 1.04 -1.01 -4.59 113.70 108.76 1jt7 s SER 47 Ca 0.34 0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.74 1jt7 s SER 47 Cb -0.13 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1jt7 s SER 47 CO 0.25 -0.37 0.40 0.00 0.98 0.00 0.00 173.24 174.49 1jt7 s ALA 48 N -1.06 3.55 -0.12 5.32 0.00 -1.26 -1.74 121.76 126.44 1jt7 s ALA 48 Ca -0.11 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.25 1jt7 s ALA 48 Cb -0.05 -2.60 -0.26 0.00 0.00 0.00 0.00 23.12 20.21 1jt7 s ALA 48 CO 0.03 -0.17 0.51 0.93 0.00 0.00 0.00 175.76 177.07 1jt7 h GLU 49 N 7.10 0.21 -4.30 0.00 4.39 -0.95 -3.48 114.58 117.55 1jt7 h GLU 49 Ca -0.38 -0.36 -0.16 0.00 0.34 0.00 0.00 59.36 58.80 1jt7 h GLU 49 Cb 1.17 0.13 -0.15 0.00 -0.10 0.00 0.00 28.75 29.80 1jt7 h GLU 49 CO 0.73 1.17 -0.59 -1.12 -1.16 0.00 0.00 179.01 178.05 1jt7 s SER 50 N -6.99 0.28 0.07 1.42 0.01 -1.22 -5.03 113.70 102.25 1jt7 s SER 50 Ca -0.21 -1.11 -0.33 0.00 1.31 0.00 0.00 55.95 55.61 1jt7 s SER 50 Cb 0.04 0.31 -0.12 0.00 0.21 0.00 0.00 66.02 66.46 1jt7 s SER 50 CO 0.74 -0.74 1.79 0.52 0.41 0.00 0.00 173.24 175.96 1jt7 n VAL 51 N -0.09 0.35 -0.99 3.43 0.31 -1.26 -0.98 118.33 119.10 1jt7 n VAL 51 Ca -0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1jt7 n VAL 51 Cb 0.63 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1jt7 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jt7 n GLY 52 N 4.08 0.99 3.36 2.92 0.00 -1.26 -5.01 105.19 110.27 1jt7 n GLY 52 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.01 3.44 0.19 1.61 2.02 -0.15 -0.59 118.70 125.21 1jt7 s GLU 53 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.40 1jt7 s GLU 53 Cb 0.00 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.27 1jt7 s GLU 53 CO 0.00 -0.03 -0.02 0.14 0.02 0.00 0.00 175.26 175.37 1jt7 s VAL 54 N 1.03 0.86 -0.01 2.63 -7.23 0.35 -0.21 120.40 117.82 1jt7 s VAL 54 Ca 0.00 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1jt7 s VAL 54 Cb -0.15 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1jt7 s VAL 54 CO -0.00 -0.48 -0.08 -0.31 -0.31 0.00 0.00 175.10 173.92 1jt7 s TYR 55 N -3.53 2.86 -0.32 2.82 2.02 -0.71 -1.32 117.35 119.16 1jt7 s TYR 55 Ca 0.24 -0.05 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 1jt7 s TYR 55 Cb 0.05 -1.62 0.09 0.00 -0.40 0.00 0.00 41.96 40.08 1jt7 s TYR 55 CO 0.05 0.34 0.03 0.42 -1.57 0.00 0.00 175.55 174.82 1jt7 s ILE 56 N -0.93 1.94 -0.11 2.71 1.01 -1.26 -2.40 121.20 122.16 1jt7 s ILE 56 Ca 0.15 -1.99 -0.01 0.00 0.00 0.00 0.00 60.65 58.81 1jt7 s ILE 56 Cb -0.11 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 1jt7 s ILE 56 CO 0.05 -0.50 -0.07 -0.75 0.00 0.00 0.00 174.94 173.67 1jt7 s LYS 57 N 1.10 3.22 -0.03 2.79 2.20 -0.67 -0.33 119.74 128.02 1jt7 s LYS 57 Ca 0.07 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 1jt7 s LYS 57 Cb -0.19 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1jt7 s LYS 57 CO -0.11 0.42 1.34 0.45 -0.36 0.00 0.00 175.35 177.10 1jt7 s SER 58 N -0.15 6.91 0.24 1.43 0.15 0.01 0.08 113.70 122.37 1jt7 s SER 58 Ca 0.02 2.00 0.05 0.00 0.70 0.00 0.00 55.95 58.71 1jt7 s SER 58 Cb -0.13 -2.56 0.27 0.00 -1.71 0.00 0.00 66.02 61.89 1jt7 s SER 58 CO 0.03 -0.69 1.57 0.71 1.20 0.00 0.00 173.24 176.06 1jt7 h THR 59 N 5.03 1.39 -0.14 6.45 1.35 -1.62 0.87 112.91 126.23 1jt7 h THR 59 Ca -0.36 -1.96 -0.06 0.00 -0.55 0.00 0.00 66.41 63.48 1jt7 h THR 59 Cb 1.17 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1jt7 h THR 59 CO 0.90 0.58 -0.14 -0.08 -0.25 0.00 0.00 175.52 176.54 1jt7 h GLU 60 N 0.16 0.35 0.00 4.72 4.57 -1.81 -3.37 114.58 119.19 1jt7 h GLU 60 Ca -0.00 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1jt7 h GLU 60 Cb 1.09 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1jt7 h GLU 60 CO 0.09 0.73 -1.66 0.25 -1.18 0.00 0.00 179.01 177.24 1jt7 n THR 61 N -4.57 0.02 -0.54 0.32 -2.24 -1.22 -5.00 114.28 101.05 1jt7 n THR 61 Ca -0.06 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1jt7 n THR 61 Cb 0.35 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.71 1.24 3.77 3.38 0.00 0.30 -5.00 105.19 110.59 1jt7 n GLY 62 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.26 4.09 -0.13 1.61 -0.21 -1.25 -4.65 119.66 118.86 1jt7 s GLN 63 Ca 0.00 1.81 -0.10 0.00 0.02 0.00 0.00 55.36 57.09 1jt7 s GLN 63 Cb 0.00 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.28 1jt7 s GLN 63 CO 0.00 -0.28 0.20 0.71 -2.12 0.00 0.00 175.29 173.80 1jt7 s TYR 64 N -1.43 3.55 0.28 0.91 1.51 0.57 -0.81 117.35 121.93 1jt7 s TYR 64 Ca 0.57 0.55 -0.29 0.00 -1.01 0.00 0.00 57.07 56.88 1jt7 s TYR 64 Cb -0.30 -2.11 -0.10 0.00 -0.11 0.00 0.00 41.96 39.34 1jt7 s TYR 64 CO 0.38 0.53 1.39 -1.17 -1.11 0.00 0.00 175.55 175.57 1jt7 s LEU 65 N -0.44 4.40 0.15 -1.29 2.96 0.55 -0.51 118.68 124.49 1jt7 s LEU 65 Ca 0.15 2.68 -0.12 0.00 -0.22 0.00 0.00 54.13 56.62 1jt7 s LEU 65 Cb -0.13 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1jt7 s LEU 65 CO 0.04 -0.65 0.33 0.00 -1.32 0.00 0.00 176.35 174.75 1jt7 s ALA 66 N -0.42 -0.38 -0.10 5.97 0.00 0.17 -4.38 121.76 122.62 1jt7 s ALA 66 Ca 0.55 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1jt7 s ALA 66 Cb -0.41 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.49 1jt7 s ALA 66 CO 0.47 -0.65 -0.08 1.41 0.00 0.00 0.00 175.76 176.91 1jt7 s MET 67 N -3.90 1.52 1.09 0.00 1.75 -0.60 -0.24 119.30 118.92 1jt7 s MET 67 Ca 0.11 -0.27 -0.18 0.00 -1.25 0.00 0.00 55.69 54.09 1jt7 s MET 67 Cb 0.02 -1.52 0.26 0.00 2.84 0.00 0.00 34.83 36.44 1jt7 s MET 67 CO -0.05 -0.21 1.21 -0.40 -0.65 0.00 0.00 175.02 174.93 1jt7 n ASP 68 N 4.72 -0.93 0.28 1.11 5.68 0.45 -4.77 116.55 123.09 1jt7 n ASP 68 Ca -0.15 -1.33 0.13 0.00 -0.50 0.00 0.00 54.79 52.94 1jt7 n ASP 68 Cb 0.50 -1.01 0.82 0.00 -1.14 0.00 0.00 41.12 40.30 1jt7 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jt7 h THR 69 N -2.22 0.68 -0.71 2.12 1.03 -2.01 -1.06 112.91 110.73 1jt7 h THR 69 Ca -0.42 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.98 1jt7 h THR 69 Cb 1.21 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1jt7 h THR 69 CO 0.29 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.27 1jt7 n ASP 70 N -4.08 3.83 0.00 0.00 8.00 -1.26 -4.93 116.55 118.10 1jt7 n ASP 70 Ca -0.03 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.47 1jt7 n ASP 70 Cb 0.09 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 1.63 0.55 3.74 0.44 0.00 -0.40 -4.65 105.19 106.49 1jt7 n GLY 71 Ca 0.24 -0.15 -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 4.36 0.05 0.99 1.43 -1.26 -0.53 118.68 123.72 1jt7 s LEU 72 Ca 0.00 1.15 -0.26 0.00 -1.03 0.00 0.00 54.13 53.99 1jt7 s LEU 72 Cb 0.00 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.18 1jt7 s LEU 72 CO 0.00 -0.01 0.82 -0.69 0.23 0.00 0.00 176.35 176.70 1jt7 s VAL 73 N 0.34 4.72 0.25 -1.59 1.01 -1.26 -0.41 120.40 123.45 1jt7 s VAL 73 Ca 0.34 1.75 -0.09 0.00 0.00 0.00 0.00 61.98 63.97 1jt7 s VAL 73 Cb -0.18 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1jt7 s VAL 73 CO 0.17 0.33 0.40 -0.72 0.00 0.00 0.00 175.10 175.28 1jt7 s TYR 74 N 0.12 0.60 -0.25 5.22 1.13 0.67 -4.50 117.35 120.33 1jt7 s TYR 74 Ca 0.41 -0.92 -0.10 0.00 -1.41 0.00 0.00 57.07 55.06 1jt7 s TYR 74 Cb -0.21 0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.61 1jt7 s TYR 74 CO 0.24 -0.93 0.15 0.20 -2.51 0.00 0.00 175.55 172.71 1jt7 s GLY 75 N -3.07 1.93 -0.15 5.49 0.00 -0.50 -0.65 107.32 110.37 1jt7 s GLY 75 Ca 0.27 -0.98 -0.08 0.00 0.00 0.00 0.00 44.72 43.92 1jt7 s GLY 75 CO 0.11 0.48 0.13 -0.45 0.00 0.00 0.00 173.10 173.37 1jt7 s SER 76 N 1.34 6.30 0.27 1.64 0.15 0.33 -4.73 113.70 119.00 1jt7 s SER 76 Ca 0.07 0.37 0.04 0.00 0.70 0.00 0.00 55.95 57.13 1jt7 s SER 76 Cb -0.15 -2.07 0.36 0.00 -1.71 0.00 0.00 66.02 62.46 1jt7 s SER 76 CO 0.07 0.32 1.65 1.56 1.20 0.00 0.00 173.24 178.04 1jt7 h GLN 77 N 5.65 0.33 -6.49 5.44 1.08 -1.91 0.16 115.11 119.37 1jt7 h GLN 77 Ca -0.49 -0.17 -0.62 0.00 -1.45 0.00 0.00 58.65 55.92 1jt7 h GLN 77 Cb 1.20 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.42 1jt7 h GLN 77 CO 0.65 0.70 -0.83 0.95 -0.95 0.00 0.00 178.83 179.35 1jt7 s THR 78 N -4.12 2.05 0.12 -0.54 -4.23 -1.26 -4.77 115.64 102.89 1jt7 s THR 78 Ca -0.05 -1.77 -0.30 0.00 -1.18 0.00 0.00 61.69 58.38 1jt7 s THR 78 Cb 0.13 -1.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.04 1jt7 s THR 78 CO 0.79 -0.05 1.11 -2.16 -0.54 0.00 0.00 174.62 173.76 1jt7 s PRO 79 N -2.24 4.55 0.28 3.99 0.04 -1.26 -4.86 135.00 135.49 1jt7 s PRO 79 Ca 0.13 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1jt7 s PRO 79 Cb -0.09 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1jt7 s PRO 79 CO 0.06 -0.03 0.33 0.27 0.04 0.00 0.00 177.00 177.67 1jt7 n ASN 80 N 3.04 -0.90 0.29 6.66 0.23 -1.26 -5.02 115.26 118.30 1jt7 n ASN 80 Ca 0.05 -2.64 0.18 0.00 -0.53 0.00 0.00 54.58 51.63 1jt7 n ASN 80 Cb 0.47 1.79 0.96 0.00 -2.08 0.00 0.00 39.78 40.92 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 -0.00 -1.99 0.54 114.58 109.30 1jt7 h GLU 81 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.15 1jt7 h GLU 81 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.72 1jt7 h GLU 81 CO 0.29 0.00 0.00 0.39 -0.00 0.00 0.00 179.01 179.69 1jt7 n GLU 82 N -3.59 0.16 0.01 1.06 1.02 -1.26 -3.38 120.64 114.65 1jt7 n GLU 82 Ca -0.02 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 1jt7 n GLU 82 Cb 0.16 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 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 -3.27 4.38 0.02 0.00 1.43 -1.22 -4.51 118.68 115.52 1jt7 s LEU 84 Ca 0.08 1.46 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1jt7 s LEU 84 Cb 0.16 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 1jt7 s LEU 84 CO 0.79 -0.13 -0.19 -0.36 0.23 0.00 0.00 176.35 176.70 1jt7 s PHE 85 N 0.62 1.64 -0.41 0.29 0.40 -0.44 -0.71 117.98 119.36 1jt7 s PHE 85 Ca 0.43 -0.35 -0.23 0.00 -0.60 0.00 0.00 56.93 56.19 1jt7 s PHE 85 Cb -0.20 -1.00 0.02 0.00 0.51 0.00 0.00 43.02 42.35 1jt7 s PHE 85 CO 0.24 0.04 0.77 -0.51 0.70 0.00 0.00 175.22 176.46 1jt7 s LEU 86 N -0.92 4.21 -0.33 -0.37 1.43 0.13 -0.49 118.68 122.34 1jt7 s LEU 86 Ca 0.06 0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 52.99 1jt7 s LEU 86 Cb -0.08 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.18 1jt7 s LEU 86 CO 0.01 -0.83 0.82 -0.70 0.23 0.00 0.00 176.35 175.88 1jt7 s GLU 87 N 3.18 3.91 0.12 1.70 2.12 0.24 -1.54 118.70 128.43 1jt7 s GLU 87 Ca 0.30 0.56 0.04 0.00 0.36 0.00 0.00 54.97 56.22 1jt7 s GLU 87 Cb -0.13 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1jt7 s GLU 87 CO 0.20 -0.76 -0.09 1.03 -0.54 0.00 0.00 175.26 175.10 1jt7 s ARG 88 N 3.09 0.94 0.40 4.30 1.81 -0.13 -4.71 118.95 124.64 1jt7 s ARG 88 Ca 0.34 -1.32 -0.23 0.00 -1.72 0.00 0.00 55.73 52.80 1jt7 s ARG 88 Cb -0.14 -0.50 -0.11 0.00 -0.45 0.00 0.00 34.95 33.76 1jt7 s ARG 88 CO 0.14 0.06 0.95 -1.17 -0.68 0.00 0.00 175.30 174.60 1jt7 s LEU 89 N -2.88 4.06 -0.05 2.53 2.96 -0.07 -0.16 118.68 125.08 1jt7 s LEU 89 Ca 0.12 1.75 -0.03 0.00 -0.22 0.00 0.00 54.13 55.74 1jt7 s LEU 89 Cb 0.01 -4.38 0.02 0.00 0.50 0.00 0.00 46.19 42.34 1jt7 s LEU 89 CO -0.01 -0.29 0.12 -0.70 -1.32 0.00 0.00 176.35 174.15 1jt7 s GLU 90 N -2.84 0.12 -1.29 1.98 2.56 0.12 -4.80 118.70 114.55 1jt7 s GLU 90 Ca 0.59 0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.76 1jt7 s GLU 90 Cb -0.12 -0.00 0.00 0.00 2.00 0.00 0.00 34.13 36.00 1jt7 s GLU 90 CO 0.17 -0.06 0.00 0.39 -0.56 0.00 0.00 175.26 175.20 1jt7 n GLU 91 N 3.33 -2.03 -0.07 4.30 1.02 -1.26 -1.05 120.64 124.88 1jt7 n GLU 91 Ca -0.16 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1jt7 n GLU 91 Cb 0.57 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 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 -1.81 0.00 0.00 1.62 4.13 -1.26 -4.57 115.26 113.38 1jt7 n ASN 92 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 1jt7 n ASN 92 Cb 0.63 -1.02 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 1jt7 n ASN 92 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1jt7 n HIS 93 N -2.00 0.00 -3.02 3.10 8.25 -0.66 -5.11 115.22 115.78 1jt7 n HIS 93 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1jt7 n HIS 93 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 1jt7 n HIS 93 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1jt7 s TYR 94 N -0.65 2.45 -0.07 4.41 2.02 -0.22 -4.90 117.35 120.39 1jt7 s TYR 94 Ca 0.00 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1jt7 s TYR 94 Cb 0.00 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 1jt7 s TYR 94 CO 0.00 -0.61 -0.06 -0.80 -1.57 0.00 0.00 175.55 172.52 1jt7 s ASN 95 N -4.43 4.75 0.12 2.29 -0.87 0.11 -0.70 114.94 116.21 1jt7 s ASN 95 Ca 0.57 0.01 0.08 0.00 -1.57 0.00 0.00 52.86 51.95 1jt7 s ASN 95 Cb -0.09 -1.23 -0.04 0.00 -0.02 0.00 0.00 41.25 39.87 1jt7 s ASN 95 CO 0.34 0.36 -0.20 0.42 -2.57 0.00 0.00 177.10 175.46 1jt7 s THR 96 N -0.80 1.74 -0.26 1.60 -4.23 0.78 -1.15 115.64 113.33 1jt7 s THR 96 Ca 0.12 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 58.97 1jt7 s THR 96 Cb -0.11 -1.65 0.07 0.00 1.34 0.00 0.00 72.50 72.15 1jt7 s THR 96 CO 0.02 -0.15 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.63 1jt7 s TYR 97 N -1.46 2.34 -0.16 3.99 2.02 -1.26 -0.96 117.35 121.86 1jt7 s TYR 97 Ca 0.09 -1.83 -0.13 0.00 -0.37 0.00 0.00 57.07 54.84 1jt7 s TYR 97 Cb -0.09 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.71 1jt7 s TYR 97 CO 0.05 -0.80 0.25 0.42 -1.57 0.00 0.00 175.55 173.91 1jt7 s ILE 98 N 1.41 5.33 0.02 2.71 1.01 -0.59 -1.02 121.20 130.07 1jt7 s ILE 98 Ca -0.01 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.80 1jt7 s ILE 98 Cb -0.18 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1jt7 s ILE 98 CO -0.09 0.43 1.98 -0.24 0.00 0.00 0.00 174.94 177.01 1jt7 n SER 99 N 3.35 4.11 -0.08 3.58 2.88 -0.04 0.20 113.62 127.62 1jt7 n SER 99 Ca -0.13 0.89 -0.09 0.00 -1.33 0.00 0.00 58.87 58.21 1jt7 n SER 99 Cb 0.52 -1.52 -0.01 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 10.65 0.33 -1.00 -1.46 3.64 -1.23 0.82 116.57 128.31 1jt7 h LYS 100 Ca -0.50 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1jt7 h LYS 100 Cb 1.24 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 1jt7 h LYS 100 CO 0.94 0.22 0.64 -0.22 -2.27 0.00 0.00 179.45 178.76 1jt7 h LYS 101 N 0.34 1.07 -0.41 1.90 3.64 -1.76 -2.58 116.57 118.77 1jt7 h LYS 101 Ca 0.11 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.27 1jt7 h LYS 101 Cb -0.00 -0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 31.48 1jt7 h LYS 101 CO -0.05 0.71 0.04 0.72 -2.27 0.00 0.00 179.45 178.59 1jt7 n HIS 102 N -4.54 1.33 -0.21 1.91 8.25 -1.05 -4.73 115.22 116.18 1jt7 n HIS 102 Ca 0.17 -1.37 0.14 0.00 -0.26 0.00 0.00 57.72 56.39 1jt7 n HIS 102 Cb 0.25 -0.50 0.44 0.00 1.12 0.00 0.00 29.99 31.31 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 1.36 1.98 0.00 -1.41 0.00 -0.41 -0.62 119.26 120.16 1jt7 h ALA 103 Ca 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1jt7 h ALA 103 Cb 1.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1jt7 h ALA 103 CO 0.43 -0.20 -0.01 1.05 0.00 0.00 0.00 179.25 180.52 1jt7 h GLU 104 N 0.55 0.00 -0.18 0.00 9.09 -1.84 -1.97 114.58 120.21 1jt7 h GLU 104 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1jt7 h GLU 104 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1jt7 h GLU 104 CO -0.15 0.01 0.00 1.63 0.05 0.00 0.00 179.01 180.55 1jt7 n LYS 105 N -3.14 2.39 -3.55 1.06 5.02 -0.25 -4.98 118.16 114.70 1jt7 n LYS 105 Ca -0.01 -2.08 -0.22 0.00 -2.02 0.00 0.00 58.31 53.98 1jt7 n LYS 105 Cb 0.21 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.41 -3.63 -4.64 4.39 4.13 -0.74 -4.96 115.26 111.22 1jt7 n ASN 106 Ca 0.16 -0.82 -0.38 0.00 1.68 0.00 0.00 54.58 55.22 1jt7 n ASN 106 Cb 0.60 -4.29 -0.09 0.00 -1.54 0.00 0.00 39.78 34.46 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 -3.52 3.30 0.33 3.10 0.52 -1.23 -4.50 118.94 116.94 1jt7 s TRP 107 Ca 0.23 0.47 0.09 0.00 0.02 0.00 0.00 56.10 56.91 1jt7 s TRP 107 Cb -0.06 -2.52 -0.05 0.00 -1.15 0.00 0.00 33.47 29.69 1jt7 s TRP 107 CO 0.80 -0.12 0.01 -0.06 0.02 0.00 0.00 176.95 177.60 1jt7 s PHE 108 N 1.69 2.56 0.16 -1.98 0.40 -1.26 -0.86 117.98 118.68 1jt7 s PHE 108 Ca 0.16 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.80 1jt7 s PHE 108 Cb -0.15 -1.44 -0.07 0.00 0.51 0.00 0.00 43.02 41.87 1jt7 s PHE 108 CO 0.09 0.50 0.91 -1.17 0.70 0.00 0.00 175.22 176.25 1jt7 s LEU 109 N -3.71 4.56 -0.11 -0.37 2.96 -0.19 -4.67 118.68 117.15 1jt7 s LEU 109 Ca 0.34 1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 55.75 1jt7 s LEU 109 Cb -0.01 -3.53 0.09 0.00 0.50 0.00 0.00 46.19 43.24 1jt7 s LEU 109 CO 0.19 0.05 0.80 -0.83 -1.32 0.00 0.00 176.35 175.25 1jt7 s GLY 110 N -0.55 -0.46 -0.08 7.98 0.00 -1.26 -4.43 107.32 108.52 1jt7 s GLY 110 Ca 0.43 1.67 0.05 0.00 0.00 0.00 0.00 44.72 46.86 1jt7 s GLY 110 CO 0.30 1.09 -0.24 1.08 0.00 0.00 0.00 173.10 175.32 1jt7 s LEU 111 N -0.96 2.08 0.94 0.66 1.43 -0.71 -0.78 118.68 121.33 1jt7 s LEU 111 Ca -0.07 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 1jt7 s LEU 111 Cb -0.01 -1.39 0.15 0.00 0.03 0.00 0.00 46.19 44.98 1jt7 s LEU 111 CO 0.06 0.19 1.13 -0.54 0.23 0.00 0.00 176.35 177.42 1jt7 s LYS 112 N 0.16 0.93 0.57 1.70 1.02 0.07 -4.48 119.74 119.70 1jt7 s LYS 112 Ca -0.13 0.30 0.29 0.00 0.02 0.00 0.00 55.97 56.44 1jt7 s LYS 112 Cb -0.16 -1.81 1.70 0.00 -0.52 0.00 0.00 37.83 37.03 1jt7 s LYS 112 CO 0.07 -2.34 2.20 0.87 -0.92 0.00 0.00 175.35 175.22 1jt7 h LYS 113 N -1.60 0.00 -0.01 1.68 1.57 -1.88 -1.55 116.57 114.78 1jt7 h LYS 113 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1jt7 h LYS 113 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1jt7 h LYS 113 CO 0.60 0.04 -0.00 0.27 -0.57 0.00 0.00 179.45 179.79 1jt7 n ASN 114 N -3.80 0.76 0.00 0.86 0.23 -1.26 -4.60 115.26 107.45 1jt7 n ASN 114 Ca -0.03 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 1jt7 n ASN 114 Cb 0.13 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 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 1.10 0.72 3.84 4.83 0.00 -0.58 -5.00 105.19 110.10 1jt7 n GLY 115 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.99 6.83 0.50 1.61 1.04 -1.26 0.03 113.70 119.46 1jt7 s SER 116 Ca 0.00 1.03 -0.21 0.00 0.48 0.00 0.00 55.95 57.25 1jt7 s SER 116 Cb 0.00 -2.27 -0.07 0.00 0.10 0.00 0.00 66.02 63.78 1jt7 s SER 116 CO 0.00 0.20 1.16 0.00 0.98 0.00 0.00 173.24 175.58 1jt7 s LYS 118 N -2.95 3.73 0.18 0.00 1.02 0.03 -4.83 119.74 116.94 1jt7 s LYS 118 Ca 0.68 0.24 -0.24 0.00 0.02 0.00 0.00 55.97 56.67 1jt7 s LYS 118 Cb -0.28 -2.56 -0.08 0.00 -0.52 0.00 0.00 37.83 34.39 1jt7 s LYS 118 CO 0.33 0.16 0.77 0.50 -0.92 0.00 0.00 175.35 176.18 1jt7 s ARG 119 N -3.45 4.50 0.09 1.68 3.52 -1.26 -4.69 118.95 119.33 1jt7 s ARG 119 Ca 0.47 1.10 -0.17 0.00 -0.13 0.00 0.00 55.73 57.01 1jt7 s ARG 119 Cb -0.11 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1jt7 s ARG 119 CO 0.28 0.52 0.88 0.41 -0.81 0.00 0.00 175.30 176.58 1jt7 n GLY 120 N 1.37 -1.54 0.15 8.12 0.00 0.31 -0.13 105.19 113.47 1jt7 n GLY 120 Ca -0.05 0.67 0.12 0.00 0.00 0.00 0.00 46.02 46.76 1jt7 n GLY 120 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jt7 n PRO 121 N -4.60 0.17 0.00 1.61 -0.02 -1.26 -1.54 135.00 129.36 1jt7 n PRO 121 Ca 0.01 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 1jt7 n PRO 121 Cb 0.14 -1.91 0.46 0.00 -0.02 0.00 0.00 33.50 32.17 1jt7 n PRO 121 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jt7 n ARG 122 N -2.25 0.30 -3.59 -0.52 5.12 0.82 -4.86 116.66 111.67 1jt7 n ARG 122 Ca 0.01 -0.12 -0.23 0.00 -1.93 0.00 0.00 57.85 55.57 1jt7 n ARG 122 Cb 0.15 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.93 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 -2.79 5.16 -0.17 0.55 -4.23 -0.59 -4.96 115.64 108.62 1jt7 s THR 123 Ca 0.19 -0.64 -0.33 0.00 -1.18 0.00 0.00 61.69 59.73 1jt7 s THR 123 Cb 0.19 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 70.31 1jt7 s THR 123 CO 0.57 -0.47 1.14 -1.38 -0.54 0.00 0.00 174.62 173.94 1jt7 s HIS 124 N -2.19 -0.19 0.48 3.99 -3.43 -1.26 -4.82 115.29 107.87 1jt7 s HIS 124 Ca 0.38 0.18 -0.23 0.00 -0.80 0.00 0.00 55.06 54.59 1jt7 s HIS 124 Cb -0.09 0.51 -0.08 0.00 -1.43 0.00 0.00 32.58 31.48 1jt7 s HIS 124 CO 0.33 -0.26 1.19 0.66 -2.00 0.00 0.00 174.74 174.67 1jt7 n TYR 125 N 0.08 1.78 0.00 0.38 4.01 -1.26 -2.62 117.16 119.53 1jt7 n TYR 125 Ca -0.03 0.48 0.00 0.00 -0.16 0.00 0.00 57.90 58.19 1jt7 n TYR 125 Cb 0.59 -2.31 0.00 0.00 -0.31 0.00 0.00 39.34 37.31 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 0.94 1.54 3.86 2.72 0.00 -1.26 -5.06 105.19 107.93 1jt7 n GLY 126 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.96 3.84 0.28 1.61 -0.21 -1.08 -4.97 119.66 118.18 1jt7 s GLN 127 Ca 0.00 0.64 0.18 0.00 0.02 0.00 0.00 55.36 56.20 1jt7 s GLN 127 Cb 0.00 -2.31 0.10 0.00 1.00 0.00 0.00 33.01 31.81 1jt7 s GLN 127 CO 0.00 -0.11 1.35 0.87 -2.12 0.00 0.00 175.29 175.28 1jt7 h LYS 128 N 1.18 0.00 0.00 2.91 1.79 -1.97 -3.32 116.57 117.16 1jt7 h LYS 128 Ca -0.47 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 1jt7 h LYS 128 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1jt7 h LYS 128 CO 0.63 0.27 -0.04 0.00 -1.08 0.00 0.00 179.45 179.23 1jt7 h ALA 129 N 1.69 1.44 -0.01 3.86 0.00 -1.94 -2.51 119.26 121.79 1jt7 h ALA 129 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jt7 h ALA 129 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jt7 h ALA 129 CO 0.04 0.05 -0.12 0.44 0.00 0.00 0.00 179.25 179.66 1jt7 n ILE 130 N -3.78 0.00 -3.15 0.00 -5.35 -1.25 -1.74 119.36 104.10 1jt7 n ILE 130 Ca -0.03 -0.14 -0.40 0.00 -0.27 0.00 0.00 62.75 61.91 1jt7 n ILE 130 Cb 0.13 0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.22 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 -2.30 4.07 0.09 7.28 1.43 -0.94 -4.43 118.68 123.88 1jt7 s LEU 131 Ca 0.31 0.67 0.09 0.00 -1.03 0.00 0.00 54.13 54.18 1jt7 s LEU 131 Cb 0.20 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1jt7 s LEU 131 CO 0.44 -0.33 -0.25 -0.36 0.23 0.00 0.00 176.35 176.08 1jt7 s PHE 132 N 2.34 2.14 -0.23 0.29 0.40 -0.30 -2.15 117.98 120.46 1jt7 s PHE 132 Ca 0.25 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1jt7 s PHE 132 Cb -0.16 -1.21 0.05 0.00 0.51 0.00 0.00 43.02 42.21 1jt7 s PHE 132 CO 0.09 0.22 -0.13 -1.17 0.70 0.00 0.00 175.22 174.93 1jt7 s LEU 133 N -1.67 2.94 -0.21 -0.37 2.96 -0.16 0.05 118.68 122.22 1jt7 s LEU 133 Ca 0.11 -1.15 -0.29 0.00 -0.22 0.00 0.00 54.13 52.58 1jt7 s LEU 133 Cb -0.10 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1jt7 s LEU 133 CO 0.04 -0.14 1.29 -2.16 -1.32 0.00 0.00 176.35 174.05 1jt7 s PRO 134 N 1.20 4.12 0.22 0.98 0.04 -1.26 -1.42 135.00 138.88 1jt7 s PRO 134 Ca -0.05 1.54 0.08 0.00 0.04 0.00 0.00 61.00 62.61 1jt7 s PRO 134 Cb -0.18 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 1jt7 s PRO 134 CO -0.07 -0.85 0.04 -0.51 0.04 0.00 0.00 177.00 175.65 1jt7 s LEU 135 N 3.82 3.41 0.46 -3.56 1.43 0.97 -4.88 118.68 120.32 1jt7 s LEU 135 Ca 0.56 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 1jt7 s LEU 135 Cb -0.20 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 43.95 1jt7 s LEU 135 CO 0.18 0.04 1.20 -2.84 0.23 0.00 0.00 176.35 175.15 1jt7 s PRO 136 N -3.34 3.75 0.00 1.29 0.01 -1.26 -0.01 135.00 135.44 1jt7 s PRO 136 Ca 0.30 1.86 0.31 0.00 0.01 0.00 0.00 61.00 63.48 1jt7 s PRO 136 Cb -0.08 -2.45 1.77 0.00 0.01 0.00 0.00 34.50 33.74 1jt7 s PRO 136 CO 0.20 -0.59 2.15 0.28 0.01 0.00 0.00 177.00 179.06