#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jt4 n PHE 1 N 0.00 1.10 -2.68 -1.40 7.35 -1.26 -5.01 117.46 115.56 1jt4 n PHE 1 Ca 0.00 -1.68 -0.43 0.00 -0.76 0.00 0.00 57.45 54.59 1jt4 n PHE 1 Cb 0.00 -0.26 -0.02 0.00 0.35 0.00 0.00 39.48 39.55 1jt4 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1jt4 s ASN 2 N -3.25 6.95 -0.01 -2.13 0.01 -1.26 -5.01 114.94 110.24 1jt4 s ASN 2 Ca 0.40 1.10 -0.02 0.00 -0.71 0.00 0.00 52.86 53.63 1jt4 s ASN 2 Cb 0.38 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.47 1jt4 s ASN 2 CO -0.04 -0.79 0.17 -0.76 -1.51 0.00 0.00 177.10 174.16 1jt4 s LEU 3 N 3.44 4.30 0.57 0.60 1.43 -1.26 -0.97 118.68 126.80 1jt4 s LEU 3 Ca 0.43 0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.71 1jt4 s LEU 3 Cb -0.13 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 1jt4 s LEU 3 CO 0.12 0.26 1.02 -2.16 0.23 0.00 0.00 176.35 175.83 1jt4 s PRO 4 N -1.91 3.62 0.64 1.29 0.04 -1.26 -4.63 135.00 132.79 1jt4 s PRO 4 Ca 0.27 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 1jt4 s PRO 4 Cb -0.13 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1jt4 s PRO 4 CO 0.18 -0.55 1.04 -1.25 0.04 0.00 0.00 177.00 176.46 1jt4 s PRO 5 N -4.41 3.40 0.00 0.56 0.04 -1.26 -4.94 135.00 128.40 1jt4 s PRO 5 Ca 0.59 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1jt4 s PRO 5 Cb -0.12 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1jt4 s PRO 5 CO 0.40 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1jt4 n GLY 6 N -2.44 1.47 3.55 0.56 0.00 -1.26 -5.13 105.19 101.94 1jt4 n GLY 6 Ca 0.07 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 1jt4 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jt4 s ASN 7 N 0.00 0.72 -0.05 1.61 2.20 -1.26 -5.06 114.94 113.10 1jt4 s ASN 7 Ca 0.00 -1.41 0.13 0.00 -0.94 0.00 0.00 52.86 50.64 1jt4 s ASN 7 Cb 0.00 0.70 0.39 0.00 -2.00 0.00 0.00 41.25 40.33 1jt4 s ASN 7 CO 0.00 -1.37 1.32 -1.22 -2.94 0.00 0.00 177.10 172.89 1jt4 n TYR 8 N -0.55 0.64 -0.22 1.54 4.01 -1.26 -4.70 117.16 116.62 1jt4 n TYR 8 Ca -0.01 -0.60 -0.01 0.00 -0.16 0.00 0.00 57.90 57.13 1jt4 n TYR 8 Cb 0.61 -0.11 0.06 0.00 -0.31 0.00 0.00 39.34 39.60 1jt4 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1jt4 h LYS 9 N 2.12 -0.01 -6.07 -0.72 1.57 -1.97 -3.43 116.57 108.06 1jt4 h LYS 9 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1jt4 h LYS 9 Cb 0.94 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.16 1jt4 h LYS 9 CO 0.07 -0.01 -0.61 0.15 -0.57 0.00 0.00 179.45 178.48 1jt4 s LYS 10 N -6.22 2.16 0.99 3.15 1.02 -1.26 -5.08 119.74 114.49 1jt4 s LYS 10 Ca -0.14 -1.66 -0.13 0.00 0.02 0.00 0.00 55.97 54.07 1jt4 s LYS 10 Cb 0.19 -2.01 0.18 0.00 -0.52 0.00 0.00 37.83 35.67 1jt4 s LYS 10 CO 0.74 0.17 1.11 -2.14 -0.92 0.00 0.00 175.35 174.30 1jt4 s PRO 11 N -3.73 0.51 0.28 -1.68 0.02 -1.26 -4.70 135.00 124.43 1jt4 s PRO 11 Ca 0.35 0.42 -0.20 0.00 0.02 0.00 0.00 61.00 61.59 1jt4 s PRO 11 Cb -0.02 -1.75 0.05 0.00 0.02 0.00 0.00 34.50 32.80 1jt4 s PRO 11 CO 0.20 -2.65 0.86 -1.59 -0.33 0.00 0.00 177.00 173.48 1jt4 s LYS 12 N -5.06 1.78 0.06 5.54 -2.85 0.12 -4.30 119.74 115.03 1jt4 s LYS 12 Ca 0.65 -1.09 0.04 0.00 -1.00 0.00 0.00 55.97 54.57 1jt4 s LYS 12 Cb -0.17 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1jt4 s LYS 12 CO 0.56 -0.83 -0.03 -0.51 0.10 0.00 0.00 175.35 174.65 1jt4 s LEU 13 N -3.09 3.36 -0.37 2.77 1.43 0.52 -1.13 118.68 122.16 1jt4 s LEU 13 Ca 0.15 -0.17 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1jt4 s LEU 13 Cb -0.04 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.20 1jt4 s LEU 13 CO 0.08 0.21 0.15 -0.76 0.23 0.00 0.00 176.35 176.26 1jt4 s LEU 14 N -2.00 4.68 -0.29 1.79 1.43 -1.26 0.02 118.68 123.05 1jt4 s LEU 14 Ca 0.22 -1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 51.72 1jt4 s LEU 14 Cb -0.11 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1jt4 s LEU 14 CO 0.14 -0.42 0.40 -0.47 0.23 0.00 0.00 176.35 176.23 1jt4 s TYR 15 N 1.33 3.23 -0.20 0.29 5.04 0.20 -1.32 117.35 125.91 1jt4 s TYR 15 Ca 0.01 0.32 -0.24 0.00 -2.44 0.00 0.00 57.07 54.72 1jt4 s TYR 15 Cb -0.21 -2.64 -0.01 0.00 0.35 0.00 0.00 41.96 39.44 1jt4 s TYR 15 CO 0.00 -0.31 0.81 0.00 -1.34 0.00 0.00 175.55 174.72 1jt4 h SER 17 N 7.48 1.04 -0.48 0.00 0.02 -1.41 0.16 113.55 120.36 1jt4 h SER 17 Ca -0.27 -0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1jt4 h SER 17 Cb 1.12 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.35 1jt4 h SER 17 CO 0.84 0.73 -0.29 -3.20 -1.14 0.00 0.00 176.83 173.78 1jt4 n ASN 18 N -4.42 -0.51 0.00 3.07 5.15 -1.20 -3.26 115.26 114.08 1jt4 n ASN 18 Ca 0.12 1.27 0.00 0.00 -0.60 0.00 0.00 54.58 55.37 1jt4 n ASN 18 Cb 0.06 -0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.00 1jt4 n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jt4 n GLY 19 N -1.12 -0.50 1.88 8.20 0.00 -1.24 -4.74 105.19 107.67 1jt4 n GLY 19 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1jt4 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jt4 n GLY 20 N -0.09 0.45 3.66 -0.02 0.00 0.56 -5.00 105.19 104.75 1jt4 n GLY 20 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1jt4 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jt4 s HIS 21 N -3.08 2.90 -0.07 1.61 3.76 -1.14 -4.62 115.29 114.65 1jt4 s HIS 21 Ca 0.09 -0.08 -0.18 0.00 -0.15 0.00 0.00 55.06 54.74 1jt4 s HIS 21 Cb -0.04 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 32.13 1jt4 s HIS 21 CO 0.18 0.48 0.49 -0.06 -0.85 0.00 0.00 174.74 174.98 1jt4 s PHE 22 N -1.39 3.59 0.16 1.40 0.08 -0.23 -0.40 117.98 121.18 1jt4 s PHE 22 Ca 0.25 0.98 -0.31 0.00 0.12 0.00 0.00 56.93 57.97 1jt4 s PHE 22 Cb -0.11 -2.52 -0.11 0.00 -0.57 0.00 0.00 43.02 39.72 1jt4 s PHE 22 CO 0.17 0.30 1.73 -1.17 -0.10 0.00 0.00 175.22 176.15 1jt4 s LEU 23 N 0.11 4.38 -0.05 -0.37 2.96 -0.44 -0.55 118.68 124.73 1jt4 s LEU 23 Ca 0.27 2.76 0.05 0.00 -0.22 0.00 0.00 54.13 56.98 1jt4 s LEU 23 Cb -0.16 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1jt4 s LEU 23 CO 0.12 -0.95 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.41 1jt4 s ARG 24 N 1.81 2.03 -0.41 1.98 3.52 0.51 -4.48 118.95 123.91 1jt4 s ARG 24 Ca 0.76 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 55.65 1jt4 s ARG 24 Cb -0.47 -1.74 0.11 0.00 -1.56 0.00 0.00 34.95 31.30 1jt4 s ARG 24 CO 0.33 0.28 0.19 0.42 -0.81 0.00 0.00 175.30 175.71 1jt4 s ILE 25 N 0.00 3.15 0.76 4.11 1.01 -1.00 -0.48 121.20 128.76 1jt4 s ILE 25 Ca -0.04 -2.16 -0.12 0.00 0.00 0.00 0.00 60.65 58.33 1jt4 s ILE 25 Cb -0.12 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.22 1jt4 s ILE 25 CO 0.03 -0.69 1.12 -0.76 0.00 0.00 0.00 174.94 174.63 1jt4 s LEU 26 N 1.04 3.12 0.55 2.97 1.43 0.14 -4.87 118.68 123.05 1jt4 s LEU 26 Ca 0.09 1.98 0.30 0.00 -1.03 0.00 0.00 54.13 55.46 1jt4 s LEU 26 Cb -0.22 -4.54 1.59 0.00 0.03 0.00 0.00 46.19 43.05 1jt4 s LEU 26 CO -0.05 -2.12 2.12 1.55 0.23 0.00 0.00 176.35 178.08 1jt4 h PRO 27 N -0.87 0.00 -0.09 1.29 0.14 -1.99 -0.82 132.00 129.66 1jt4 h PRO 27 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1jt4 h PRO 27 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.39 1jt4 h PRO 27 CO 0.50 0.08 0.00 -0.40 0.14 0.00 0.00 178.00 178.33 1jt4 n ASP 28 N -3.58 0.72 0.00 1.44 5.75 -1.26 -4.85 116.55 114.78 1jt4 n ASP 28 Ca -0.02 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 1jt4 n ASP 28 Cb 0.20 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1jt4 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jt4 n GLY 29 N 0.90 0.82 3.78 6.12 0.00 -0.31 -4.95 105.19 111.53 1jt4 n GLY 29 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1jt4 n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jt4 s THR 30 N -3.16 3.96 -0.07 2.61 -1.32 -1.25 -0.39 115.64 116.02 1jt4 s THR 30 Ca 0.00 1.62 0.05 0.00 -1.21 0.00 0.00 61.69 62.15 1jt4 s THR 30 Cb 0.00 -3.89 -0.00 0.00 -1.51 0.00 0.00 72.50 67.09 1jt4 s THR 30 CO 0.00 0.12 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.62 1jt4 s VAL 31 N -1.58 1.91 0.00 5.08 1.01 -1.26 0.23 120.40 125.79 1jt4 s VAL 31 Ca 0.52 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1jt4 s VAL 31 Cb -0.21 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1jt4 s VAL 31 CO 0.27 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 175.00 1jt4 n ASP 32 N 3.26 0.00 -4.08 3.32 5.75 0.37 -4.34 116.55 120.83 1jt4 n ASP 32 Ca -0.19 -0.07 -0.13 0.00 -0.01 0.00 0.00 54.79 54.40 1jt4 n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1jt4 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jt4 s GLY 33 N -0.19 0.54 0.01 6.12 0.00 -0.32 0.19 107.32 113.68 1jt4 s GLY 33 Ca 0.00 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1jt4 s GLY 33 CO 0.00 -0.91 -0.04 -1.08 0.00 0.00 0.00 173.10 171.07 1jt4 s THR 34 N -1.71 0.26 -1.45 0.90 -1.32 0.29 -4.80 115.64 107.82 1jt4 s THR 34 Ca -0.07 -0.50 0.29 0.00 -1.21 0.00 0.00 61.69 60.20 1jt4 s THR 34 Cb -0.08 -0.29 0.46 0.00 -1.51 0.00 0.00 72.50 71.08 1jt4 s THR 34 CO -0.00 -0.16 1.95 0.54 -2.21 0.00 0.00 174.62 174.73 1jt4 n ARG 35 N 2.36 0.46 -2.62 7.08 1.74 -1.26 -1.07 116.66 123.35 1jt4 n ARG 35 Ca -0.17 -0.08 -0.42 0.00 -0.77 0.00 0.00 57.85 56.41 1jt4 n ARG 35 Cb 0.57 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1jt4 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jt4 s ASP 36 N -2.59 6.21 0.64 0.55 2.15 -1.26 -4.86 116.67 117.51 1jt4 s ASP 36 Ca 0.27 -0.45 0.37 0.00 0.43 0.00 0.00 52.55 53.17 1jt4 s ASP 36 Cb 0.20 -2.53 2.07 0.00 -0.30 0.00 0.00 42.92 42.35 1jt4 s ASP 36 CO 0.48 -1.69 2.23 -0.09 -0.17 0.00 0.00 175.17 175.93 1jt4 h ARG 37 N 9.85 0.00 -0.00 4.34 2.43 -2.01 0.14 114.38 129.13 1jt4 h ARG 37 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1jt4 h ARG 37 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1jt4 h ARG 37 CO 1.24 0.00 -0.34 -1.13 -1.51 0.00 0.00 179.97 178.23 1jt4 n SER 38 N -3.29 0.45 -4.61 -3.80 3.41 -1.26 -4.92 113.62 99.60 1jt4 n SER 38 Ca -0.02 -0.19 -0.52 0.00 -0.26 0.00 0.00 58.87 57.88 1jt4 n SER 38 Cb 0.17 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 1jt4 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jt4 n ASP 39 N -1.36 1.91 0.00 4.04 -0.08 0.49 -4.86 116.55 116.68 1jt4 n ASP 39 Ca 0.07 1.11 0.14 0.00 -1.51 0.00 0.00 54.79 54.60 1jt4 n ASP 39 Cb 0.33 -1.22 0.72 0.00 2.34 0.00 0.00 41.12 43.29 1jt4 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jt4 n GLN 40 N 2.87 0.50 -0.38 -0.67 -0.00 -1.26 -3.50 117.38 114.94 1jt4 n GLN 40 Ca 0.19 0.02 0.08 0.00 -0.00 0.00 0.00 57.00 57.29 1jt4 n GLN 40 Cb 0.20 -1.50 0.25 0.00 -0.00 0.00 0.00 30.24 29.19 1jt4 n GLN 40 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1jt4 n HIS 41 N -1.22 0.92 0.82 2.61 8.25 -1.26 -4.40 115.22 120.93 1jt4 n HIS 41 Ca 0.15 -0.61 0.10 0.00 -0.26 0.00 0.00 57.72 57.09 1jt4 n HIS 41 Cb 0.19 -0.15 0.05 0.00 1.12 0.00 0.00 29.99 31.21 1jt4 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1jt4 n ILE 42 N 0.61 0.00 -2.69 1.59 -5.35 -1.23 -2.37 119.36 109.92 1jt4 n ILE 42 Ca 0.19 -0.43 -0.43 0.00 -0.27 0.00 0.00 62.75 61.81 1jt4 n ILE 42 Cb 0.68 1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 39.89 1jt4 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jt4 s GLN 43 N -1.82 3.86 0.01 6.28 1.11 -1.26 -4.51 119.66 123.33 1jt4 s GLN 43 Ca 0.20 0.70 0.07 0.00 0.01 0.00 0.00 55.36 56.34 1jt4 s GLN 43 Cb 0.16 -3.82 -0.03 0.00 -1.01 0.00 0.00 33.01 28.31 1jt4 s GLN 43 CO 0.33 -1.08 -0.21 -0.51 0.01 0.00 0.00 175.29 173.83 1jt4 s LEU 44 N 3.85 2.42 -0.26 2.90 1.43 -0.29 -1.33 118.68 127.40 1jt4 s LEU 44 Ca 0.43 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1jt4 s LEU 44 Cb -0.10 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1jt4 s LEU 44 CO 0.22 0.29 0.02 -1.58 0.23 0.00 0.00 176.35 175.52 1jt4 s GLN 45 N -1.10 3.15 0.19 1.70 2.00 0.86 0.14 119.66 126.60 1jt4 s GLN 45 Ca 0.12 -0.79 -0.05 0.00 -2.00 0.00 0.00 55.36 52.64 1jt4 s GLN 45 Cb -0.10 -3.19 -0.05 0.00 0.80 0.00 0.00 33.01 30.46 1jt4 s GLN 45 CO 0.02 -0.35 0.43 -0.51 -0.50 0.00 0.00 175.29 174.39 1jt4 s LEU 46 N 1.46 4.21 -0.07 3.68 1.02 -1.26 -0.96 118.68 126.75 1jt4 s LEU 46 Ca 0.03 0.62 -0.22 0.00 0.02 0.00 0.00 54.13 54.58 1jt4 s LEU 46 Cb -0.16 -3.37 0.05 0.00 0.02 0.00 0.00 46.19 42.72 1jt4 s LEU 46 CO -0.00 -0.03 0.50 -0.94 0.02 0.00 0.00 176.35 175.90 1jt4 s SER 47 N -2.69 -0.45 0.41 2.29 1.04 -0.92 -4.77 113.70 108.60 1jt4 s SER 47 Ca 0.42 0.57 -0.04 0.00 0.48 0.00 0.00 55.95 57.38 1jt4 s SER 47 Cb -0.12 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1jt4 s SER 47 CO 0.26 -0.44 0.68 0.00 0.98 0.00 0.00 173.24 174.72 1jt4 s ALA 48 N -0.86 3.51 0.00 5.32 0.00 -1.26 -0.58 121.76 127.90 1jt4 s ALA 48 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1jt4 s ALA 48 Cb -0.03 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1jt4 s ALA 48 CO 0.05 -0.14 0.00 -1.91 0.00 0.00 0.00 175.76 173.76 1jt4 n GLU 49 N -1.86 0.00 -2.22 0.00 4.07 -0.54 -4.88 120.64 115.21 1jt4 n GLU 49 Ca -0.01 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.82 1jt4 n GLU 49 Cb 0.55 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 32.04 1jt4 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1jt4 s SER 50 N 0.61 4.25 0.20 4.31 0.01 -1.26 -4.89 113.70 116.92 1jt4 s SER 50 Ca 0.00 0.21 -0.32 0.00 1.31 0.00 0.00 55.95 57.15 1jt4 s SER 50 Cb 0.00 -0.64 -0.12 0.00 0.21 0.00 0.00 66.02 65.47 1jt4 s SER 50 CO 0.00 -1.97 1.73 0.52 0.41 0.00 0.00 173.24 173.94 1jt4 n VAL 51 N -3.13 0.04 -0.61 3.43 0.31 -1.26 -1.12 118.33 115.99 1jt4 n VAL 51 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1jt4 n VAL 51 Cb 0.60 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1jt4 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jt4 n GLY 52 N 3.99 0.90 3.54 2.92 0.00 -1.26 -5.04 105.19 110.23 1jt4 n GLY 52 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1jt4 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jt4 s GLU 53 N -0.35 3.25 0.09 1.61 2.02 -0.27 -1.31 118.70 123.74 1jt4 s GLU 53 Ca 0.00 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.49 1jt4 s GLU 53 Cb 0.00 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 1jt4 s GLU 53 CO 0.00 0.44 -0.08 0.14 0.02 0.00 0.00 175.26 175.78 1jt4 s VAL 54 N -0.19 0.80 -0.02 2.63 -7.23 0.16 -1.47 120.40 115.08 1jt4 s VAL 54 Ca 0.03 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1jt4 s VAL 54 Cb -0.13 -1.39 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 1jt4 s VAL 54 CO 0.03 -0.66 -0.02 -0.31 -0.31 0.00 0.00 175.10 173.83 1jt4 s TYR 55 N -2.76 3.04 -0.31 2.82 2.02 0.26 -1.21 117.35 121.21 1jt4 s TYR 55 Ca 0.06 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 1jt4 s TYR 55 Cb -0.01 -1.68 0.09 0.00 -0.40 0.00 0.00 41.96 39.96 1jt4 s TYR 55 CO -0.02 0.44 0.02 0.42 -1.57 0.00 0.00 175.55 174.84 1jt4 s ILE 56 N -1.02 1.91 -0.06 2.71 1.01 -1.26 -2.16 121.20 122.31 1jt4 s ILE 56 Ca 0.18 -1.91 -0.02 0.00 0.00 0.00 0.00 60.65 58.90 1jt4 s ILE 56 Cb -0.11 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1jt4 s ILE 56 CO 0.08 -0.45 0.04 -0.75 0.00 0.00 0.00 174.94 173.86 1jt4 s LYS 57 N 1.13 3.04 -0.23 2.79 2.20 -0.14 -0.57 119.74 127.96 1jt4 s LYS 57 Ca 0.05 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.97 1jt4 s LYS 57 Cb -0.19 -2.85 0.01 0.00 -1.51 0.00 0.00 37.83 33.29 1jt4 s LYS 57 CO -0.10 0.69 1.02 0.45 -0.36 0.00 0.00 175.35 177.05 1jt4 s SER 58 N -1.16 7.07 0.21 1.43 0.15 0.03 -0.10 113.70 121.33 1jt4 s SER 58 Ca 0.16 1.35 -0.03 0.00 0.70 0.00 0.00 55.95 58.13 1jt4 s SER 58 Cb -0.12 -2.53 0.18 0.00 -1.71 0.00 0.00 66.02 61.85 1jt4 s SER 58 CO 0.06 -0.66 1.59 0.71 1.20 0.00 0.00 173.24 176.14 1jt4 h THR 59 N 5.45 1.29 0.12 6.45 1.35 -1.54 0.73 112.91 126.76 1jt4 h THR 59 Ca -0.19 -1.53 -0.01 0.00 -0.55 0.00 0.00 66.41 64.13 1jt4 h THR 59 Cb 1.06 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1jt4 h THR 59 CO 0.97 0.49 -0.06 -0.08 -0.25 0.00 0.00 175.52 176.59 1jt4 h GLU 60 N 0.53 -0.16 0.00 4.72 4.57 -1.81 -3.36 114.58 119.07 1jt4 h GLU 60 Ca 0.05 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1jt4 h GLU 60 Cb 0.88 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1jt4 h GLU 60 CO 0.08 0.05 -1.90 0.25 -1.18 0.00 0.00 179.01 176.31 1jt4 n THR 61 N -5.08 0.08 -0.79 0.32 -2.24 -1.23 -4.99 114.28 100.36 1jt4 n THR 61 Ca -0.08 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1jt4 n THR 61 Cb 0.16 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1jt4 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jt4 n GLY 62 N 1.45 0.87 3.81 3.38 0.00 0.25 -5.01 105.19 109.94 1jt4 n GLY 62 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1jt4 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jt4 s GLN 63 N -0.21 3.85 -0.13 1.61 -0.21 -1.25 -4.70 119.66 118.61 1jt4 s GLN 63 Ca 0.00 1.25 -0.07 0.00 0.02 0.00 0.00 55.36 56.56 1jt4 s GLN 63 Cb 0.00 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.86 1jt4 s GLN 63 CO 0.00 -0.38 0.13 0.71 -2.12 0.00 0.00 175.29 173.64 1jt4 s TYR 64 N -2.15 3.55 0.27 0.91 1.51 0.34 -0.79 117.35 121.00 1jt4 s TYR 64 Ca 0.65 0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 56.90 1jt4 s TYR 64 Cb -0.14 -1.96 -0.10 0.00 -0.11 0.00 0.00 41.96 39.65 1jt4 s TYR 64 CO 0.22 0.67 1.40 -1.17 -1.11 0.00 0.00 175.55 175.55 1jt4 s LEU 65 N -0.83 4.39 0.06 -1.29 2.96 0.27 -0.14 118.68 124.11 1jt4 s LEU 65 Ca 0.14 2.68 -0.07 0.00 -0.22 0.00 0.00 54.13 56.65 1jt4 s LEU 65 Cb -0.12 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1jt4 s LEU 65 CO 0.03 -0.66 0.14 0.00 -1.32 0.00 0.00 176.35 174.55 1jt4 s ALA 66 N -0.36 -0.13 -0.11 5.97 0.00 0.22 -4.39 121.76 122.96 1jt4 s ALA 66 Ca 0.56 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1jt4 s ALA 66 Cb -0.41 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1jt4 s ALA 66 CO 0.47 -0.42 -0.08 1.41 0.00 0.00 0.00 175.76 177.14 1jt4 s MET 67 N -3.29 1.51 0.95 0.00 1.75 -0.85 -0.28 119.30 119.09 1jt4 s MET 67 Ca 0.01 -0.25 -0.14 0.00 -1.25 0.00 0.00 55.69 54.05 1jt4 s MET 67 Cb 0.03 -1.57 0.20 0.00 2.84 0.00 0.00 34.83 36.33 1jt4 s MET 67 CO -0.08 -0.26 1.30 0.16 -0.65 0.00 0.00 175.02 175.49 1jt4 s ASP 68 N 1.68 3.12 0.43 1.11 1.47 -0.17 -4.81 116.67 119.51 1jt4 s ASP 68 Ca 0.04 0.11 0.30 0.00 1.18 0.00 0.00 52.55 54.18 1jt4 s ASP 68 Cb -0.13 -0.14 1.48 0.00 -0.34 0.00 0.00 42.92 43.80 1jt4 s ASP 68 CO -0.08 -2.71 1.91 0.71 0.68 0.00 0.00 175.17 175.67 1jt4 h THR 69 N -1.56 0.00 -0.05 2.11 1.35 -2.01 0.25 112.91 113.00 1jt4 h THR 69 Ca -0.43 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1jt4 h THR 69 Cb 1.23 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1jt4 h THR 69 CO 0.35 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.09 1jt4 n ASP 70 N -2.60 1.94 0.00 5.36 8.00 -1.26 -4.92 116.55 123.07 1jt4 n ASP 70 Ca -0.01 -1.66 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1jt4 n ASP 70 Cb 0.13 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1jt4 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jt4 n GLY 71 N 1.22 0.53 3.86 0.44 0.00 0.86 -4.62 105.19 107.49 1jt4 n GLY 71 Ca 0.18 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1jt4 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jt4 s LEU 72 N 0.00 4.41 0.40 0.99 1.43 -1.26 0.05 118.68 124.71 1jt4 s LEU 72 Ca 0.00 0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 53.54 1jt4 s LEU 72 Cb 0.00 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.90 1jt4 s LEU 72 CO 0.00 0.38 0.86 -0.76 0.23 0.00 0.00 176.35 177.06 1jt4 s LEU 73 N -1.01 3.93 0.21 1.79 1.43 -1.26 -1.00 118.68 122.78 1jt4 s LEU 73 Ca 0.18 1.48 -0.22 0.00 -1.03 0.00 0.00 54.13 54.54 1jt4 s LEU 73 Cb -0.13 -4.33 0.05 0.00 0.03 0.00 0.00 46.19 41.80 1jt4 s LEU 73 CO 0.07 -0.34 0.65 -0.72 0.23 0.00 0.00 176.35 176.23 1jt4 s TYR 74 N -2.19 -0.37 -0.25 0.29 1.13 0.62 -4.61 117.35 111.97 1jt4 s TYR 74 Ca 0.58 0.05 -0.16 0.00 -1.41 0.00 0.00 57.07 56.12 1jt4 s TYR 74 Cb -0.10 0.61 -0.03 0.00 -1.10 0.00 0.00 41.96 41.34 1jt4 s TYR 74 CO 0.19 -1.02 0.42 0.20 -2.51 0.00 0.00 175.55 172.83 1jt4 s GLY 75 N -2.83 1.91 -0.04 5.49 0.00 0.48 -0.61 107.32 111.72 1jt4 s GLY 75 Ca 0.06 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 1jt4 s GLY 75 CO -0.04 1.03 0.18 -0.45 0.00 0.00 0.00 173.10 173.82 1jt4 s SER 76 N 1.49 6.39 0.46 1.64 0.15 0.81 -4.75 113.70 119.89 1jt4 s SER 76 Ca 0.18 0.41 0.25 0.00 0.70 0.00 0.00 55.95 57.48 1jt4 s SER 76 Cb -0.16 -2.03 1.04 0.00 -1.71 0.00 0.00 66.02 63.17 1jt4 s SER 76 CO 0.09 0.30 1.88 1.56 1.20 0.00 0.00 173.24 178.28 1jt4 h GLN 77 N 4.17 0.00 -4.80 5.44 1.08 -1.92 0.99 115.11 120.06 1jt4 h GLN 77 Ca -0.51 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.40 1jt4 h GLN 77 Cb 1.20 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.44 1jt4 h GLN 77 CO 0.66 0.21 -0.73 0.95 -0.95 0.00 0.00 178.83 178.96 1jt4 s THR 78 N -3.77 0.77 -0.33 -0.54 -4.23 -1.26 -4.85 115.64 101.43 1jt4 s THR 78 Ca -0.00 -1.45 -0.22 0.00 -1.18 0.00 0.00 61.69 58.83 1jt4 s THR 78 Cb 0.11 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1jt4 s THR 78 CO 0.62 -0.52 0.72 -2.16 -0.54 0.00 0.00 174.62 172.75 1jt4 s PRO 79 N -2.42 3.83 0.02 3.99 0.04 -1.26 -4.76 135.00 134.43 1jt4 s PRO 79 Ca 0.00 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1jt4 s PRO 79 Cb -0.05 -3.77 -0.00 0.00 0.04 0.00 0.00 34.50 30.72 1jt4 s PRO 79 CO -0.00 -0.72 0.01 0.27 0.04 0.00 0.00 177.00 176.60 1jt4 n ASN 80 N 6.17 0.01 -0.28 6.66 0.23 -1.26 -4.99 115.26 121.79 1jt4 n ASN 80 Ca 0.02 -1.11 0.25 0.00 -0.53 0.00 0.00 54.58 53.20 1jt4 n ASN 80 Cb 0.48 0.08 0.58 0.00 -2.08 0.00 0.00 39.78 38.84 1jt4 n ASN 80 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1jt4 h GLU 81 N 0.00 0.27 0.00 -3.83 5.08 -1.99 0.36 114.58 114.48 1jt4 h GLU 81 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jt4 h GLU 81 Cb 0.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jt4 h GLU 81 CO 0.02 0.18 0.00 0.39 -1.00 0.00 0.00 179.01 178.60 1jt4 n GLU 82 N -4.48 0.27 0.00 2.33 1.02 -1.26 -3.27 120.64 115.25 1jt4 n GLU 82 Ca 0.23 0.07 0.11 0.00 -0.02 0.00 0.00 57.16 57.55 1jt4 n GLU 82 Cb 0.91 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.87 1jt4 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jt4 s LEU 84 N -2.05 4.31 0.11 0.00 1.43 -1.20 -4.47 118.68 116.81 1jt4 s LEU 84 Ca 0.22 1.01 0.10 0.00 -1.03 0.00 0.00 54.13 54.43 1jt4 s LEU 84 Cb 0.17 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1jt4 s LEU 84 CO 0.38 -0.04 -0.24 -0.36 0.23 0.00 0.00 176.35 176.33 1jt4 s PHE 85 N 0.60 2.05 -0.48 0.29 0.40 -0.35 -0.99 117.98 119.50 1jt4 s PHE 85 Ca 0.31 -0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 56.05 1jt4 s PHE 85 Cb -0.17 -1.12 0.04 0.00 0.51 0.00 0.00 43.02 42.29 1jt4 s PHE 85 CO 0.14 0.27 0.62 -0.51 0.70 0.00 0.00 175.22 176.44 1jt4 s LEU 86 N -1.96 4.80 -0.34 -0.37 1.43 0.17 -0.67 118.68 121.75 1jt4 s LEU 86 Ca 0.10 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 1jt4 s LEU 86 Cb -0.10 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.61 1jt4 s LEU 86 CO 0.05 -0.84 0.85 -0.70 0.23 0.00 0.00 176.35 175.95 1jt4 s GLU 87 N 2.66 3.89 0.13 1.70 2.12 -0.43 -1.48 118.70 127.30 1jt4 s GLU 87 Ca 0.17 0.57 0.06 0.00 0.36 0.00 0.00 54.97 56.14 1jt4 s GLU 87 Cb -0.17 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1jt4 s GLU 87 CO 0.14 -0.82 -0.15 1.03 -0.54 0.00 0.00 175.26 174.93 1jt4 s ARG 88 N 3.20 1.08 0.36 4.30 1.81 -0.28 -4.64 118.95 124.77 1jt4 s ARG 88 Ca 0.35 -1.28 -0.25 0.00 -1.72 0.00 0.00 55.73 52.83 1jt4 s ARG 88 Cb -0.13 -0.97 -0.10 0.00 -0.45 0.00 0.00 34.95 33.29 1jt4 s ARG 88 CO 0.15 0.19 0.97 -1.17 -0.68 0.00 0.00 175.30 174.76 1jt4 s LEU 89 N -2.54 4.23 -0.01 2.53 2.96 -0.14 -0.39 118.68 125.33 1jt4 s LEU 89 Ca 0.11 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 1jt4 s LEU 89 Cb -0.05 -4.14 0.01 0.00 0.50 0.00 0.00 46.19 42.50 1jt4 s LEU 89 CO 0.04 -0.20 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.16 1jt4 s GLU 90 N -2.35 0.12 -1.32 1.98 2.56 0.54 -4.80 118.70 115.43 1jt4 s GLU 90 Ca 0.54 -0.01 -0.04 0.00 0.00 0.00 0.00 54.97 55.46 1jt4 s GLU 90 Cb -0.17 -0.17 0.02 0.00 2.00 0.00 0.00 34.13 35.81 1jt4 s GLU 90 CO 0.22 -0.01 0.28 0.39 -0.56 0.00 0.00 175.26 175.58 1jt4 n GLU 91 N 3.30 -3.11 -2.24 4.30 1.02 -1.26 -0.88 120.64 121.77 1jt4 n GLU 91 Ca -0.16 0.68 -0.20 0.00 -0.02 0.00 0.00 57.16 57.46 1jt4 n GLU 91 Cb 0.57 -5.38 -0.02 0.00 -0.02 0.00 0.00 31.44 26.59 1jt4 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jt4 n ASN 92 N -2.13 -5.62 0.07 1.62 4.13 -1.26 -4.64 115.26 107.42 1jt4 n ASN 92 Ca -0.11 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1jt4 n ASN 92 Cb 0.60 -4.74 0.00 0.00 -1.54 0.00 0.00 39.78 34.10 1jt4 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1jt4 n HIS 93 N -3.63 -2.93 -2.07 3.10 -0.00 -0.06 -5.15 115.22 104.48 1jt4 n HIS 93 Ca -0.23 0.43 -0.28 0.00 -0.00 0.00 0.00 57.72 57.64 1jt4 n HIS 93 Cb 0.68 1.43 0.15 0.00 -0.00 0.00 0.00 29.99 32.24 1jt4 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1jt4 s TYR 94 N -2.00 1.84 -0.08 1.57 2.02 -0.20 -4.79 117.35 115.71 1jt4 s TYR 94 Ca 0.00 0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 1jt4 s TYR 94 Cb 0.00 -3.77 -0.03 0.00 -0.40 0.00 0.00 41.96 37.77 1jt4 s TYR 94 CO 0.00 -2.28 -0.09 -0.80 -1.57 0.00 0.00 175.55 170.81 1jt4 s ASN 95 N -4.80 4.42 0.12 2.29 -0.87 0.90 -0.34 114.94 116.66 1jt4 s ASN 95 Ca 0.70 -0.12 0.10 0.00 -1.57 0.00 0.00 52.86 51.97 1jt4 s ASN 95 Cb -0.05 -1.24 -0.04 0.00 -0.02 0.00 0.00 41.25 39.90 1jt4 s ASN 95 CO 0.50 0.30 -0.24 0.42 -2.57 0.00 0.00 177.10 175.51 1jt4 s THR 96 N -0.46 2.06 -0.23 1.60 -4.23 0.48 -0.94 115.64 113.92 1jt4 s THR 96 Ca 0.06 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1jt4 s THR 96 Cb -0.12 -1.85 0.06 0.00 1.34 0.00 0.00 72.50 71.94 1jt4 s THR 96 CO 0.02 0.02 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.78 1jt4 s TYR 97 N -1.15 2.11 -0.14 3.99 1.51 -1.26 -1.13 117.35 121.29 1jt4 s TYR 97 Ca 0.12 -1.59 -0.06 0.00 -1.01 0.00 0.00 57.07 54.52 1jt4 s TYR 97 Cb -0.10 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1jt4 s TYR 97 CO 0.06 -0.75 0.10 0.42 -1.11 0.00 0.00 175.55 174.27 1jt4 s ILE 98 N 1.49 5.12 0.08 2.71 1.01 -0.55 -1.06 121.20 130.00 1jt4 s ILE 98 Ca -0.04 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.37 1jt4 s ILE 98 Cb -0.18 -3.25 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 1jt4 s ILE 98 CO -0.07 0.56 1.90 -0.24 0.00 0.00 0.00 174.94 177.09 1jt4 n SER 99 N 2.51 4.10 -0.00 3.58 2.88 -0.24 0.44 113.62 126.88 1jt4 n SER 99 Ca -0.19 0.95 -0.12 0.00 -1.33 0.00 0.00 58.87 58.18 1jt4 n SER 99 Cb 0.54 -1.54 -0.07 0.00 -0.75 0.00 0.00 64.21 62.39 1jt4 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jt4 h LYS 100 N 9.43 0.08 -1.00 -1.46 3.64 -1.39 0.21 116.57 126.09 1jt4 h LYS 100 Ca -0.48 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 1jt4 h LYS 100 Cb 1.23 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.96 1jt4 h LYS 100 CO 0.95 0.28 0.64 -0.22 -2.27 0.00 0.00 179.45 178.82 1jt4 h LYS 101 N -0.13 1.04 -0.56 1.90 3.64 -1.77 -2.14 116.57 118.55 1jt4 h LYS 101 Ca 0.02 -0.06 -0.22 0.00 -1.27 0.00 0.00 60.65 59.12 1jt4 h LYS 101 Cb 0.23 -0.24 -0.13 0.00 -0.41 0.00 0.00 32.23 31.69 1jt4 h LYS 101 CO -0.00 0.69 0.17 0.72 -2.27 0.00 0.00 179.45 178.76 1jt4 n HIS 102 N -4.56 1.81 -0.25 1.91 8.25 -1.17 -4.72 115.22 116.49 1jt4 n HIS 102 Ca 0.17 -1.39 0.05 0.00 -0.26 0.00 0.00 57.72 56.30 1jt4 n HIS 102 Cb 0.28 -0.60 0.18 0.00 1.12 0.00 0.00 29.99 30.97 1jt4 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jt4 h ALA 103 N 1.63 0.98 -0.03 -1.41 0.00 -0.25 0.35 119.26 120.54 1jt4 h ALA 103 Ca 0.27 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1jt4 h ALA 103 Cb 2.03 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 1jt4 h ALA 103 CO 0.59 -0.30 0.07 1.05 0.00 0.00 0.00 179.25 180.65 1jt4 h GLU 104 N 0.32 0.00 -0.01 0.00 4.11 -1.84 -0.73 114.58 116.42 1jt4 h GLU 104 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1jt4 h GLU 104 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1jt4 h GLU 104 CO -0.48 0.00 -0.11 1.63 0.07 0.00 0.00 179.01 180.13 1jt4 n LYS 105 N -3.41 1.47 -3.52 1.06 5.02 0.12 -4.93 118.16 113.97 1jt4 n LYS 105 Ca -0.02 -0.95 -0.20 0.00 -2.02 0.00 0.00 58.31 55.12 1jt4 n LYS 105 Cb 0.15 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.76 1jt4 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jt4 n ASN 106 N 0.06 -3.98 -4.64 4.39 4.13 -0.28 -4.97 115.26 109.98 1jt4 n ASN 106 Ca 0.16 -0.59 -0.39 0.00 1.68 0.00 0.00 54.58 55.43 1jt4 n ASN 106 Cb 0.39 -5.04 -0.08 0.00 -1.54 0.00 0.00 39.78 33.51 1jt4 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1jt4 s TRP 107 N -3.35 3.31 0.29 3.10 0.51 -1.24 -4.48 118.94 117.08 1jt4 s TRP 107 Ca 0.27 0.59 0.11 0.00 -2.12 0.00 0.00 56.10 54.95 1jt4 s TRP 107 Cb -0.12 -2.62 -0.05 0.00 -0.81 0.00 0.00 33.47 29.87 1jt4 s TRP 107 CO 0.73 -0.17 -0.09 -0.06 -0.51 0.00 0.00 176.95 176.85 1jt4 s PHE 108 N 1.87 2.47 0.07 -1.98 0.40 -1.26 -1.08 117.98 118.47 1jt4 s PHE 108 Ca 0.19 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.89 1jt4 s PHE 108 Cb -0.15 -1.17 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 1jt4 s PHE 108 CO 0.09 0.64 1.13 -1.17 0.70 0.00 0.00 175.22 176.61 1jt4 s LEU 109 N -3.60 4.39 0.12 -0.37 2.96 -0.23 -4.53 118.68 117.42 1jt4 s LEU 109 Ca 0.32 1.95 -0.20 0.00 -0.22 0.00 0.00 54.13 55.98 1jt4 s LEU 109 Cb -0.04 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.12 1jt4 s LEU 109 CO 0.17 -0.38 0.51 -0.83 -1.32 0.00 0.00 176.35 174.50 1jt4 s GLY 110 N 0.83 -0.44 -0.02 7.98 0.00 -1.26 -4.46 107.32 109.96 1jt4 s GLY 110 Ca 0.56 0.32 0.05 0.00 0.00 0.00 0.00 44.72 45.65 1jt4 s GLY 110 CO 0.30 0.03 -0.16 1.08 0.00 0.00 0.00 173.10 174.35 1jt4 s LEU 111 N -2.55 2.01 0.76 0.66 1.43 -0.80 -0.75 118.68 119.43 1jt4 s LEU 111 Ca -0.00 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 1jt4 s LEU 111 Cb 0.00 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.46 1jt4 s LEU 111 CO -0.10 0.18 1.12 -0.54 0.23 0.00 0.00 176.35 177.25 1jt4 s LYS 112 N -0.30 2.38 0.49 1.70 1.02 0.25 -4.49 119.74 120.78 1jt4 s LYS 112 Ca 0.05 0.39 0.14 0.00 0.02 0.00 0.00 55.97 56.56 1jt4 s LYS 112 Cb -0.07 -1.97 1.17 0.00 -0.52 0.00 0.00 37.83 36.44 1jt4 s LYS 112 CO -0.00 -1.36 2.12 0.87 -0.92 0.00 0.00 175.35 176.06 1jt4 h LYS 113 N -0.89 0.13 -0.00 1.68 1.57 -1.86 0.21 116.57 117.42 1jt4 h LYS 113 Ca -0.46 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1jt4 h LYS 113 Cb 1.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1jt4 h LYS 113 CO 0.64 0.09 0.00 0.27 -0.57 0.00 0.00 179.45 179.87 1jt4 n ASN 114 N -4.52 0.03 0.00 0.86 0.23 -1.26 -4.52 115.26 106.09 1jt4 n ASN 114 Ca -0.01 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 1jt4 n ASN 114 Cb 0.09 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1jt4 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jt4 n GLY 115 N 0.93 1.51 3.84 4.83 0.00 0.75 -5.00 105.19 112.05 1jt4 n GLY 115 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1jt4 n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jt4 s SER 116 N -3.18 6.75 0.60 1.61 1.04 -1.26 -1.17 113.70 118.10 1jt4 s SER 116 Ca 0.00 1.45 -0.13 0.00 0.48 0.00 0.00 55.95 57.74 1jt4 s SER 116 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1jt4 s SER 116 CO 0.00 -0.37 1.03 0.00 0.98 0.00 0.00 173.24 174.88 1jt4 s LYS 118 N -4.62 3.54 -0.01 0.00 1.02 0.07 -4.70 119.74 115.03 1jt4 s LYS 118 Ca 0.58 -0.01 -0.13 0.00 0.02 0.00 0.00 55.97 56.43 1jt4 s LYS 118 Cb -0.12 -2.51 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1jt4 s LYS 118 CO 0.44 -0.03 0.36 1.03 -0.92 0.00 0.00 175.35 176.24 1jt4 s ARG 119 N -4.43 3.82 0.26 1.68 0.52 -1.26 -4.63 118.95 114.90 1jt4 s ARG 119 Ca 0.44 0.30 -0.09 0.00 -0.52 0.00 0.00 55.73 55.87 1jt4 s ARG 119 Cb -0.10 -3.19 0.42 0.00 0.52 0.00 0.00 34.95 32.60 1jt4 s ARG 119 CO 0.40 0.69 1.59 0.78 0.02 0.00 0.00 175.30 178.78 1jt4 h GLY 120 N 4.65 0.70 2.00 -3.53 0.00 -0.61 0.11 103.07 106.40 1jt4 h GLY 120 Ca -0.52 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1jt4 h GLY 120 CO 0.61 -0.35 -0.04 -2.55 0.00 0.00 0.00 176.54 174.22 1jt4 h PRO 121 N 0.01 0.00 -0.38 4.80 0.11 -1.84 -0.81 132.00 133.89 1jt4 h PRO 121 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1jt4 h PRO 121 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1jt4 h PRO 121 CO -0.88 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 177.48 1jt4 n ARG 122 N -3.90 2.15 -4.09 1.05 5.12 0.39 -4.92 116.66 112.46 1jt4 n ARG 122 Ca -0.03 -1.76 -0.22 0.00 -1.93 0.00 0.00 57.85 53.92 1jt4 n ARG 122 Cb 0.13 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 1jt4 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jt4 s THR 123 N -1.50 4.59 -0.13 0.55 -4.23 -0.31 -4.92 115.64 109.70 1jt4 s THR 123 Ca 0.35 -1.32 -0.33 0.00 -1.18 0.00 0.00 61.69 59.21 1jt4 s THR 123 Cb 0.19 -3.48 0.13 0.00 1.34 0.00 0.00 72.50 70.68 1jt4 s THR 123 CO 0.26 -0.34 1.15 -1.38 -0.54 0.00 0.00 174.62 173.78 1jt4 s HIS 124 N -2.09 -0.16 0.45 3.99 -3.43 -1.26 -4.83 115.29 107.96 1jt4 s HIS 124 Ca 0.33 0.09 -0.25 0.00 -0.80 0.00 0.00 55.06 54.43 1jt4 s HIS 124 Cb -0.08 0.52 -0.08 0.00 -1.43 0.00 0.00 32.58 31.51 1jt4 s HIS 124 CO 0.26 -0.29 1.33 0.66 -2.00 0.00 0.00 174.74 174.70 1jt4 n TYR 125 N -0.16 2.33 0.00 0.38 4.01 -1.26 -2.78 117.16 119.67 1jt4 n TYR 125 Ca -0.02 0.47 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 1jt4 n TYR 125 Cb 0.59 -2.40 0.00 0.00 -0.31 0.00 0.00 39.34 37.22 1jt4 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jt4 n GLY 126 N 0.73 1.54 3.87 2.72 0.00 -1.26 -5.08 105.19 107.71 1jt4 n GLY 126 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1jt4 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jt4 s GLN 127 N -0.75 3.76 0.15 1.61 -0.21 -1.12 -4.98 119.66 118.12 1jt4 s GLN 127 Ca 0.00 0.59 0.13 0.00 0.02 0.00 0.00 55.36 56.09 1jt4 s GLN 127 Cb 0.00 -2.28 -0.09 0.00 1.00 0.00 0.00 33.01 31.64 1jt4 s GLN 127 CO 0.00 -0.20 1.20 0.87 -2.12 0.00 0.00 175.29 175.04 1jt4 h LYS 128 N 0.79 0.00 -0.11 2.91 1.79 -1.97 -3.33 116.57 116.65 1jt4 h LYS 128 Ca -0.47 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1jt4 h LYS 128 Cb 1.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 1jt4 h LYS 128 CO 0.63 0.62 0.05 0.00 -1.08 0.00 0.00 179.45 179.67 1jt4 h ALA 129 N 1.28 1.89 -0.00 3.86 0.00 -1.94 -2.39 119.26 121.96 1jt4 h ALA 129 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jt4 h ALA 129 Cb 1.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1jt4 h ALA 129 CO 0.08 0.09 -0.20 0.44 0.00 0.00 0.00 179.25 179.67 1jt4 n ILE 130 N -4.50 0.00 -2.91 0.00 -5.35 -1.25 -1.91 119.36 103.44 1jt4 n ILE 130 Ca -0.01 -0.03 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 1jt4 n ILE 130 Cb 0.10 -0.07 -0.04 0.00 -1.74 0.00 0.00 39.64 37.88 1jt4 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jt4 s LEU 131 N -2.75 4.12 0.15 7.28 1.43 -0.90 -4.44 118.68 123.57 1jt4 s LEU 131 Ca 0.20 1.06 0.10 0.00 -1.03 0.00 0.00 54.13 54.46 1jt4 s LEU 131 Cb 0.19 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 1jt4 s LEU 131 CO 0.55 -0.45 -0.24 -0.36 0.23 0.00 0.00 176.35 176.08 1jt4 s PHE 132 N 2.53 2.18 -0.13 0.29 0.40 -0.12 -1.27 117.98 121.86 1jt4 s PHE 132 Ca 0.35 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.29 1jt4 s PHE 132 Cb -0.16 -1.14 0.03 0.00 0.51 0.00 0.00 43.02 42.26 1jt4 s PHE 132 CO 0.09 0.37 -0.09 -1.17 0.70 0.00 0.00 175.22 175.12 1jt4 s LEU 133 N -2.30 1.42 0.25 -0.37 2.96 0.55 -0.07 118.68 121.12 1jt4 s LEU 133 Ca 0.15 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.34 1jt4 s LEU 133 Cb -0.09 -0.96 -0.09 0.00 0.50 0.00 0.00 46.19 45.55 1jt4 s LEU 133 CO 0.07 -0.11 0.99 -2.16 -1.32 0.00 0.00 176.35 173.82 1jt4 s PRO 134 N 1.62 4.79 0.11 0.98 0.04 -1.26 -0.63 135.00 140.65 1jt4 s PRO 134 Ca 0.04 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.73 1jt4 s PRO 134 Cb -0.13 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1jt4 s PRO 134 CO -0.09 0.42 -0.12 -0.51 0.04 0.00 0.00 177.00 176.74 1jt4 s LEU 135 N -1.26 2.41 0.36 -3.56 1.43 0.10 -4.93 118.68 113.23 1jt4 s LEU 135 Ca 0.42 -0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 52.45 1jt4 s LEU 135 Cb -0.28 -0.43 -0.09 0.00 0.03 0.00 0.00 46.19 45.42 1jt4 s LEU 135 CO 0.35 -0.21 1.06 -2.16 0.23 0.00 0.00 176.35 175.62 1jt4 s PRO 136 N -2.77 4.31 0.00 1.29 0.04 -1.26 -0.35 135.00 136.26 1jt4 s PRO 136 Ca 0.08 1.59 0.09 0.00 0.04 0.00 0.00 61.00 62.79 1jt4 s PRO 136 Cb -0.04 -2.74 0.52 0.00 0.04 0.00 0.00 34.50 32.29 1jt4 s PRO 136 CO 0.02 -0.03 0.97 1.33 0.04 0.00 0.00 177.00 179.33