#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 0.85 -2.68 -1.40 7.35 -1.26 -5.01 117.46 115.31 1jt4 n PHE 1 Ca 0.00 -1.53 -0.43 0.00 -0.76 0.00 0.00 57.45 54.73 1jt4 n PHE 1 Cb 0.00 -0.24 -0.02 0.00 0.35 0.00 0.00 39.48 39.56 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 -3.11 6.94 0.05 -2.13 0.01 -1.26 -5.02 114.94 110.42 1jt4 s ASN 2 Ca 0.38 1.09 -0.03 0.00 -0.71 0.00 0.00 52.86 53.60 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 -0.06 -0.80 0.24 -0.76 -1.51 0.00 0.00 177.10 174.21 1jt4 s LEU 3 N 3.46 4.35 0.57 0.60 1.43 -1.26 -0.96 118.68 126.87 1jt4 s LEU 3 Ca 0.44 0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.80 1jt4 s LEU 3 Cb -0.13 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 1jt4 s LEU 3 CO 0.13 0.19 1.00 -2.16 0.23 0.00 0.00 176.35 175.74 1jt4 s PRO 4 N -2.25 3.73 0.73 1.29 0.04 -1.26 -4.59 135.00 132.69 1jt4 s PRO 4 Ca 0.33 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1jt4 s PRO 4 Cb -0.13 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1jt4 s PRO 4 CO 0.23 -0.44 1.11 -1.25 0.04 0.00 0.00 177.00 176.69 1jt4 s PRO 5 N -4.73 2.66 0.00 0.56 0.04 -1.26 -4.95 135.00 127.32 1jt4 s PRO 5 Ca 0.56 0.43 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1jt4 s PRO 5 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1jt4 s PRO 5 CO 0.45 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1jt4 n GLY 6 N -2.96 1.23 1.16 0.56 0.00 -1.26 -5.11 105.19 98.82 1jt4 n GLY 6 Ca 0.07 -2.19 -0.07 0.00 0.00 0.00 0.00 46.02 43.83 1jt4 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jt4 n ASN 7 N 0.00 -0.29 -0.72 1.61 0.23 -1.26 -5.06 115.26 109.78 1jt4 n ASN 7 Ca 0.00 -1.77 0.08 0.00 -0.53 0.00 0.00 54.58 52.36 1jt4 n ASN 7 Cb 0.00 0.65 0.22 0.00 -2.08 0.00 0.00 39.78 38.57 1jt4 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1jt4 n TYR 8 N -0.23 0.72 -0.07 -2.53 4.01 -1.26 -4.71 117.16 113.10 1jt4 n TYR 8 Ca 0.02 -0.84 -0.09 0.00 -0.16 0.00 0.00 57.90 56.84 1jt4 n TYR 8 Cb 0.22 -0.25 -0.01 0.00 -0.31 0.00 0.00 39.34 38.98 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 1.52 0.27 -6.34 -0.72 1.57 -1.97 -3.44 116.57 107.45 1jt4 h LYS 9 Ca 0.00 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.16 1jt4 h LYS 9 Cb 1.27 -0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 1jt4 h LYS 9 CO 0.16 0.18 -0.69 0.15 -0.57 0.00 0.00 179.45 178.68 1jt4 s LYS 10 N -6.17 2.18 0.92 3.15 1.02 -1.26 -5.10 119.74 114.49 1jt4 s LYS 10 Ca -0.13 -1.30 -0.11 0.00 0.02 0.00 0.00 55.97 54.45 1jt4 s LYS 10 Cb 0.10 -2.18 0.14 0.00 -0.52 0.00 0.00 37.83 35.37 1jt4 s LYS 10 CO 0.70 0.41 1.10 -1.25 -0.92 0.00 0.00 175.35 175.39 1jt4 s PRO 11 N -3.13 1.03 0.20 -1.68 0.04 -1.26 -4.76 135.00 125.43 1jt4 s PRO 11 Ca 0.27 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 1jt4 s PRO 11 Cb -0.08 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1jt4 s PRO 11 CO 0.17 -2.49 0.14 0.15 0.04 0.00 0.00 177.00 175.01 1jt4 s LYS 12 N -4.76 1.19 -0.09 4.56 -0.14 0.20 -4.14 119.74 116.57 1jt4 s LYS 12 Ca 0.65 -1.60 -0.01 0.00 -1.36 0.00 0.00 55.97 53.65 1jt4 s LYS 12 Cb -0.20 0.27 -0.03 0.00 -1.68 0.00 0.00 37.83 36.19 1jt4 s LYS 12 CO 0.58 -0.39 -0.04 -0.51 -0.76 0.00 0.00 175.35 174.23 1jt4 s LEU 13 N -3.15 3.31 -0.57 3.17 1.43 0.17 -0.89 118.68 122.14 1jt4 s LEU 13 Ca 0.37 0.01 -0.10 0.00 -1.03 0.00 0.00 54.13 53.38 1jt4 s LEU 13 Cb 0.07 -1.75 0.15 0.00 0.03 0.00 0.00 46.19 44.69 1jt4 s LEU 13 CO 0.11 0.33 0.46 -0.76 0.23 0.00 0.00 176.35 176.72 1jt4 s LEU 14 N -0.58 5.90 -0.25 1.79 1.43 -1.26 -0.44 118.68 125.27 1jt4 s LEU 14 Ca 0.09 -2.19 -0.25 0.00 -1.03 0.00 0.00 54.13 50.75 1jt4 s LEU 14 Cb -0.12 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1jt4 s LEU 14 CO 0.02 -0.64 0.87 -0.47 0.23 0.00 0.00 176.35 176.35 1jt4 s TYR 15 N 0.95 3.30 -0.29 0.29 6.14 -0.34 -0.94 117.35 126.46 1jt4 s TYR 15 Ca 0.09 1.16 -0.19 0.00 0.64 0.00 0.00 57.07 58.78 1jt4 s TYR 15 Cb -0.23 -3.13 -0.02 0.00 0.42 0.00 0.00 41.96 39.01 1jt4 s TYR 15 CO -0.02 -0.44 0.55 0.00 0.64 0.00 0.00 175.55 176.28 1jt4 h SER 17 N 8.13 0.55 -0.58 0.00 0.87 -1.56 0.78 113.55 121.75 1jt4 h SER 17 Ca -0.28 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1jt4 h SER 17 Cb 1.13 -0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.96 1jt4 h SER 17 CO 0.75 0.32 -0.47 -1.13 -0.53 0.00 0.00 176.83 175.78 1jt4 h ASN 18 N 0.68 -1.65 -0.04 6.23 -1.24 -1.79 -3.24 115.58 114.55 1jt4 h ASN 18 Ca 0.35 0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.60 1jt4 h ASN 18 Cb 0.33 0.70 0.00 0.00 0.73 0.00 0.00 38.32 40.08 1jt4 h ASN 18 CO -0.24 -0.26 0.00 0.61 -1.29 0.00 0.00 177.43 176.25 1jt4 n GLY 19 N -1.25 0.40 2.20 1.57 0.00 -1.23 -4.71 105.19 102.17 1jt4 n GLY 19 Ca -0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 0.01 0.42 3.63 -0.02 0.00 0.25 -4.97 105.19 104.51 1jt4 n GLY 20 Ca 0.02 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.11 2.82 -0.11 1.61 3.76 -1.13 -4.55 115.29 114.58 1jt4 s HIS 21 Ca 0.19 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 54.86 1jt4 s HIS 21 Cb -0.08 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 32.13 1jt4 s HIS 21 CO 0.25 0.48 0.26 -0.06 -0.85 0.00 0.00 174.74 174.82 1jt4 s PHE 22 N -1.45 3.58 0.22 1.40 0.08 0.27 0.42 117.98 122.50 1jt4 s PHE 22 Ca 0.25 0.66 -0.31 0.00 0.12 0.00 0.00 56.93 57.65 1jt4 s PHE 22 Cb -0.10 -2.17 -0.11 0.00 -0.57 0.00 0.00 43.02 40.07 1jt4 s PHE 22 CO 0.16 0.53 1.57 -1.17 -0.10 0.00 0.00 175.22 176.22 1jt4 s LEU 23 N -0.49 4.37 -0.03 -0.37 2.96 -0.12 -1.53 118.68 123.47 1jt4 s LEU 23 Ca 0.17 2.74 0.04 0.00 -0.22 0.00 0.00 54.13 56.86 1jt4 s LEU 23 Cb -0.13 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1jt4 s LEU 23 CO 0.06 -0.84 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.51 1jt4 s ARG 24 N 0.49 1.39 -0.36 1.98 3.52 0.15 -4.46 118.95 121.66 1jt4 s ARG 24 Ca 0.67 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 1jt4 s ARG 24 Cb -0.45 -1.26 0.09 0.00 -1.56 0.00 0.00 34.95 31.78 1jt4 s ARG 24 CO 0.37 0.22 0.09 0.42 -0.81 0.00 0.00 175.30 175.59 1jt4 s ILE 25 N 0.01 2.81 0.44 4.11 1.01 -0.91 -1.78 121.20 126.90 1jt4 s ILE 25 Ca -0.02 -2.01 -0.23 0.00 0.00 0.00 0.00 60.65 58.39 1jt4 s ILE 25 Cb -0.09 -2.90 -0.08 0.00 0.01 0.00 0.00 42.46 39.40 1jt4 s ILE 25 CO 0.01 -0.51 1.14 -0.76 0.00 0.00 0.00 174.94 174.81 1jt4 s LEU 26 N 1.07 4.05 0.56 2.97 1.43 0.38 -4.84 118.68 124.30 1jt4 s LEU 26 Ca 0.06 2.24 0.29 0.00 -1.03 0.00 0.00 54.13 55.69 1jt4 s LEU 26 Cb -0.21 -4.22 1.46 0.00 0.03 0.00 0.00 46.19 43.25 1jt4 s LEU 26 CO -0.05 -0.80 1.91 -0.65 0.23 0.00 0.00 176.35 176.98 1jt4 h PRO 27 N 2.17 0.00 0.00 1.29 0.11 -1.98 0.53 132.00 134.12 1jt4 h PRO 27 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1jt4 h PRO 27 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jt4 h PRO 27 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1jt4 n ASP 28 N -4.03 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 110.13 1jt4 n ASP 28 Ca 0.12 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 1jt4 n ASP 28 Cb 0.78 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 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 0.82 0.86 3.81 6.12 0.00 0.19 -4.97 105.19 112.01 1jt4 n GLY 29 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1jt4 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jt4 s THR 30 N -2.72 4.04 -0.02 2.61 2.01 -1.23 -1.08 115.64 119.24 1jt4 s THR 30 Ca 0.00 1.23 0.04 0.00 0.31 0.00 0.00 61.69 63.27 1jt4 s THR 30 Cb 0.00 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1jt4 s THR 30 CO 0.00 -0.32 -0.15 -0.69 -0.69 0.00 0.00 174.62 172.78 1jt4 s VAL 31 N -2.12 1.20 0.00 3.82 1.01 -1.26 -0.47 120.40 122.57 1jt4 s VAL 31 Ca 0.65 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1jt4 s VAL 31 Cb -0.13 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1jt4 s VAL 31 CO 0.20 0.34 0.00 -0.90 0.00 0.00 0.00 175.10 174.74 1jt4 n ASP 32 N 2.92 0.00 -4.13 3.32 5.75 -0.73 -4.53 116.55 119.15 1jt4 n ASP 32 Ca -0.16 -0.17 -0.16 0.00 -0.01 0.00 0.00 54.79 54.28 1jt4 n ASP 32 Cb 0.54 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.57 0.72 0.02 6.12 0.00 0.01 0.33 107.32 113.95 1jt4 s GLY 33 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.83 1jt4 s GLY 33 CO 0.00 -0.94 -0.05 -1.08 0.00 0.00 0.00 173.10 171.04 1jt4 s THR 34 N -1.30 0.30 -1.59 0.90 -1.32 -0.59 -4.79 115.64 107.25 1jt4 s THR 34 Ca -0.05 -0.74 0.26 0.00 -1.21 0.00 0.00 61.69 59.95 1jt4 s THR 34 Cb -0.10 -0.37 0.24 0.00 -1.51 0.00 0.00 72.50 70.76 1jt4 s THR 34 CO 0.02 -0.30 1.57 0.54 -2.21 0.00 0.00 174.62 174.24 1jt4 n ARG 35 N 1.96 0.65 -2.54 7.08 1.74 -1.26 -0.57 116.66 123.71 1jt4 n ARG 35 Ca -0.20 -0.37 -0.41 0.00 -0.77 0.00 0.00 57.85 56.10 1jt4 n ARG 35 Cb 0.56 -1.49 -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 -2.60 6.20 0.31 0.55 2.15 -1.26 -4.83 116.67 117.19 1jt4 s ASP 36 Ca 0.22 -0.60 0.17 0.00 0.43 0.00 0.00 52.55 52.77 1jt4 s ASP 36 Cb 0.19 -2.56 0.94 0.00 -0.30 0.00 0.00 42.92 41.18 1jt4 s ASP 36 CO 0.55 -1.80 1.48 -2.11 -0.17 0.00 0.00 175.17 173.12 1jt4 n ARG 37 N 9.30 0.11 0.00 4.34 1.85 -1.26 -1.05 116.66 129.95 1jt4 n ARG 37 Ca 0.08 0.60 0.13 0.00 -1.00 0.00 0.00 57.85 57.66 1jt4 n ARG 37 Cb 0.49 -1.99 0.37 0.00 -1.05 0.00 0.00 32.46 30.28 1jt4 n ARG 37 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1jt4 n SER 38 N -2.13 0.88 -4.70 2.89 3.41 -1.26 -4.94 113.62 107.76 1jt4 n SER 38 Ca -0.01 -0.74 -0.43 0.00 -0.26 0.00 0.00 58.87 57.43 1jt4 n SER 38 Cb 0.15 0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.84 2.91 -0.23 4.04 -0.08 -0.22 -4.90 116.55 117.23 1jt4 n ASP 39 Ca 0.11 1.19 0.15 0.00 -1.51 0.00 0.00 54.79 54.72 1jt4 n ASP 39 Cb 0.34 -1.49 0.65 0.00 2.34 0.00 0.00 41.12 42.97 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 1.07 1.16 -0.49 -0.67 1.13 -1.26 -3.76 117.38 114.56 1jt4 n GLN 40 Ca 0.07 -0.47 0.08 0.00 -1.94 0.00 0.00 57.00 54.73 1jt4 n GLN 40 Cb 0.35 -1.49 0.26 0.00 0.11 0.00 0.00 30.24 29.47 1jt4 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jt4 n HIS 41 N -0.51 1.02 0.68 1.08 8.25 -1.26 -4.40 115.22 120.08 1jt4 n HIS 41 Ca 0.19 -0.91 0.07 0.00 -0.26 0.00 0.00 57.72 56.81 1jt4 n HIS 41 Cb 0.27 -0.34 -0.00 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.49 0.00 -2.70 1.59 -5.35 -1.25 -2.13 119.36 109.03 1jt4 n ILE 42 Ca 0.23 -0.34 -0.43 0.00 -0.27 0.00 0.00 62.75 61.94 1jt4 n ILE 42 Cb 0.92 1.18 -0.03 0.00 -1.74 0.00 0.00 39.64 39.97 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 -1.84 3.91 -0.04 6.28 1.11 -1.26 -4.47 119.66 123.34 1jt4 s GLN 43 Ca 0.12 0.77 0.06 0.00 0.01 0.00 0.00 55.36 56.33 1jt4 s GLN 43 Cb 0.12 -3.80 -0.02 0.00 -1.01 0.00 0.00 33.01 28.30 1jt4 s GLN 43 CO 0.39 -1.02 -0.22 -0.51 0.01 0.00 0.00 175.29 173.95 1jt4 s LEU 44 N 3.74 2.29 -0.25 2.90 1.43 -0.07 -1.06 118.68 127.65 1jt4 s LEU 44 Ca 0.43 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.08 1jt4 s LEU 44 Cb -0.11 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1jt4 s LEU 44 CO 0.20 0.32 0.06 -1.58 0.23 0.00 0.00 176.35 175.58 1jt4 s GLN 45 N -0.57 3.54 0.09 1.70 2.00 0.76 0.62 119.66 127.80 1jt4 s GLN 45 Ca 0.08 -0.55 -0.01 0.00 -2.00 0.00 0.00 55.36 52.88 1jt4 s GLN 45 Cb -0.11 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1jt4 s GLN 45 CO 0.00 -0.23 0.26 -0.51 -0.50 0.00 0.00 175.29 174.31 1jt4 s LEU 46 N 1.59 4.33 0.08 3.68 1.02 -1.26 -1.45 118.68 126.66 1jt4 s LEU 46 Ca 0.06 0.36 -0.09 0.00 0.02 0.00 0.00 54.13 54.48 1jt4 s LEU 46 Cb -0.15 -3.07 -0.00 0.00 0.02 0.00 0.00 46.19 42.99 1jt4 s LEU 46 CO 0.03 0.13 0.19 -0.94 0.02 0.00 0.00 176.35 175.78 1jt4 s SER 47 N -2.52 0.10 -0.07 2.29 1.04 -0.74 -4.75 113.70 109.04 1jt4 s SER 47 Ca 0.37 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 1jt4 s SER 47 Cb -0.13 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1jt4 s SER 47 CO 0.27 -0.69 0.06 0.00 0.98 0.00 0.00 173.24 173.85 1jt4 s ALA 48 N -3.58 3.51 0.00 5.32 0.00 -1.26 -0.95 121.76 124.80 1jt4 s ALA 48 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.20 1jt4 s ALA 48 Cb 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1jt4 s ALA 48 CO -0.09 0.62 0.00 -1.91 0.00 0.00 0.00 175.76 174.38 1jt4 n GLU 49 N 1.84 0.00 -2.37 0.00 4.07 -0.01 -4.95 120.64 119.22 1jt4 n GLU 49 Ca -0.17 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 56.68 1jt4 n GLU 49 Cb 0.54 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.02 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 -1.00 4.39 0.13 4.31 0.01 -1.26 -4.89 113.70 115.39 1jt4 s SER 50 Ca 0.00 0.03 -0.32 0.00 1.31 0.00 0.00 55.95 56.97 1jt4 s SER 50 Cb 0.00 -0.50 -0.12 0.00 0.21 0.00 0.00 66.02 65.61 1jt4 s SER 50 CO 0.00 -1.84 1.76 0.52 0.41 0.00 0.00 173.24 174.08 1jt4 n VAL 51 N -2.96 0.21 -0.21 3.43 0.31 -1.26 -0.63 118.33 117.23 1jt4 n VAL 51 Ca 0.12 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1jt4 n VAL 51 Cb 0.60 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 4.00 1.49 3.63 2.92 0.00 -1.26 -5.02 105.19 110.95 1jt4 n GLY 52 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.38 3.43 0.09 1.61 2.02 0.20 -0.83 118.70 124.84 1jt4 s GLU 53 Ca 0.00 -0.40 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 1jt4 s GLU 53 Cb 0.00 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 1jt4 s GLU 53 CO 0.00 0.48 -0.00 0.14 0.02 0.00 0.00 175.26 175.90 1jt4 s VAL 54 N -0.27 0.26 0.01 2.63 -7.23 -0.17 -0.83 120.40 114.81 1jt4 s VAL 54 Ca 0.06 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 1jt4 s VAL 54 Cb -0.12 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 1jt4 s VAL 54 CO 0.02 -0.76 -0.06 -0.31 -0.31 0.00 0.00 175.10 173.69 1jt4 s TYR 55 N -3.91 2.90 -0.28 2.82 2.02 -0.12 -1.66 117.35 119.11 1jt4 s TYR 55 Ca 0.15 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.83 1jt4 s TYR 55 Cb 0.07 -1.60 0.08 0.00 -0.40 0.00 0.00 41.96 40.12 1jt4 s TYR 55 CO -0.04 0.39 0.01 0.42 -1.57 0.00 0.00 175.55 174.76 1jt4 s ILE 56 N -1.04 1.65 -0.06 2.71 1.01 -1.26 -1.79 121.20 122.41 1jt4 s ILE 56 Ca 0.18 -1.62 0.03 0.00 0.00 0.00 0.00 60.65 59.25 1jt4 s ILE 56 Cb -0.11 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1jt4 s ILE 56 CO 0.09 -0.37 -0.15 -0.75 0.00 0.00 0.00 174.94 173.76 1jt4 s LYS 57 N 1.28 2.65 0.01 2.79 2.20 -0.53 0.34 119.74 128.48 1jt4 s LYS 57 Ca 0.02 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1jt4 s LYS 57 Cb -0.19 -2.40 -0.06 0.00 -1.51 0.00 0.00 37.83 33.68 1jt4 s LYS 57 CO -0.11 0.53 1.38 0.45 -0.36 0.00 0.00 175.35 177.25 1jt4 s SER 58 N -0.50 6.87 0.20 1.43 0.15 0.79 -0.17 113.70 122.46 1jt4 s SER 58 Ca 0.07 2.11 0.06 0.00 0.70 0.00 0.00 55.95 58.89 1jt4 s SER 58 Cb -0.12 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.73 1jt4 s SER 58 CO 0.02 -0.69 1.45 0.71 1.20 0.00 0.00 173.24 175.93 1jt4 h THR 59 N 4.83 1.52 -0.14 6.45 1.35 -1.43 0.27 112.91 125.76 1jt4 h THR 59 Ca -0.38 -2.57 -0.07 0.00 -0.55 0.00 0.00 66.41 62.84 1jt4 h THR 59 Cb 1.18 2.40 -0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1jt4 h THR 59 CO 0.89 0.74 -0.16 -0.08 -0.25 0.00 0.00 175.52 176.66 1jt4 h GLU 60 N 0.05 0.37 0.00 4.72 4.57 -1.80 -3.38 114.58 119.11 1jt4 h GLU 60 Ca -0.02 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1jt4 h GLU 60 Cb 1.39 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 1jt4 h GLU 60 CO 0.11 0.76 -1.65 0.25 -1.18 0.00 0.00 179.01 177.31 1jt4 n THR 61 N -4.53 0.00 -0.51 0.32 -2.24 -1.23 -5.00 114.28 101.09 1jt4 n THR 61 Ca -0.06 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1jt4 n THR 61 Cb 0.38 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.64 1.14 3.76 3.38 0.00 0.96 -5.01 105.19 111.06 1jt4 n GLY 62 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.32 4.57 -0.07 1.61 -0.21 -1.25 -4.69 119.66 119.30 1jt4 s GLN 63 Ca 0.00 1.90 -0.12 0.00 0.02 0.00 0.00 55.36 57.15 1jt4 s GLN 63 Cb 0.00 -3.17 -0.05 0.00 1.00 0.00 0.00 33.01 30.79 1jt4 s GLN 63 CO 0.00 0.11 0.30 0.71 -2.12 0.00 0.00 175.29 174.30 1jt4 s TYR 64 N -1.11 3.63 0.21 0.91 1.51 0.19 -0.15 117.35 122.53 1jt4 s TYR 64 Ca 0.46 0.76 -0.30 0.00 -1.01 0.00 0.00 57.07 56.98 1jt4 s TYR 64 Cb -0.34 -2.20 -0.09 0.00 -0.11 0.00 0.00 41.96 39.23 1jt4 s TYR 64 CO 0.43 0.58 1.28 -1.17 -1.11 0.00 0.00 175.55 175.56 1jt4 s LEU 65 N -0.70 4.43 0.08 -1.29 2.96 0.15 -0.37 118.68 123.95 1jt4 s LEU 65 Ca 0.19 2.38 -0.08 0.00 -0.22 0.00 0.00 54.13 56.40 1jt4 s LEU 65 Cb -0.14 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 1jt4 s LEU 65 CO 0.08 -0.48 0.18 0.00 -1.32 0.00 0.00 176.35 174.81 1jt4 s ALA 66 N -0.06 -0.19 -0.14 5.97 0.00 0.25 -4.38 121.76 123.21 1jt4 s ALA 66 Ca 0.55 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1jt4 s ALA 66 Cb -0.36 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1jt4 s ALA 66 CO 0.39 -0.50 -0.14 1.41 0.00 0.00 0.00 175.76 176.92 1jt4 s MET 67 N -3.83 2.30 1.08 0.00 1.75 -0.81 0.17 119.30 119.96 1jt4 s MET 67 Ca 0.05 -0.56 -0.18 0.00 -1.25 0.00 0.00 55.69 53.75 1jt4 s MET 67 Cb 0.05 -2.08 0.25 0.00 2.84 0.00 0.00 34.83 35.88 1jt4 s MET 67 CO -0.11 -0.21 1.23 0.16 -0.65 0.00 0.00 175.02 175.44 1jt4 s ASP 68 N 1.41 2.03 0.54 1.11 1.47 0.19 -4.81 116.67 118.62 1jt4 s ASP 68 Ca 0.03 0.40 0.23 0.00 1.18 0.00 0.00 52.55 54.40 1jt4 s ASP 68 Cb -0.13 -0.51 1.44 0.00 -0.34 0.00 0.00 42.92 43.38 1jt4 s ASP 68 CO -0.09 -3.42 2.08 0.00 0.68 0.00 0.00 175.17 174.43 1jt4 h THR 69 N -2.11 0.75 -0.62 2.11 1.03 -2.01 0.12 112.91 112.18 1jt4 h THR 69 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1jt4 h THR 69 Cb 1.26 0.86 0.00 0.00 -1.07 0.00 0.00 68.15 69.20 1jt4 h THR 69 CO 0.35 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.33 1jt4 n ASP 70 N -4.26 3.80 -0.03 0.00 8.00 -1.26 -4.93 116.55 117.87 1jt4 n ASP 70 Ca 0.03 -2.16 -0.00 0.00 0.71 0.00 0.00 54.79 53.36 1jt4 n ASP 70 Cb 0.34 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 1.33 0.47 3.78 0.44 0.00 0.40 -4.67 105.19 106.95 1jt4 n GLY 71 Ca 0.22 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.08 4.35 0.38 0.99 1.43 -1.26 -1.07 118.68 123.42 1jt4 s LEU 72 Ca 0.00 0.73 -0.25 0.00 -1.03 0.00 0.00 54.13 53.59 1jt4 s LEU 72 Cb 0.00 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 1jt4 s LEU 72 CO 0.00 0.20 1.03 -0.76 0.23 0.00 0.00 176.35 177.05 1jt4 s LEU 73 N -0.25 4.20 0.13 1.79 1.43 -1.26 -0.64 118.68 124.08 1jt4 s LEU 73 Ca 0.21 2.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.17 1jt4 s LEU 73 Cb -0.15 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 41.98 1jt4 s LEU 73 CO 0.09 -0.38 0.39 -0.72 0.23 0.00 0.00 176.35 175.95 1jt4 s TYR 74 N -1.62 -0.12 -0.24 0.29 1.13 0.13 -4.59 117.35 112.32 1jt4 s TYR 74 Ca 0.55 -0.21 -0.17 0.00 -1.41 0.00 0.00 57.07 55.83 1jt4 s TYR 74 Cb -0.22 0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 1jt4 s TYR 74 CO 0.28 -0.71 0.48 0.20 -2.51 0.00 0.00 175.55 173.28 1jt4 s GLY 75 N -2.83 1.93 -0.10 5.49 0.00 -0.24 -0.58 107.32 110.99 1jt4 s GLY 75 Ca 0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 44.72 44.14 1jt4 s GLY 75 CO -0.10 1.10 0.09 -0.45 0.00 0.00 0.00 173.10 173.73 1jt4 s SER 76 N 1.40 5.93 0.29 1.64 0.15 0.50 -4.74 113.70 118.87 1jt4 s SER 76 Ca 0.21 0.34 0.11 0.00 0.70 0.00 0.00 55.95 57.31 1jt4 s SER 76 Cb -0.15 -1.83 0.43 0.00 -1.71 0.00 0.00 66.02 62.76 1jt4 s SER 76 CO 0.09 0.40 1.65 1.56 1.20 0.00 0.00 173.24 178.14 1jt4 h GLN 77 N 5.03 0.00 -6.05 5.44 1.08 -1.90 0.55 115.11 119.26 1jt4 h GLN 77 Ca -0.53 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.13 1jt4 h GLN 77 Cb 1.21 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.45 1jt4 h GLN 77 CO 0.57 0.57 -0.81 0.95 -0.95 0.00 0.00 178.83 179.16 1jt4 s THR 78 N -3.70 1.76 0.11 -0.54 -4.23 -1.26 -4.79 115.64 102.99 1jt4 s THR 78 Ca -0.01 -1.72 -0.30 0.00 -1.18 0.00 0.00 61.69 58.47 1jt4 s THR 78 Cb 0.13 -1.69 -0.07 0.00 1.34 0.00 0.00 72.50 72.21 1jt4 s THR 78 CO 0.75 -0.18 1.22 -2.16 -0.54 0.00 0.00 174.62 173.71 1jt4 s PRO 79 N -2.32 4.44 0.34 3.99 0.04 -1.26 -4.85 135.00 135.38 1jt4 s PRO 79 Ca 0.11 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1jt4 s PRO 79 Cb -0.08 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1jt4 s PRO 79 CO 0.05 -0.22 0.42 0.54 0.04 0.00 0.00 177.00 177.83 1jt4 s ASN 80 N 0.75 1.17 0.61 6.66 2.20 -1.26 -5.02 114.94 120.04 1jt4 s ASN 80 Ca 0.57 -1.58 0.30 0.00 -0.94 0.00 0.00 52.86 51.21 1jt4 s ASN 80 Cb -0.31 0.63 1.68 0.00 -2.00 0.00 0.00 41.25 41.25 1jt4 s ASN 80 CO 0.32 -1.23 2.06 1.05 -2.94 0.00 0.00 177.10 176.35 1jt4 h GLU 81 N 2.11 0.00 -0.00 3.55 4.11 -1.99 0.17 114.58 122.52 1jt4 h GLU 81 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1jt4 h GLU 81 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jt4 h GLU 81 CO 0.38 0.00 -0.04 0.39 0.07 0.00 0.00 179.01 179.81 1jt4 n GLU 82 N -3.59 0.51 0.00 1.06 1.02 -1.26 -3.50 120.64 114.88 1jt4 n GLU 82 Ca 0.02 -0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.21 1jt4 n GLU 82 Cb 0.38 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.44 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 -2.87 4.34 0.08 0.00 1.43 -1.23 -4.47 118.68 115.96 1jt4 s LEU 84 Ca 0.13 1.14 0.08 0.00 -1.03 0.00 0.00 54.13 54.44 1jt4 s LEU 84 Cb 0.17 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 1jt4 s LEU 84 CO 0.71 -0.04 -0.20 -0.36 0.23 0.00 0.00 176.35 176.68 1jt4 s PHE 85 N 0.51 1.72 -0.48 0.29 0.40 -0.66 -0.60 117.98 119.16 1jt4 s PHE 85 Ca 0.34 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 56.07 1jt4 s PHE 85 Cb -0.18 -0.97 0.04 0.00 0.51 0.00 0.00 43.02 42.43 1jt4 s PHE 85 CO 0.17 0.15 0.64 -0.51 0.70 0.00 0.00 175.22 176.37 1jt4 s LEU 86 N -1.64 4.74 -0.27 -0.37 1.43 0.22 -1.00 118.68 121.78 1jt4 s LEU 86 Ca 0.06 -0.67 -0.24 0.00 -1.03 0.00 0.00 54.13 52.24 1jt4 s LEU 86 Cb -0.10 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 1jt4 s LEU 86 CO 0.03 -0.86 0.83 -0.70 0.23 0.00 0.00 176.35 175.88 1jt4 s GLU 87 N 2.76 4.09 0.13 1.70 2.12 -0.01 -1.54 118.70 127.95 1jt4 s GLU 87 Ca 0.18 0.81 0.04 0.00 0.36 0.00 0.00 54.97 56.36 1jt4 s GLU 87 Cb -0.17 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1jt4 s GLU 87 CO 0.15 -0.60 -0.09 1.03 -0.54 0.00 0.00 175.26 175.20 1jt4 s ARG 88 N 2.94 0.99 0.37 4.30 1.81 -0.09 -4.67 118.95 124.59 1jt4 s ARG 88 Ca 0.34 -1.41 -0.23 0.00 -1.72 0.00 0.00 55.73 52.71 1jt4 s ARG 88 Cb -0.15 -0.50 -0.10 0.00 -0.45 0.00 0.00 34.95 33.76 1jt4 s ARG 88 CO 0.10 0.05 0.94 -1.17 -0.68 0.00 0.00 175.30 174.53 1jt4 s LEU 89 N -3.12 4.16 -0.04 2.53 2.96 -0.14 -0.27 118.68 124.76 1jt4 s LEU 89 Ca 0.15 1.75 -0.04 0.00 -0.22 0.00 0.00 54.13 55.76 1jt4 s LEU 89 Cb 0.03 -4.23 0.01 0.00 0.50 0.00 0.00 46.19 42.50 1jt4 s LEU 89 CO -0.01 -0.19 0.12 -0.70 -1.32 0.00 0.00 176.35 174.25 1jt4 s GLU 90 N -2.56 0.17 -1.26 1.98 2.56 0.88 -4.82 118.70 115.65 1jt4 s GLU 90 Ca 0.55 0.12 -0.06 0.00 0.00 0.00 0.00 54.97 55.59 1jt4 s GLU 90 Cb -0.14 0.08 0.04 0.00 2.00 0.00 0.00 34.13 36.10 1jt4 s GLU 90 CO 0.19 -0.02 0.35 0.39 -0.56 0.00 0.00 175.26 175.60 1jt4 n GLU 91 N 2.90 -3.26 -2.16 4.30 1.02 -1.26 -0.42 120.64 121.76 1jt4 n GLU 91 Ca -0.13 0.59 -0.16 0.00 -0.02 0.00 0.00 57.16 57.44 1jt4 n GLU 91 Cb 0.59 -5.29 -0.02 0.00 -0.02 0.00 0.00 31.44 26.70 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 -2.17 -4.61 0.00 1.62 4.13 -1.26 -4.58 115.26 108.39 1jt4 n ASN 92 Ca -0.07 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.37 1jt4 n ASN 92 Cb 0.58 -3.96 0.00 0.00 -1.54 0.00 0.00 39.78 34.86 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 -3.21 -1.79 -2.31 3.10 -0.00 0.10 -5.15 115.22 105.96 1jt4 n HIS 93 Ca -0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.29 1jt4 n HIS 93 Cb 0.61 0.44 0.09 0.00 -0.00 0.00 0.00 29.99 31.13 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 -1.88 2.35 -0.08 1.57 2.02 0.44 -4.81 117.35 116.96 1jt4 s TYR 94 Ca 0.00 0.18 -0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1jt4 s TYR 94 Cb 0.00 -3.24 -0.03 0.00 -0.40 0.00 0.00 41.96 38.29 1jt4 s TYR 94 CO 0.00 -1.62 -0.05 -0.80 -1.57 0.00 0.00 175.55 171.51 1jt4 s ASN 95 N -4.62 4.80 0.10 2.29 -0.87 0.37 -0.08 114.94 116.92 1jt4 s ASN 95 Ca 0.64 0.01 0.09 0.00 -1.57 0.00 0.00 52.86 52.03 1jt4 s ASN 95 Cb -0.08 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.25 39.82 1jt4 s ASN 95 CO 0.45 0.35 -0.23 0.42 -2.57 0.00 0.00 177.10 175.52 1jt4 s THR 96 N -0.73 1.91 -0.23 1.60 -4.23 0.63 -1.06 115.64 113.53 1jt4 s THR 96 Ca 0.11 -1.57 -0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1jt4 s THR 96 Cb -0.11 -1.70 0.06 0.00 1.34 0.00 0.00 72.50 72.09 1jt4 s THR 96 CO 0.02 0.04 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.80 1jt4 s TYR 97 N -1.07 2.04 -0.14 3.99 1.51 -1.26 -0.91 117.35 121.50 1jt4 s TYR 97 Ca 0.09 -1.54 -0.10 0.00 -1.01 0.00 0.00 57.07 54.52 1jt4 s TYR 97 Cb -0.10 -1.46 -0.05 0.00 -0.11 0.00 0.00 41.96 40.25 1jt4 s TYR 97 CO 0.04 -0.74 0.19 0.42 -1.11 0.00 0.00 175.55 174.35 1jt4 s ILE 98 N 1.52 5.40 0.01 2.71 1.01 -0.59 -0.41 121.20 130.84 1jt4 s ILE 98 Ca -0.04 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 1jt4 s ILE 98 Cb -0.18 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.72 1jt4 s ILE 98 CO -0.07 0.52 1.91 -0.55 0.00 0.00 0.00 174.94 176.75 1jt4 s SER 99 N -0.34 6.45 0.08 3.58 0.15 -0.30 0.68 113.70 124.00 1jt4 s SER 99 Ca 0.14 2.54 -0.23 0.00 0.70 0.00 0.00 55.95 59.10 1jt4 s SER 99 Cb -0.12 -2.53 -0.15 0.00 -1.71 0.00 0.00 66.02 61.51 1jt4 s SER 99 CO 0.03 -1.07 1.70 0.50 1.20 0.00 0.00 173.24 175.60 1jt4 h LYS 100 N 10.58 0.02 -0.86 5.44 3.64 -1.17 0.13 116.57 134.35 1jt4 h LYS 100 Ca -0.47 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.06 1jt4 h LYS 100 Cb 1.23 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.95 1jt4 h LYS 100 CO 0.94 0.06 0.44 -0.22 -2.27 0.00 0.00 179.45 178.41 1jt4 h LYS 101 N -0.03 0.61 -0.51 1.90 1.63 -1.75 -2.30 116.57 116.11 1jt4 h LYS 101 Ca 0.00 -0.04 -0.21 0.00 -0.85 0.00 0.00 60.65 59.56 1jt4 h LYS 101 Cb 0.05 -0.14 -0.13 0.00 -0.60 0.00 0.00 32.23 31.41 1jt4 h LYS 101 CO -0.00 0.40 0.13 0.72 -3.45 0.00 0.00 179.45 177.25 1jt4 n HIS 102 N -4.87 1.63 -0.23 1.91 8.25 -1.05 -4.75 115.22 116.12 1jt4 n HIS 102 Ca 0.17 -1.44 0.01 0.00 -0.26 0.00 0.00 57.72 56.21 1jt4 n HIS 102 Cb 0.45 -0.57 0.13 0.00 1.12 0.00 0.00 29.99 31.12 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 1.42 0.90 -0.10 -1.41 0.00 -0.14 -0.73 119.26 119.20 1jt4 h ALA 103 Ca 0.26 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1jt4 h ALA 103 Cb 1.94 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1jt4 h ALA 103 CO 0.54 -0.15 0.10 1.05 0.00 0.00 0.00 179.25 180.78 1jt4 h GLU 104 N 0.47 0.00 -0.01 0.00 9.09 -1.85 -0.54 114.58 121.74 1jt4 h GLU 104 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.75 1jt4 h GLU 104 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1jt4 h GLU 104 CO -0.32 0.00 -0.13 1.63 0.05 0.00 0.00 179.01 180.24 1jt4 n LYS 105 N -4.03 1.07 -3.48 1.06 5.02 -0.29 -4.96 118.16 112.54 1jt4 n LYS 105 Ca -0.01 -0.55 -0.18 0.00 -2.02 0.00 0.00 58.31 55.55 1jt4 n LYS 105 Cb 0.20 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.80 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 -0.48 -1.90 -4.61 4.39 4.13 -0.21 -4.96 115.26 111.62 1jt4 n ASN 106 Ca 0.15 -0.66 -0.39 0.00 1.68 0.00 0.00 54.58 55.37 1jt4 n ASN 106 Cb 0.32 -4.92 -0.09 0.00 -1.54 0.00 0.00 39.78 33.55 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 -3.42 3.26 0.35 3.10 0.52 -1.24 -4.48 118.94 117.03 1jt4 s TRP 107 Ca 0.00 0.44 0.08 0.00 0.02 0.00 0.00 56.10 56.65 1jt4 s TRP 107 Cb -0.00 -2.58 -0.04 0.00 -1.15 0.00 0.00 33.47 29.69 1jt4 s TRP 107 CO 0.75 -0.22 0.15 -0.06 0.02 0.00 0.00 176.95 177.59 1jt4 s PHE 108 N 2.04 2.69 0.09 -1.98 0.40 -1.26 -1.15 117.98 118.81 1jt4 s PHE 108 Ca 0.16 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.78 1jt4 s PHE 108 Cb -0.16 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 1jt4 s PHE 108 CO 0.10 0.30 0.94 -1.17 0.70 0.00 0.00 175.22 176.10 1jt4 s LEU 109 N -3.86 4.48 0.01 -0.37 2.96 0.45 -4.65 118.68 117.69 1jt4 s LEU 109 Ca 0.38 1.74 -0.28 0.00 -0.22 0.00 0.00 54.13 55.75 1jt4 s LEU 109 Cb -0.02 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.20 1jt4 s LEU 109 CO 0.23 -0.08 0.70 -0.83 -1.32 0.00 0.00 176.35 175.04 1jt4 s GLY 110 N 0.12 -0.56 -0.02 7.98 0.00 -1.26 -4.40 107.32 109.18 1jt4 s GLY 110 Ca 0.47 1.11 0.05 0.00 0.00 0.00 0.00 44.72 46.35 1jt4 s GLY 110 CO 0.29 0.68 -0.17 1.08 0.00 0.00 0.00 173.10 174.98 1jt4 s LEU 111 N -1.74 1.98 0.71 0.66 1.43 -0.61 -1.23 118.68 119.88 1jt4 s LEU 111 Ca -0.05 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1jt4 s LEU 111 Cb -0.00 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.32 1jt4 s LEU 111 CO 0.01 0.19 1.10 -0.54 0.23 0.00 0.00 176.35 177.34 1jt4 s LYS 112 N -0.24 2.81 0.62 1.70 1.02 0.86 -4.45 119.74 122.07 1jt4 s LYS 112 Ca 0.03 0.47 0.33 0.00 0.02 0.00 0.00 55.97 56.82 1jt4 s LYS 112 Cb -0.08 -2.01 1.88 0.00 -0.52 0.00 0.00 37.83 37.09 1jt4 s LYS 112 CO 0.00 -1.07 2.17 0.87 -0.92 0.00 0.00 175.35 176.40 1jt4 h LYS 113 N -0.68 0.00 -0.17 1.68 1.57 -1.87 0.76 116.57 117.86 1jt4 h LYS 113 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1jt4 h LYS 113 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1jt4 h LYS 113 CO 0.64 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 1jt4 n ASN 114 N -3.51 1.50 0.00 0.86 0.23 -1.26 -4.55 115.26 108.53 1jt4 n ASN 114 Ca -0.01 -1.72 0.00 0.00 -0.53 0.00 0.00 54.58 52.32 1jt4 n ASN 114 Cb 0.22 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 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 1.08 1.02 3.87 4.83 0.00 0.26 -4.99 105.19 111.26 1jt4 n GLY 115 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.05 6.68 0.52 1.61 1.04 -1.26 -0.81 113.70 118.43 1jt4 s SER 116 Ca 0.00 1.04 -0.21 0.00 0.48 0.00 0.00 55.95 57.27 1jt4 s SER 116 Cb 0.00 -2.28 -0.06 0.00 0.10 0.00 0.00 66.02 63.78 1jt4 s SER 116 CO 0.00 -0.11 1.16 0.00 0.98 0.00 0.00 173.24 175.27 1jt4 s LYS 118 N -3.08 3.80 0.12 0.00 1.02 -0.37 -4.79 119.74 116.44 1jt4 s LYS 118 Ca 0.70 0.24 -0.25 0.00 0.02 0.00 0.00 55.97 56.68 1jt4 s LYS 118 Cb -0.27 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.11 1jt4 s LYS 118 CO 0.31 0.46 0.77 0.50 -0.92 0.00 0.00 175.35 176.47 1jt4 s ARG 119 N -2.30 4.53 0.05 1.68 3.52 -1.26 -4.66 118.95 120.51 1jt4 s ARG 119 Ca 0.39 1.11 -0.10 0.00 -0.13 0.00 0.00 55.73 57.00 1jt4 s ARG 119 Cb -0.13 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1jt4 s ARG 119 CO 0.20 0.47 0.80 0.41 -0.81 0.00 0.00 175.30 176.36 1jt4 n GLY 120 N 1.90 -1.76 0.16 8.12 0.00 -0.23 0.11 105.19 113.49 1jt4 n GLY 120 Ca -0.05 0.56 0.10 0.00 0.00 0.00 0.00 46.02 46.64 1jt4 n GLY 120 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jt4 n PRO 121 N -3.78 0.13 0.00 1.61 -0.01 -1.26 -0.43 135.00 131.26 1jt4 n PRO 121 Ca 0.01 0.63 0.13 0.00 -0.01 0.00 0.00 63.50 64.25 1jt4 n PRO 121 Cb 0.09 -1.98 0.34 0.00 -0.01 0.00 0.00 33.50 31.94 1jt4 n PRO 121 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1jt4 n ARG 122 N -2.22 1.38 -3.74 -0.52 5.12 0.12 -4.89 116.66 111.91 1jt4 n ARG 122 Ca -0.01 -0.92 -0.23 0.00 -1.93 0.00 0.00 57.85 54.76 1jt4 n ARG 122 Cb 0.08 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 29.88 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 -2.26 5.21 -0.06 0.55 -4.23 0.43 -4.95 115.64 110.33 1jt4 s THR 123 Ca 0.29 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.77 1jt4 s THR 123 Cb 0.20 -3.84 0.11 0.00 1.34 0.00 0.00 72.50 70.31 1jt4 s THR 123 CO 0.43 -0.37 0.95 -1.38 -0.54 0.00 0.00 174.62 173.71 1jt4 s HIS 124 N -2.06 -0.33 0.43 3.99 -3.43 -1.26 -4.79 115.29 107.83 1jt4 s HIS 124 Ca 0.36 0.30 -0.25 0.00 -0.80 0.00 0.00 55.06 54.67 1jt4 s HIS 124 Cb -0.10 0.51 -0.10 0.00 -1.43 0.00 0.00 32.58 31.47 1jt4 s HIS 124 CO 0.31 -0.46 1.31 0.66 -2.00 0.00 0.00 174.74 174.56 1jt4 n TYR 125 N 0.01 2.27 0.00 0.38 4.01 -1.26 -2.62 117.16 119.95 1jt4 n TYR 125 Ca -0.08 0.49 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1jt4 n TYR 125 Cb 0.60 -2.40 0.00 0.00 -0.31 0.00 0.00 39.34 37.24 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 0.76 0.16 3.92 2.72 0.00 -1.26 -5.08 105.19 106.41 1jt4 n GLY 126 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.97 3.54 0.12 1.61 -0.21 -1.08 -4.99 119.66 117.68 1jt4 s GLN 127 Ca 0.00 -0.05 0.05 0.00 0.02 0.00 0.00 55.36 55.37 1jt4 s GLN 127 Cb 0.00 -2.54 -0.19 0.00 1.00 0.00 0.00 33.01 31.27 1jt4 s GLN 127 CO 0.00 0.02 1.27 0.87 -2.12 0.00 0.00 175.29 175.33 1jt4 h LYS 128 N 0.72 0.06 -0.71 2.91 1.79 -1.97 -3.33 116.57 116.05 1jt4 h LYS 128 Ca -0.48 -0.10 0.18 0.00 -2.18 0.00 0.00 60.65 58.07 1jt4 h LYS 128 Cb 1.21 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.86 1jt4 h LYS 128 CO 0.62 1.03 0.50 0.00 -1.08 0.00 0.00 179.45 180.52 1jt4 h ALA 129 N 0.93 2.45 -0.00 3.86 0.00 -1.95 -2.18 119.26 122.37 1jt4 h ALA 129 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jt4 h ALA 129 Cb 1.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1jt4 h ALA 129 CO 0.14 -0.65 -0.21 0.44 0.00 0.00 0.00 179.25 178.98 1jt4 n ILE 130 N -4.39 0.00 -2.99 0.00 -5.35 -1.25 -1.57 119.36 103.81 1jt4 n ILE 130 Ca 0.14 -0.08 -0.41 0.00 -0.27 0.00 0.00 62.75 62.13 1jt4 n ILE 130 Cb 0.68 0.12 -0.05 0.00 -1.74 0.00 0.00 39.64 38.65 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 -2.57 4.10 0.14 7.28 1.43 -0.82 -4.40 118.68 123.84 1jt4 s LEU 131 Ca 0.24 0.93 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 1jt4 s LEU 131 Cb 0.19 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1jt4 s LEU 131 CO 0.52 -0.42 -0.20 -0.36 0.23 0.00 0.00 176.35 176.11 1jt4 s PHE 132 N 2.52 1.89 -0.17 0.29 0.40 -0.22 -1.65 117.98 121.04 1jt4 s PHE 132 Ca 0.32 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 1jt4 s PHE 132 Cb -0.16 -0.98 0.03 0.00 0.51 0.00 0.00 43.02 42.42 1jt4 s PHE 132 CO 0.09 0.30 -0.13 -0.51 0.70 0.00 0.00 175.22 175.67 1jt4 s LEU 133 N -2.35 1.90 -0.18 -0.37 1.02 0.38 -0.48 118.68 118.60 1jt4 s LEU 133 Ca 0.13 -0.63 -0.28 0.00 0.02 0.00 0.00 54.13 53.37 1jt4 s LEU 133 Cb -0.08 -1.21 -0.00 0.00 0.02 0.00 0.00 46.19 44.92 1jt4 s LEU 133 CO 0.06 -0.08 0.96 -2.16 0.02 0.00 0.00 176.35 175.14 1jt4 s PRO 134 N 1.45 4.30 0.07 1.29 0.04 -1.26 -1.20 135.00 139.70 1jt4 s PRO 134 Ca 0.03 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.36 1jt4 s PRO 134 Cb -0.14 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 1jt4 s PRO 134 CO -0.10 -0.46 -0.09 -0.51 0.04 0.00 0.00 177.00 175.88 1jt4 s LEU 135 N 2.59 3.08 0.64 -3.56 1.43 0.41 -4.90 118.68 118.38 1jt4 s LEU 135 Ca 0.43 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 1jt4 s LEU 135 Cb -0.16 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1jt4 s LEU 135 CO 0.11 0.21 1.09 -2.84 0.23 0.00 0.00 176.35 175.15 1jt4 s PRO 136 N -1.95 2.99 0.00 1.29 0.02 -1.26 0.42 135.00 136.51 1jt4 s PRO 136 Ca 0.20 1.29 0.25 0.00 0.02 0.00 0.00 61.00 62.76 1jt4 s PRO 136 Cb -0.11 -1.98 0.32 0.00 0.02 0.00 0.00 34.50 32.75 1jt4 s PRO 136 CO 0.12 -1.09 1.33 1.33 -0.33 0.00 0.00 177.00 178.36