#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zj4 s LEU 2 N 0.00 2.32 -0.33 3.17 1.43 -1.26 -4.59 118.68 119.42 1zj4 s LEU 2 Ca 0.00 -1.10 -0.27 0.00 -1.03 0.00 0.00 54.13 51.72 1zj4 s LEU 2 Cb 0.00 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 46.07 1zj4 s LEU 2 CO 0.00 -0.48 1.00 -0.89 0.23 0.00 0.00 176.35 176.21 1zj4 s THR 3 N -3.53 4.56 0.27 5.49 2.01 -0.28 -4.90 115.64 119.27 1zj4 s THR 3 Ca 0.20 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.40 1zj4 s THR 3 Cb 0.05 -4.36 -0.14 0.00 0.01 0.00 0.00 72.50 68.06 1zj4 s THR 3 CO 0.02 -0.47 1.27 -0.62 -0.69 0.00 0.00 174.62 174.12 1zj4 n GLU 4 N 6.77 1.82 0.00 4.92 1.02 -1.26 -2.17 120.64 131.73 1zj4 n GLU 4 Ca 0.09 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1zj4 n GLU 4 Cb 0.48 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1zj4 n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zj4 n GLY 5 N 1.60 2.93 3.70 0.62 0.00 -1.26 -5.02 105.19 107.75 1zj4 n GLY 5 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1zj4 n GLY 5 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zj4 s ILE 6 N -2.12 4.70 -0.06 -0.61 -1.09 -0.92 -5.01 121.20 116.08 1zj4 s ILE 6 Ca 0.00 1.95 -0.02 0.00 -2.23 0.00 0.00 60.65 60.34 1zj4 s ILE 6 Cb 0.00 -4.25 0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1zj4 s ILE 6 CO 0.00 0.10 0.10 -0.55 -1.23 0.00 0.00 174.94 173.36 1zj4 s SER 7 N 1.08 0.81 -0.11 3.58 0.15 -1.26 -4.06 113.70 113.89 1zj4 s SER 7 Ca 0.52 0.20 0.01 0.00 0.70 0.00 0.00 55.95 57.38 1zj4 s SER 7 Cb -0.22 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1zj4 s SER 7 CO 0.25 -0.23 -0.16 -0.63 1.20 0.00 0.00 173.24 173.67 1zj4 s ILE 8 N 2.07 2.81 -0.09 6.45 1.01 0.84 -4.93 121.20 129.36 1zj4 s ILE 8 Ca 0.02 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 1zj4 s ILE 8 Cb -0.12 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1zj4 s ILE 8 CO -0.04 0.54 0.35 -1.58 0.00 0.00 0.00 174.94 174.20 1zj4 s GLN 9 N 0.24 4.07 0.37 2.79 0.74 -1.26 -1.23 119.66 125.38 1zj4 s GLN 9 Ca -0.11 0.24 0.04 0.00 0.05 0.00 0.00 55.36 55.59 1zj4 s GLN 9 Cb -0.16 -3.33 0.07 0.00 1.10 0.00 0.00 33.01 30.68 1zj4 s GLN 9 CO 0.06 0.43 0.51 0.45 -0.55 0.00 0.00 175.29 176.20 1zj4 n SER 10 N 2.83 1.13 -0.21 6.67 2.88 0.17 -4.86 113.62 122.23 1zj4 n SER 10 Ca -0.13 -1.85 0.30 0.00 -1.33 0.00 0.00 58.87 55.86 1zj4 n SER 10 Cb 0.52 -0.29 0.72 0.00 -0.75 0.00 0.00 64.21 64.41 1zj4 n SER 10 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1zj4 h TYR 11 N -0.10 0.03 -0.10 0.66 -0.00 -1.85 -2.66 116.97 112.95 1zj4 h TYR 11 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.55 1zj4 h TYR 11 Cb 0.74 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.73 37.46 1zj4 h TYR 11 CO 0.00 0.01 -0.02 -0.40 -0.00 0.00 0.00 178.16 177.74 1zj4 n ASP 12 N -4.26 2.84 0.00 0.10 5.75 -1.26 -4.94 116.55 114.78 1zj4 n ASP 12 Ca 0.20 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 1zj4 n ASP 12 Cb 1.02 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 1zj4 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1zj4 n GLY 13 N -1.10 2.26 3.76 6.12 0.00 -1.00 -5.00 105.19 110.23 1zj4 n GLY 13 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1zj4 n GLY 13 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1zj4 n HIS 14 N -2.00 2.95 -4.37 1.61 -0.00 -1.26 -4.73 115.22 107.42 1zj4 n HIS 14 Ca 0.00 0.32 -0.30 0.00 -0.00 0.00 0.00 57.72 57.75 1zj4 n HIS 14 Cb 0.00 -2.58 -0.11 0.00 -0.00 0.00 0.00 29.99 27.30 1zj4 n HIS 14 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1zj4 s THR 15 N -0.45 2.91 0.03 3.57 -4.23 -1.26 0.42 115.64 116.63 1zj4 s THR 15 Ca 0.59 -1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 59.61 1zj4 s THR 15 Cb -0.48 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1zj4 s THR 15 CO 0.55 0.15 0.19 0.72 -0.54 0.00 0.00 174.62 175.69 1zj4 s PHE 16 N -1.11 0.05 0.96 3.99 -0.12 -0.36 -4.92 117.98 116.47 1zj4 s PHE 16 Ca 0.18 -0.25 -0.15 0.00 -0.05 0.00 0.00 56.93 56.66 1zj4 s PHE 16 Cb -0.11 -0.03 0.21 0.00 -0.63 0.00 0.00 43.02 42.46 1zj4 s PHE 16 CO 0.10 -0.41 1.31 0.20 -0.05 0.00 0.00 175.22 176.37 1zj4 s GLY 17 N -1.97 1.80 -0.01 1.99 0.00 -1.26 -0.11 107.32 107.76 1zj4 s GLY 17 Ca -0.07 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 1zj4 s GLY 17 CO -0.03 -0.57 0.70 0.00 0.00 0.00 0.00 173.10 173.21 1zj4 s ALA 18 N -3.85 -1.75 -0.24 3.20 0.00 -1.26 -0.52 121.76 117.35 1zj4 s ALA 18 Ca 0.75 1.14 -0.16 0.00 0.00 0.00 0.00 51.96 53.69 1zj4 s ALA 18 Cb -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1zj4 s ALA 18 CO 0.53 -0.47 0.40 -1.17 0.00 0.00 0.00 175.76 175.04 1zj4 s LEU 19 N -1.60 4.09 -0.06 0.00 2.96 0.45 -1.12 118.68 123.40 1zj4 s LEU 19 Ca -0.07 0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 1zj4 s LEU 19 Cb -0.00 -2.49 -0.01 0.00 0.50 0.00 0.00 46.19 44.18 1zj4 s LEU 19 CO 0.03 -0.15 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.00 1zj4 s VAL 20 N 1.78 2.33 -0.24 1.68 1.01 -1.26 -0.19 120.40 125.51 1zj4 s VAL 20 Ca 0.17 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1zj4 s VAL 20 Cb -0.15 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.41 1zj4 s VAL 20 CO 0.09 0.57 -0.12 -0.83 0.00 0.00 0.00 175.10 174.81 1zj4 s GLY 21 N -0.24 1.55 0.54 4.51 0.00 0.68 -4.94 107.32 109.42 1zj4 s GLY 21 Ca -0.01 -1.59 -0.19 0.00 0.00 0.00 0.00 44.72 42.93 1zj4 s GLY 21 CO 0.03 0.58 1.08 -1.35 0.00 0.00 0.00 173.10 173.44 1zj4 s SER 22 N 1.18 5.95 0.68 1.64 1.04 -1.26 -1.09 113.70 121.83 1zj4 s SER 22 Ca -0.06 2.00 -0.13 0.00 0.48 0.00 0.00 55.95 58.25 1zj4 s SER 22 Cb -0.18 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.38 1zj4 s SER 22 CO -0.07 -1.06 1.08 -2.16 0.98 0.00 0.00 173.24 172.02 1zj4 s PRO 23 N -3.45 2.79 0.28 4.02 0.04 -1.26 -4.87 135.00 132.55 1zj4 s PRO 23 Ca 0.69 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1zj4 s PRO 23 Cb -0.19 -1.96 0.42 0.00 0.04 0.00 0.00 34.50 32.81 1zj4 s PRO 23 CO 0.27 -1.24 1.77 0.00 0.04 0.00 0.00 177.00 177.84 1zj4 h ALA 24 N -0.34 1.16 -3.75 8.56 0.00 -1.79 -3.42 119.26 119.68 1zj4 h ALA 24 Ca -0.45 -0.27 -0.31 0.00 0.00 0.00 0.00 54.91 53.88 1zj4 h ALA 24 Cb 1.23 -0.16 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 1zj4 h ALA 24 CO 0.54 0.53 -0.74 0.21 0.00 0.00 0.00 179.25 179.79 1zj4 s LYS 25 N -4.83 0.30 0.03 0.00 2.47 -1.26 -5.16 119.74 111.29 1zj4 s LYS 25 Ca -0.08 -0.07 0.03 0.00 -1.56 0.00 0.00 55.97 54.28 1zj4 s LYS 25 Cb 0.15 -0.33 -0.04 0.00 -1.46 0.00 0.00 37.83 36.15 1zj4 s LYS 25 CO 0.79 0.02 0.01 0.00 0.16 0.00 0.00 175.35 176.33 1zj4 s ALA 26 N 0.21 3.31 0.53 3.13 0.00 -1.26 -4.29 121.76 123.39 1zj4 s ALA 26 Ca -0.02 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 1zj4 s ALA 26 Cb -0.05 -1.30 -0.07 0.00 0.00 0.00 0.00 23.12 21.70 1zj4 s ALA 26 CO -0.00 0.67 0.99 -1.25 0.00 0.00 0.00 175.76 176.17 1zj4 s PRO 27 N -1.85 3.88 0.03 0.00 0.04 -1.26 -5.14 135.00 130.70 1zj4 s PRO 27 Ca 0.22 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 1zj4 s PRO 27 Cb -0.12 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1zj4 s PRO 27 CO 0.14 -0.32 0.31 0.00 0.04 0.00 0.00 177.00 177.17 1zj4 s ALA 28 N -2.72 -0.73 0.69 8.56 0.00 0.46 -4.81 121.76 123.20 1zj4 s ALA 28 Ca 0.58 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 1zj4 s ALA 28 Cb -0.10 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1zj4 s ALA 28 CO 0.35 -0.38 1.11 -1.25 0.00 0.00 0.00 175.76 175.60 1zj4 s PRO 29 N -2.23 2.63 -0.12 0.00 0.04 -1.26 -1.19 135.00 132.86 1zj4 s PRO 29 Ca -0.07 1.38 0.01 0.00 0.04 0.00 0.00 61.00 62.36 1zj4 s PRO 29 Cb -0.02 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1zj4 s PRO 29 CO -0.01 -1.38 -0.15 0.08 0.04 0.00 0.00 177.00 175.58 1zj4 s VAL 30 N -2.41 2.89 -0.23 -0.36 1.01 -0.82 -1.15 120.40 119.33 1zj4 s VAL 30 Ca 0.67 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1zj4 s VAL 30 Cb -0.21 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1zj4 s VAL 30 CO 0.44 0.53 0.07 -0.63 0.00 0.00 0.00 175.10 175.51 1zj4 s ILE 31 N 0.34 4.47 -0.10 2.22 -1.09 0.43 -1.20 121.20 126.26 1zj4 s ILE 31 Ca -0.12 -0.13 -0.26 0.00 -2.23 0.00 0.00 60.65 57.91 1zj4 s ILE 31 Cb -0.16 -3.06 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1zj4 s ILE 31 CO 0.06 0.38 0.82 -0.69 -1.23 0.00 0.00 174.94 174.28 1zj4 s VAL 32 N 1.21 4.93 -0.24 2.92 1.01 -0.04 -0.74 120.40 129.45 1zj4 s VAL 32 Ca 0.05 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.61 1zj4 s VAL 32 Cb -0.14 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1zj4 s VAL 32 CO 0.03 0.13 0.07 -0.63 0.00 0.00 0.00 175.10 174.70 1zj4 s ILE 33 N 1.48 4.39 -0.27 2.22 1.01 0.89 -0.88 121.20 130.04 1zj4 s ILE 33 Ca 0.41 -0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.74 1zj4 s ILE 33 Cb -0.18 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 1zj4 s ILE 33 CO 0.17 0.35 0.47 0.00 0.00 0.00 0.00 174.94 175.93 1zj4 s ALA 34 N 1.49 3.57 1.00 9.38 0.00 0.68 -3.99 121.76 133.90 1zj4 s ALA 34 Ca 0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1zj4 s ALA 34 Cb -0.15 -2.84 0.18 0.00 0.00 0.00 0.00 23.12 20.31 1zj4 s ALA 34 CO 0.04 -0.75 1.05 0.00 0.00 0.00 0.00 175.76 176.10 1zj4 n GLN 35 N 5.49 -1.06 -0.08 0.00 10.64 -1.26 -1.91 117.38 129.20 1zj4 n GLN 35 Ca -0.05 -0.25 0.00 0.00 -1.83 0.00 0.00 57.00 54.86 1zj4 n GLN 35 Cb 0.50 -2.28 0.00 0.00 -0.86 0.00 0.00 30.24 27.60 1zj4 n GLN 35 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1zj4 n ASP 36 N -4.26 0.00 0.00 2.61 -0.08 -1.23 -0.40 116.55 113.19 1zj4 n ASP 36 Ca 0.09 -0.12 0.14 0.00 -1.51 0.00 0.00 54.79 53.39 1zj4 n ASP 36 Cb 0.53 0.00 0.83 0.00 2.34 0.00 0.00 41.12 44.82 1zj4 n ASP 36 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1zj4 n ILE 37 N -0.16 0.00 0.50 5.18 -5.35 -1.26 -3.20 119.36 115.07 1zj4 n ILE 37 Ca 0.00 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 1zj4 n ILE 37 Cb 0.00 -0.44 0.23 0.00 -1.74 0.00 0.00 39.64 37.69 1zj4 n ILE 37 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1zj4 n PHE 38 N -0.94 0.42 -3.88 4.28 3.72 -1.26 -4.60 117.46 115.21 1zj4 n PHE 38 Ca 0.21 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1zj4 n PHE 38 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1zj4 n PHE 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1zj4 n GLY 39 N 1.45 -1.98 3.47 1.37 0.00 -1.19 -0.42 105.19 107.89 1zj4 n GLY 39 Ca 0.19 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1zj4 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zj4 s VAL 40 N 0.00 4.49 0.00 1.61 1.01 -1.16 -4.51 120.40 121.84 1zj4 s VAL 40 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1zj4 s VAL 40 Cb 0.00 -4.83 0.00 0.00 0.00 0.00 0.00 36.38 31.55 1zj4 s VAL 40 CO 0.00 -1.59 0.00 -0.46 0.00 0.00 0.00 175.10 173.05 1zj4 n ASN 41 N 7.24 1.90 -0.04 3.32 6.94 -1.26 -0.10 115.26 133.26 1zj4 n ASN 41 Ca 0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1zj4 n ASN 41 Cb 0.49 0.00 0.31 0.00 -2.36 0.00 0.00 39.78 38.21 1zj4 n ASN 41 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1zj4 h ALA 42 N 0.90 1.43 -0.22 -2.53 0.00 -1.91 -0.37 119.26 116.55 1zj4 h ALA 42 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1zj4 h ALA 42 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1zj4 h ALA 42 CO 0.00 0.42 -0.53 0.35 0.00 0.00 0.00 179.25 179.49 1zj4 h PHE 43 N 0.60 0.81 -0.75 0.00 3.57 -1.96 0.67 116.94 119.89 1zj4 h PHE 43 Ca 0.14 -0.28 -0.05 0.00 3.53 0.00 0.00 57.97 61.31 1zj4 h PHE 43 Cb 0.20 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1zj4 h PHE 43 CO 0.01 1.04 0.27 0.52 -2.23 0.00 0.00 178.31 177.92 1zj4 h MET 44 N 0.51 1.13 -0.49 1.11 2.86 -1.56 -0.22 114.93 118.26 1zj4 h MET 44 Ca 0.01 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.36 1zj4 h MET 44 Cb 1.09 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1zj4 h MET 44 CO 0.11 0.93 -0.02 -0.09 1.06 0.00 0.00 176.91 178.90 1zj4 h ARG 45 N 1.10 0.83 -0.56 1.72 2.43 -0.47 -0.95 114.38 118.48 1zj4 h ARG 45 Ca 0.25 -0.24 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1zj4 h ARG 45 Cb 0.25 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1zj4 h ARG 45 CO -0.02 0.84 -0.04 1.49 -1.51 0.00 0.00 179.97 180.74 1zj4 h GLU 46 N 0.76 0.99 -0.51 0.20 4.81 -0.51 0.40 114.58 120.73 1zj4 h GLU 46 Ca 0.14 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 1zj4 h GLU 46 Cb 0.49 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1zj4 h GLU 46 CO 0.02 1.00 -0.04 1.15 -0.73 0.00 0.00 179.01 180.42 1zj4 h THR 47 N 0.90 1.27 -0.21 0.32 2.02 -0.55 0.12 112.91 116.78 1zj4 h THR 47 Ca 0.16 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1zj4 h THR 47 Cb 0.58 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1zj4 h THR 47 CO 0.04 0.40 0.13 0.58 0.37 0.00 0.00 175.52 177.04 1zj4 h VAL 48 N 0.78 1.04 -0.65 3.16 2.07 -0.69 -1.32 116.25 120.65 1zj4 h VAL 48 Ca 0.14 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1zj4 h VAL 48 Cb 0.58 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1zj4 h VAL 48 CO 0.03 0.05 0.42 -1.28 0.02 0.00 0.00 177.57 176.81 1zj4 h SER 49 N 0.27 0.71 -0.30 0.57 0.87 -0.58 -1.06 113.55 114.03 1zj4 h SER 49 Ca 0.08 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1zj4 h SER 49 Cb -0.02 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 1zj4 h SER 49 CO -0.02 0.50 0.06 -0.25 -0.53 0.00 0.00 176.83 176.59 1zj4 h TRP 50 N 0.84 0.10 -0.11 2.24 7.01 -0.63 -0.57 115.95 124.84 1zj4 h TRP 50 Ca 0.25 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.16 1zj4 h TRP 50 Cb -0.05 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1zj4 h TRP 50 CO -0.04 0.02 -0.39 -0.07 -2.79 0.00 0.00 178.44 175.18 1zj4 h LEU 51 N 0.17 0.25 -0.59 0.65 3.38 -0.81 -1.50 115.31 116.86 1zj4 h LEU 51 Ca 0.14 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1zj4 h LEU 51 Cb 0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1zj4 h LEU 51 CO -0.18 0.62 -0.03 0.58 0.09 0.00 0.00 178.44 179.52 1zj4 h VAL 52 N 0.20 1.27 0.00 1.22 2.07 -0.86 -0.68 116.25 119.46 1zj4 h VAL 52 Ca 0.02 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1zj4 h VAL 52 Cb 0.79 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1zj4 h VAL 52 CO 0.06 0.43 0.00 0.44 0.02 0.00 0.00 177.57 178.52 1zj4 h ASP 53 N 0.95 0.00 -0.60 0.57 3.32 -0.34 -1.56 116.42 118.76 1zj4 h ASP 53 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1zj4 h ASP 53 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1zj4 h ASP 53 CO 0.04 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1zj4 n GLN 54 N -2.62 3.37 -0.43 3.56 1.13 -0.64 -4.95 117.38 116.80 1zj4 n GLN 54 Ca 0.01 -2.74 0.00 0.00 -1.94 0.00 0.00 57.00 52.33 1zj4 n GLN 54 Cb 0.21 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 28.82 1zj4 n GLN 54 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1zj4 n GLY 55 N 1.05 0.76 3.65 1.08 0.00 -0.58 -5.06 105.19 106.10 1zj4 n GLY 55 Ca 0.23 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1zj4 n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1zj4 s TYR 56 N -2.00 2.57 0.36 1.61 2.02 -0.35 -4.56 117.35 117.00 1zj4 s TYR 56 Ca 0.00 -0.44 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 1zj4 s TYR 56 Cb 0.00 -1.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1zj4 s TYR 56 CO 0.00 0.44 0.51 0.00 -1.57 0.00 0.00 175.55 174.93 1zj4 s ALA 57 N -2.51 4.14 -0.06 3.71 0.00 -0.30 -3.94 121.76 122.80 1zj4 s ALA 57 Ca 0.35 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 1zj4 s ALA 57 Cb -0.00 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1zj4 s ALA 57 CO 0.20 -0.10 0.28 0.00 0.00 0.00 0.00 175.76 176.14 1zj4 s ALA 58 N -2.25 -0.70 -0.10 0.00 0.00 -0.25 -0.43 121.76 118.03 1zj4 s ALA 58 Ca 0.45 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 1zj4 s ALA 58 Cb -0.10 -0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.87 1zj4 s ALA 58 CO 0.32 -0.20 -0.04 0.08 0.00 0.00 0.00 175.76 175.93 1zj4 s VAL 59 N -0.64 0.73 -0.43 0.00 1.01 0.08 -0.23 120.40 120.91 1zj4 s VAL 59 Ca -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1zj4 s VAL 59 Cb -0.04 -0.82 0.12 0.00 0.00 0.00 0.00 36.38 35.63 1zj4 s VAL 59 CO 0.02 0.31 0.23 0.00 0.00 0.00 0.00 175.10 175.66 1zj4 s PRO 61 N 0.94 3.92 -1.03 0.00 0.04 -1.26 -0.41 135.00 137.20 1zj4 s PRO 61 Ca 0.10 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 1zj4 s PRO 61 Cb -0.22 -2.31 0.06 0.00 0.04 0.00 0.00 34.50 32.07 1zj4 s PRO 61 CO -0.04 -0.35 1.45 0.34 0.04 0.00 0.00 177.00 178.43 1zj4 s ASP 62 N -1.73 6.53 0.45 6.66 2.15 0.32 -4.71 116.67 126.34 1zj4 s ASP 62 Ca 0.63 -1.54 0.29 0.00 0.43 0.00 0.00 52.55 52.37 1zj4 s ASP 62 Cb -0.20 -2.56 1.05 0.00 -0.30 0.00 0.00 42.92 40.91 1zj4 s ASP 62 CO 0.25 -1.47 1.84 -0.07 -0.17 0.00 0.00 175.17 175.56 1zj4 h LEU 63 N 12.64 0.00 -0.78 -1.34 3.38 -1.93 -2.09 115.31 125.21 1zj4 h LEU 63 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1zj4 h LEU 63 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1zj4 h LEU 63 CO 1.41 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 178.72 1zj4 n TYR 64 N -2.86 0.28 0.33 1.13 4.01 -1.26 -4.17 117.16 114.62 1zj4 n TYR 64 Ca 0.02 -0.14 0.15 0.00 -0.16 0.00 0.00 57.90 57.77 1zj4 n TYR 64 Cb 0.34 -0.00 0.64 0.00 -0.31 0.00 0.00 39.34 40.01 1zj4 n TYR 64 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1zj4 h ALA 65 N 3.39 1.00 0.00 -0.72 0.00 -1.61 0.30 119.26 121.62 1zj4 h ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zj4 h ALA 65 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1zj4 h ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1zj4 h ARG 66 N 0.00 0.00 0.00 0.00 3.08 -1.84 -3.36 114.38 112.26 1zj4 h ARG 66 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1zj4 h ARG 66 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1zj4 h ARG 66 CO 0.00 0.00 -1.65 1.04 -1.07 0.00 0.00 179.97 178.29 1zj4 n GLN 67 N -2.68 0.28 -2.89 0.04 6.02 -0.48 -4.99 117.38 112.68 1zj4 n GLN 67 Ca 0.04 0.07 -0.02 0.00 -0.01 0.00 0.00 57.00 57.09 1zj4 n GLN 67 Cb 0.46 -1.17 0.01 0.00 1.02 0.00 0.00 30.24 30.55 1zj4 n GLN 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1zj4 s ALA 68 N -2.22 -2.87 0.21 -1.58 0.00 0.95 -5.15 121.76 111.10 1zj4 s ALA 68 Ca -0.15 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 1zj4 s ALA 68 Cb 0.04 -2.81 -0.15 0.00 0.00 0.00 0.00 23.12 20.21 1zj4 s ALA 68 CO 0.25 -2.31 1.05 -2.30 0.00 0.00 0.00 175.76 172.45 1zj4 n PRO 69 N 3.43 1.12 -1.09 0.00 -0.02 -1.24 -2.64 135.00 134.56 1zj4 n PRO 69 Ca 0.13 0.40 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 1zj4 n PRO 69 Cb 0.59 -1.81 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 1zj4 n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zj4 n GLY 70 N 1.73 0.63 3.68 -1.23 0.00 -1.26 -4.98 105.19 103.75 1zj4 n GLY 70 Ca 0.13 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1zj4 n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zj4 s THR 71 N -2.06 3.31 -0.29 2.61 2.01 -1.08 -4.74 115.64 115.38 1zj4 s THR 71 Ca 0.00 0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.59 1zj4 s THR 71 Cb 0.00 -3.39 0.12 0.00 0.01 0.00 0.00 72.50 69.24 1zj4 s THR 71 CO 0.00 -0.02 0.21 0.00 -0.69 0.00 0.00 174.62 174.12 1zj4 s ALA 72 N 3.18 0.12 -0.11 7.40 0.00 -1.26 -2.98 121.76 128.11 1zj4 s ALA 72 Ca 0.73 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 1zj4 s ALA 72 Cb -0.37 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1zj4 s ALA 72 CO 0.31 -1.71 0.13 -0.51 0.00 0.00 0.00 175.76 173.98 1zj4 s LEU 73 N 2.16 4.31 -0.43 0.00 1.43 0.44 -4.96 118.68 121.63 1zj4 s LEU 73 Ca 0.10 0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 53.37 1zj4 s LEU 73 Cb -0.15 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1zj4 s LEU 73 CO -0.33 0.40 0.96 -0.62 0.23 0.00 0.00 176.35 177.00 1zj4 s ASP 74 N -1.04 6.59 0.28 2.29 -1.08 -1.26 -4.85 116.67 117.60 1zj4 s ASP 74 Ca 0.15 0.34 0.22 0.00 -0.52 0.00 0.00 52.55 52.74 1zj4 s ASP 74 Cb -0.12 -2.47 1.05 0.00 -1.46 0.00 0.00 42.92 39.92 1zj4 s ASP 74 CO 0.04 -1.02 1.66 -0.81 0.52 0.00 0.00 175.17 175.56 1zj4 n PRO 75 N 7.15 0.15 0.00 4.34 -0.04 -1.26 -1.55 135.00 143.80 1zj4 n PRO 75 Ca 0.08 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 1zj4 n PRO 75 Cb 0.48 -1.91 0.54 0.00 -0.04 0.00 0.00 33.50 32.58 1zj4 n PRO 75 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1zj4 n GLN 76 N -2.22 1.45 -3.73 0.54 6.02 -1.26 -4.81 117.38 113.37 1zj4 n GLN 76 Ca 0.00 -0.79 -0.37 0.00 -0.01 0.00 0.00 57.00 55.83 1zj4 n GLN 76 Cb 0.11 -1.48 -0.12 0.00 1.02 0.00 0.00 30.24 29.76 1zj4 n GLN 76 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1zj4 s ASP 77 N -2.09 5.21 0.19 1.08 -1.08 -0.59 -5.00 116.67 114.38 1zj4 s ASP 77 Ca 0.36 -0.35 -0.12 0.00 -0.52 0.00 0.00 52.55 51.92 1zj4 s ASP 77 Cb 0.21 -1.93 0.19 0.00 -1.46 0.00 0.00 42.92 39.92 1zj4 s ASP 77 CO 0.37 -0.09 1.74 -0.33 0.52 0.00 0.00 175.17 177.38 1zj4 h GLU 78 N 8.26 0.31 -0.35 4.34 5.08 -1.87 0.12 114.58 130.47 1zj4 h GLU 78 Ca -0.36 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1zj4 h GLU 78 Cb 1.16 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1zj4 h GLU 78 CO 0.59 0.20 -0.14 0.07 -1.00 0.00 0.00 179.01 178.74 1zj4 h ARG 79 N 0.32 0.63 -0.12 2.33 -0.00 -1.94 -1.14 114.38 114.45 1zj4 h ARG 79 Ca 0.25 -0.20 -0.13 0.00 -0.00 0.00 0.00 59.98 59.89 1zj4 h ARG 79 Cb 0.29 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.19 1zj4 h ARG 79 CO -0.28 0.75 -0.50 1.96 -0.00 0.00 0.00 179.97 181.90 1zj4 h GLN 80 N 0.57 0.33 -0.83 0.08 4.20 -1.60 -1.80 115.11 116.06 1zj4 h GLN 80 Ca 0.10 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1zj4 h GLN 80 Cb 0.57 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1zj4 h GLN 80 CO 0.04 0.76 0.47 0.00 -0.67 0.00 0.00 178.83 179.43 1zj4 h ARG 81 N 0.26 1.15 -0.47 1.46 3.08 -0.33 -0.03 114.38 119.50 1zj4 h ARG 81 Ca 0.01 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1zj4 h ARG 81 Cb 0.98 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 1zj4 h ARG 81 CO 0.08 0.83 0.11 0.93 -1.07 0.00 0.00 179.97 180.85 1zj4 h GLU 82 N 1.15 0.70 -0.59 0.04 5.08 -0.77 -0.43 114.58 119.77 1zj4 h GLU 82 Ca 0.30 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1zj4 h GLU 82 Cb 0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1zj4 h GLU 82 CO -0.05 0.64 -0.00 0.37 -1.00 0.00 0.00 179.01 178.97 1zj4 h GLN 83 N 0.68 1.03 -0.23 2.33 5.75 -0.96 -1.75 115.11 121.96 1zj4 h GLN 83 Ca 0.15 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1zj4 h GLN 83 Cb 0.26 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1zj4 h GLN 83 CO -0.00 1.01 0.13 0.00 -2.65 0.00 0.00 178.83 177.31 1zj4 h ALA 84 N 1.04 0.29 -0.83 3.38 0.00 0.16 -0.26 119.26 123.04 1zj4 h ALA 84 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1zj4 h ALA 84 Cb 0.55 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1zj4 h ALA 84 CO 0.03 -0.18 0.55 1.88 0.00 0.00 0.00 179.25 181.53 1zj4 h TYR 85 N 0.26 1.05 -0.31 0.00 0.05 -0.91 0.30 116.97 117.42 1zj4 h TYR 85 Ca 0.08 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1zj4 h TYR 85 Cb 0.06 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 1zj4 h TYR 85 CO -0.04 0.67 0.20 -0.22 -1.05 0.00 0.00 178.16 177.72 1zj4 h LYS 86 N 1.13 0.42 -0.64 4.88 3.64 -0.92 0.08 116.57 125.16 1zj4 h LYS 86 Ca 0.30 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1zj4 h LYS 86 Cb -0.12 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1zj4 h LYS 86 CO -0.06 0.30 0.14 -0.07 -2.27 0.00 0.00 179.45 177.49 1zj4 h LEU 87 N 0.41 0.96 -0.46 5.20 3.38 -0.80 -1.99 115.31 122.01 1zj4 h LEU 87 Ca 0.11 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1zj4 h LEU 87 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1zj4 h LEU 87 CO -0.02 0.93 -0.03 -0.25 0.09 0.00 0.00 178.44 179.16 1zj4 h TRP 88 N 0.97 0.91 -0.15 1.13 7.01 -0.72 -1.00 115.95 124.09 1zj4 h TRP 88 Ca 0.20 -0.17 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1zj4 h TRP 88 Cb 0.36 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 1zj4 h TRP 88 CO 0.03 0.89 -0.04 0.37 -2.79 0.00 0.00 178.44 176.89 1zj4 h GLN 89 N 0.67 0.22 -0.02 2.65 5.75 -0.60 -1.09 115.11 122.71 1zj4 h GLN 89 Ca 0.13 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1zj4 h GLN 89 Cb 0.54 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1zj4 h GLN 89 CO 0.03 0.29 -0.05 0.00 -2.65 0.00 0.00 178.83 176.45 1zj4 n ALA 90 N -2.50 2.67 -1.96 3.38 0.00 -0.78 -4.95 120.51 116.37 1zj4 n ALA 90 Ca -0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 1zj4 n ALA 90 Cb 0.20 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1zj4 n ALA 90 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1zj4 s PHE 91 N -2.09 3.17 -0.55 0.00 5.36 -0.41 -4.96 117.98 118.50 1zj4 s PHE 91 Ca 0.34 1.12 -0.20 0.00 -0.96 0.00 0.00 56.93 57.24 1zj4 s PHE 91 Cb 0.21 -3.69 0.07 0.00 -0.34 0.00 0.00 43.02 39.26 1zj4 s PHE 91 CO 0.37 -2.22 0.72 0.34 -1.46 0.00 0.00 175.22 172.96 1zj4 s ASP 92 N 0.40 6.22 0.18 6.13 -1.08 -1.26 -4.94 116.67 122.31 1zj4 s ASP 92 Ca 0.58 -1.03 -0.13 0.00 -0.52 0.00 0.00 52.55 51.46 1zj4 s ASP 92 Cb -0.39 -2.32 0.14 0.00 -1.46 0.00 0.00 42.92 38.90 1zj4 s ASP 92 CO 0.39 -1.05 1.78 0.24 0.52 0.00 0.00 175.17 177.05 1zj4 h MET 93 N 9.15 0.48 -0.41 4.34 2.86 -1.97 -0.44 114.93 128.94 1zj4 h MET 93 Ca -0.28 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 1zj4 h MET 93 Cb 1.09 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1zj4 h MET 93 CO 1.04 0.32 0.00 0.93 1.06 0.00 0.00 176.91 180.26 1zj4 h GLU 94 N 0.49 0.65 -0.06 1.72 5.08 -1.99 -0.16 114.58 120.32 1zj4 h GLU 94 Ca 0.23 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 1zj4 h GLU 94 Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1zj4 h GLU 94 CO -0.16 0.67 -0.62 0.00 -1.00 0.00 0.00 179.01 177.89 1zj4 h ALA 95 N 1.39 0.85 -0.41 3.43 0.00 -1.91 -1.36 119.26 121.25 1zj4 h ALA 95 Ca 0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1zj4 h ALA 95 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1zj4 h ALA 95 CO 0.01 0.74 0.12 0.78 0.00 0.00 0.00 179.25 180.91 1zj4 h GLY 96 N 1.55 0.69 0.95 0.00 0.00 0.11 0.01 103.07 106.38 1zj4 h GLY 96 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1zj4 h GLY 96 CO 0.09 0.39 0.45 -2.08 0.00 0.00 0.00 176.54 175.39 1zj4 h VAL 97 N 0.52 1.14 -0.40 4.60 2.07 -0.77 -0.59 116.25 122.82 1zj4 h VAL 97 Ca 0.13 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1zj4 h VAL 97 Cb 0.28 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1zj4 h VAL 97 CO -0.00 0.16 -0.04 1.23 0.02 0.00 0.00 177.57 178.94 1zj4 h GLY 98 N 0.90 0.71 1.01 2.17 0.00 -0.82 0.30 103.07 107.34 1zj4 h GLY 98 Ca 0.26 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 1zj4 h GLY 98 CO -0.08 0.43 -0.20 -0.55 0.00 0.00 0.00 176.54 176.15 1zj4 h ASP 99 N 0.61 0.82 -0.44 0.19 3.32 -0.76 -1.99 116.42 118.18 1zj4 h ASP 99 Ca 0.12 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1zj4 h ASP 99 Cb 0.44 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1zj4 h ASP 99 CO 0.02 1.05 0.14 -0.07 -1.72 0.00 0.00 179.24 178.66 1zj4 h LEU 100 N 0.59 0.70 -0.44 1.55 3.38 -0.76 0.05 115.31 120.39 1zj4 h LEU 100 Ca 0.08 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1zj4 h LEU 100 Cb 0.75 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1zj4 h LEU 100 CO 0.06 0.67 0.22 -0.08 0.09 0.00 0.00 178.44 179.40 1zj4 h GLU 101 N 0.73 0.43 -0.61 1.13 4.22 -0.56 0.96 114.58 120.88 1zj4 h GLU 101 Ca 0.17 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.50 1zj4 h GLU 101 Cb 0.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1zj4 h GLU 101 CO -0.01 0.28 0.06 0.00 -2.18 0.00 0.00 179.01 177.17 1zj4 h ALA 102 N 1.23 0.96 -0.26 2.92 0.00 -0.89 -1.27 119.26 121.95 1zj4 h ALA 102 Ca 0.19 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1zj4 h ALA 102 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1zj4 h ALA 102 CO -0.13 0.64 -0.30 0.00 0.00 0.00 0.00 179.25 179.46 1zj4 h ALA 103 N 1.11 1.00 -0.25 0.00 0.00 -0.10 -0.34 119.26 120.68 1zj4 h ALA 103 Ca 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1zj4 h ALA 103 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1zj4 h ALA 103 CO 0.02 0.60 0.03 0.82 0.00 0.00 0.00 179.25 180.72 1zj4 h ILE 104 N 0.45 1.23 -0.39 0.00 2.04 -0.55 -0.27 117.51 120.02 1zj4 h ILE 104 Ca 0.06 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.16 1zj4 h ILE 104 Cb 0.76 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1zj4 h ILE 104 CO 0.06 0.25 0.18 0.03 0.00 0.00 0.00 178.15 178.67 1zj4 h ARG 105 N 0.22 0.36 -0.28 2.37 3.08 -0.88 -0.71 114.38 118.55 1zj4 h ARG 105 Ca 0.07 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1zj4 h ARG 105 Cb 0.34 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1zj4 h ARG 105 CO 0.01 0.24 0.02 -0.92 -1.07 0.00 0.00 179.97 178.24 1zj4 h TYR 106 N 0.37 0.01 -1.00 3.04 3.20 -0.96 -2.54 116.97 119.11 1zj4 h TYR 106 Ca 0.17 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.14 1zj4 h TYR 106 Cb 0.10 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.33 1zj4 h TYR 106 CO -0.11 -0.03 0.64 0.00 -1.64 0.00 0.00 178.16 177.03 1zj4 h ALA 107 N 1.23 1.44 0.00 1.82 0.00 -0.57 -2.11 119.26 121.07 1zj4 h ALA 107 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1zj4 h ALA 107 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1zj4 h ALA 107 CO -0.21 0.38 -0.32 0.00 0.00 0.00 0.00 179.25 179.10 1zj4 h ARG 108 N 1.13 0.00 -0.40 0.00 3.08 -0.71 -3.05 114.38 114.42 1zj4 h ARG 108 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1zj4 h ARG 108 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1zj4 h ARG 108 CO -0.20 0.32 0.00 0.72 -1.07 0.00 0.00 179.97 179.75 1zj4 n HIS 109 N -4.08 0.52 -2.48 3.04 8.25 -0.81 -4.60 115.22 115.06 1zj4 n HIS 109 Ca -0.02 -0.26 -0.35 0.00 -0.26 0.00 0.00 57.72 56.83 1zj4 n HIS 109 Cb 0.37 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 1zj4 n HIS 109 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1zj4 s GLN 110 N -1.48 3.88 0.48 -0.41 -1.52 -1.14 -4.91 119.66 114.55 1zj4 s GLN 110 Ca 0.37 1.48 0.22 0.00 -1.95 0.00 0.00 55.36 55.49 1zj4 s GLN 110 Cb 0.21 -2.27 1.25 0.00 -0.22 0.00 0.00 33.01 31.97 1zj4 s GLN 110 CO 0.29 -0.38 1.92 -1.00 -0.25 0.00 0.00 175.29 175.86 1zj4 h PRO 111 N 1.90 0.20 -0.08 2.91 0.13 -1.93 -1.19 132.00 133.94 1zj4 h PRO 111 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1zj4 h PRO 111 Cb 1.23 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1zj4 h PRO 111 CO 0.60 0.14 0.00 2.48 -0.23 0.00 0.00 178.00 180.99 1zj4 n TYR 112 N -4.41 0.09 -2.11 1.56 0.18 -1.26 -4.93 117.16 106.28 1zj4 n TYR 112 Ca 0.15 -0.05 -0.40 0.00 1.88 0.00 0.00 57.90 59.49 1zj4 n TYR 112 Cb 0.69 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.64 1zj4 n TYR 112 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1zj4 s SER 113 N -1.83 6.57 0.00 9.48 0.15 -0.45 -0.40 113.70 127.21 1zj4 s SER 113 Ca 0.35 2.64 0.21 0.00 0.70 0.00 0.00 55.95 59.86 1zj4 s SER 113 Cb 0.20 -2.64 0.72 0.00 -1.71 0.00 0.00 66.02 62.58 1zj4 s SER 113 CO 0.31 -0.67 1.53 -0.46 1.20 0.00 0.00 173.24 175.15 1zj4 n ASN 114 N 0.46 1.85 0.00 5.45 6.94 -0.33 -4.61 115.26 125.02 1zj4 n ASN 114 Ca 0.02 -1.74 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 1zj4 n ASN 114 Cb 0.43 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1zj4 n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1zj4 n GLY 115 N 1.17 2.17 3.83 4.83 0.00 -1.26 -4.97 105.19 110.96 1zj4 n GLY 115 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1zj4 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zj4 s LYS 116 N -0.91 3.82 -0.04 1.61 -0.14 -1.26 -4.94 119.74 117.87 1zj4 s LYS 116 Ca 0.00 0.13 0.03 0.00 -1.36 0.00 0.00 55.97 54.77 1zj4 s LYS 116 Cb 0.00 -3.26 0.01 0.00 -1.68 0.00 0.00 37.83 32.90 1zj4 s LYS 116 CO 0.00 0.62 -0.11 0.08 -0.76 0.00 0.00 175.35 175.18 1zj4 s VAL 117 N -0.71 1.01 0.39 3.17 1.01 -1.26 -1.94 120.40 122.07 1zj4 s VAL 117 Ca 0.19 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.78 1zj4 s VAL 117 Cb -0.14 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 1zj4 s VAL 117 CO 0.08 0.32 -0.00 -0.83 0.00 0.00 0.00 175.10 174.66 1zj4 s GLY 118 N 0.38 2.41 -0.02 4.51 0.00 -0.34 -1.05 107.32 113.22 1zj4 s GLY 118 Ca -0.08 -2.25 0.02 0.00 0.00 0.00 0.00 44.72 42.41 1zj4 s GLY 118 CO 0.02 -2.06 -0.05 -2.27 0.00 0.00 0.00 173.10 168.73 1zj4 s LEU 119 N -3.67 1.76 -0.09 0.66 0.20 0.03 -0.86 118.68 116.71 1zj4 s LEU 119 Ca 0.35 -0.11 0.02 0.00 0.69 0.00 0.00 54.13 55.07 1zj4 s LEU 119 Cb 0.09 -0.35 0.01 0.00 -0.43 0.00 0.00 46.19 45.51 1zj4 s LEU 119 CO 0.17 0.03 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.44 1zj4 s VAL 120 N 0.24 1.31 0.08 1.68 1.01 -0.06 -0.47 120.40 124.19 1zj4 s VAL 120 Ca -0.03 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1zj4 s VAL 120 Cb -0.07 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1zj4 s VAL 120 CO -0.00 0.40 -0.19 -0.83 0.00 0.00 0.00 175.10 174.48 1zj4 s GLY 121 N 0.83 1.12 0.00 4.51 0.00 0.62 -0.23 107.32 114.17 1zj4 s GLY 121 Ca -0.11 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 43.48 1zj4 s GLY 121 CO 0.01 -1.13 0.16 -1.72 0.00 0.00 0.00 173.10 170.42 1zj4 n TYR 122 N 1.31 0.00 0.00 1.90 4.02 -0.80 -0.39 117.16 123.19 1zj4 n TYR 122 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1zj4 n TYR 122 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1zj4 n TYR 122 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1zj4 n LEU 124 N -0.74 0.00 0.24 7.72 7.94 -1.26 -3.51 117.00 127.39 1zj4 n LEU 124 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 1zj4 n LEU 124 Cb 0.01 0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.37 1zj4 n LEU 124 CO 0.01 0.00 0.85 1.23 -1.11 0.00 0.00 177.39 178.37 1zj4 h GLY 125 N 0.00 0.00 1.06 -3.96 0.00 -0.86 -3.08 103.07 96.22 1zj4 h GLY 125 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1zj4 h GLY 125 CO 0.00 0.00 -0.07 -1.33 0.00 0.00 0.00 176.54 175.14 1zj4 h GLY 126 N 2.86 1.05 0.99 4.60 0.00 -1.63 0.29 103.07 111.22 1zj4 h GLY 126 Ca -0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 1zj4 h GLY 126 CO 0.01 0.76 -0.07 0.00 0.00 0.00 0.00 176.54 177.24 1zj4 h ALA 127 N 0.92 0.58 -0.78 3.60 0.00 -1.80 -2.61 119.26 119.17 1zj4 h ALA 127 Ca 0.14 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1zj4 h ALA 127 Cb 0.63 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1zj4 h ALA 127 CO 0.04 0.43 0.41 -0.07 0.00 0.00 0.00 179.25 180.06 1zj4 h LEU 128 N 0.62 0.98 -1.20 0.00 3.38 -1.40 -1.53 115.31 116.15 1zj4 h LEU 128 Ca 0.11 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1zj4 h LEU 128 Cb 0.59 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1zj4 h LEU 128 CO 0.04 0.79 0.56 0.00 0.09 0.00 0.00 178.44 179.92 1zj4 h ALA 129 N 1.36 1.50 -0.30 1.53 0.00 -0.08 0.12 119.26 123.39 1zj4 h ALA 129 Ca 0.27 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1zj4 h ALA 129 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1zj4 h ALA 129 CO -0.04 0.40 -0.32 0.35 0.00 0.00 0.00 179.25 179.64 1zj4 h PHE 130 N 1.02 0.91 -0.78 0.00 3.57 -0.96 0.47 116.94 121.18 1zj4 h PHE 130 Ca 0.34 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1zj4 h PHE 130 Cb 0.08 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 1zj4 h PHE 130 CO -0.00 1.05 0.37 -0.07 -2.23 0.00 0.00 178.31 177.43 1zj4 h LEU 131 N 0.52 1.03 -0.95 0.59 3.38 -0.71 -0.67 115.31 118.50 1zj4 h LEU 131 Ca 0.05 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1zj4 h LEU 131 Cb 0.90 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1zj4 h LEU 131 CO 0.08 0.88 -0.06 0.58 0.09 0.00 0.00 178.44 180.00 1zj4 h VAL 132 N 1.10 1.24 -0.64 1.22 2.07 -0.62 -2.17 116.25 118.46 1zj4 h VAL 132 Ca 0.27 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1zj4 h VAL 132 Cb 0.12 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1zj4 h VAL 132 CO -0.03 0.36 0.06 0.00 0.02 0.00 0.00 177.57 177.98 1zj4 h ALA 133 N 1.29 0.90 -0.35 1.67 0.00 -0.08 0.38 119.26 123.07 1zj4 h ALA 133 Ca 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1zj4 h ALA 133 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1zj4 h ALA 133 CO 0.03 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.94 1zj4 h ALA 134 N 1.05 1.35 -0.00 0.00 0.00 -0.88 -2.41 119.26 118.36 1zj4 h ALA 134 Ca 0.19 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1zj4 h ALA 134 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1zj4 h ALA 134 CO 0.02 0.45 -0.74 0.87 0.00 0.00 0.00 179.25 179.85 1zj4 h LYS 135 N 0.52 0.02 0.00 0.00 1.79 -0.72 -3.39 116.57 114.78 1zj4 h LYS 135 Ca 0.11 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1zj4 h LYS 135 Cb 0.34 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1zj4 h LYS 135 CO 0.01 0.75 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 1zj4 n GLY 136 N 0.59 0.62 0.25 3.86 0.00 0.05 -4.99 105.19 105.58 1zj4 n GLY 136 Ca -0.01 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.39 1zj4 n GLY 136 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1zj4 h TYR 137 N 0.00 0.00 -2.15 1.61 0.05 -1.83 -3.46 116.97 111.18 1zj4 h TYR 137 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 1zj4 h TYR 137 Cb 0.72 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.32 1zj4 h TYR 137 CO 0.00 0.00 -0.69 0.14 -1.05 0.00 0.00 178.16 176.56 1zj4 s VAL 138 N -3.44 2.13 0.16 -2.88 -7.23 -1.26 -4.97 120.40 102.90 1zj4 s VAL 138 Ca 0.04 -2.21 -0.07 0.00 -1.81 0.00 0.00 61.98 57.92 1zj4 s VAL 138 Cb 0.07 -2.54 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 1zj4 s VAL 138 CO 0.60 -0.26 1.46 0.44 -0.31 0.00 0.00 175.10 177.03 1zj4 h ASP 139 N 2.12 0.80 -3.90 4.85 3.32 -1.42 -3.46 116.42 118.73 1zj4 h ASP 139 Ca -0.41 -0.43 -0.14 0.00 0.02 0.00 0.00 57.03 56.08 1zj4 h ASP 139 Cb 1.25 -0.23 -0.24 0.00 0.22 0.00 0.00 39.33 40.32 1zj4 h ASP 139 CO 0.68 1.18 -0.30 -0.13 -1.72 0.00 0.00 179.24 178.96 1zj4 s ARG 140 N -4.07 0.42 0.08 3.56 0.52 -1.23 -3.91 118.95 114.33 1zj4 s ARG 140 Ca -0.09 0.47 0.06 0.00 -0.52 0.00 0.00 55.73 55.65 1zj4 s ARG 140 Cb 0.11 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.75 1zj4 s ARG 140 CO 0.87 -0.05 -0.15 0.00 0.02 0.00 0.00 175.30 175.98 1zj4 s ALA 141 N 0.14 1.27 -0.01 2.13 0.00 -0.65 -0.79 121.76 123.86 1zj4 s ALA 141 Ca -0.00 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1zj4 s ALA 141 Cb -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1zj4 s ALA 141 CO 0.01 0.20 -0.01 0.08 0.00 0.00 0.00 175.76 176.03 1zj4 s VAL 142 N -1.27 0.16 -0.10 0.00 1.01 0.38 -0.58 120.40 120.01 1zj4 s VAL 142 Ca -0.01 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1zj4 s VAL 142 Cb -0.10 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1zj4 s VAL 142 CO 0.03 0.07 -0.12 -0.83 0.00 0.00 0.00 175.10 174.25 1zj4 s GLY 143 N 0.24 0.89 -0.22 4.51 0.00 0.02 -0.28 107.32 112.49 1zj4 s GLY 143 Ca -0.02 -0.57 -0.12 0.00 0.00 0.00 0.00 44.72 44.01 1zj4 s GLY 143 CO -0.01 0.39 0.22 -0.19 0.00 0.00 0.00 173.10 173.52 1zj4 s TYR 144 N 1.12 3.36 -0.95 1.90 1.51 0.47 -0.92 117.35 123.85 1zj4 s TYR 144 Ca -0.05 0.37 -0.14 0.00 -1.01 0.00 0.00 57.07 56.24 1zj4 s TYR 144 Cb -0.14 -2.32 0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1zj4 s TYR 144 CO -0.02 0.11 0.27 2.48 -1.11 0.00 0.00 175.55 177.27 1zj4 n TYR 145 N 4.12 -0.92 -1.79 2.71 0.18 0.11 -4.36 117.16 117.21 1zj4 n TYR 145 Ca -0.13 0.20 -0.42 0.00 1.88 0.00 0.00 57.90 59.43 1zj4 n TYR 145 Cb 0.52 -1.94 -0.03 0.00 -0.38 0.00 0.00 39.34 37.51 1zj4 n TYR 145 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1zj4 s GLY 146 N -3.97 1.37 0.25 -7.48 0.00 -1.26 -4.74 107.32 91.49 1zj4 s GLY 146 Ca 0.20 1.44 -0.25 0.00 0.00 0.00 0.00 44.72 46.12 1zj4 s GLY 146 CO 0.69 2.92 0.85 0.14 0.00 0.00 0.00 173.10 177.70 1zj4 s VAL 147 N 1.91 4.32 -0.41 1.40 1.01 -1.26 -4.14 120.40 123.24 1zj4 s VAL 147 Ca 0.76 1.69 0.00 0.00 0.00 0.00 0.00 61.98 64.43 1zj4 s VAL 147 Cb -0.46 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1zj4 s VAL 147 CO 0.33 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1zj4 n GLY 148 N 0.97 0.66 0.31 4.51 0.00 -1.26 -4.58 105.19 105.81 1zj4 n GLY 148 Ca -0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 1zj4 n GLY 148 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1zj4 h LEU 149 N 0.00 0.71 -2.09 0.99 3.38 -1.98 -2.69 115.31 113.63 1zj4 h LEU 149 Ca -0.08 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.87 1zj4 h LEU 149 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1zj4 h LEU 149 CO 0.11 0.62 0.13 1.05 0.09 0.00 0.00 178.44 180.44 1zj4 h GLU 150 N 0.79 0.00 0.00 1.13 9.09 -1.92 -1.07 114.58 122.59 1zj4 h GLU 150 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 1zj4 h GLU 150 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1zj4 h GLU 150 CO -0.02 0.00 0.00 0.87 0.05 0.00 0.00 179.01 179.91 1zj4 h LYS 151 N 0.00 0.00 -0.40 1.06 1.57 -1.89 -3.20 116.57 113.71 1zj4 h LYS 151 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1zj4 h LYS 151 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1zj4 h LYS 151 CO -0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 1zj4 n GLN 152 N -2.53 3.10 0.28 3.15 1.13 -0.41 -4.70 117.38 117.41 1zj4 n GLN 152 Ca 0.04 -2.52 0.13 0.00 -1.94 0.00 0.00 57.00 52.71 1zj4 n GLN 152 Cb 0.40 -1.61 0.84 0.00 0.11 0.00 0.00 30.24 29.97 1zj4 n GLN 152 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1zj4 h LEU 153 N 2.48 0.00 -2.72 1.08 3.38 -1.55 -1.18 115.31 116.80 1zj4 h LEU 153 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1zj4 h LEU 153 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1zj4 h LEU 153 CO 0.13 0.02 0.00 -0.55 0.09 0.00 0.00 178.44 178.13 1zj4 h ASN 154 N 0.00 0.00 0.31 -0.43 7.08 -1.88 0.28 115.58 120.94 1zj4 h ASN 154 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1zj4 h ASN 154 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 1zj4 h ASN 154 CO 0.00 0.00 -0.06 0.29 -2.08 0.00 0.00 177.43 175.59 1zj4 n LYS 155 N -3.08 0.76 -0.28 4.14 5.02 -0.44 -4.37 118.16 119.90 1zj4 n LYS 155 Ca -0.02 -0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.17 1zj4 n LYS 155 Cb 0.11 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 33.86 1zj4 n LYS 155 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1zj4 h VAL 156 N 0.46 0.57 0.00 -0.18 2.07 -1.09 -0.70 116.25 117.37 1zj4 h VAL 156 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1zj4 h VAL 156 Cb 0.28 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1zj4 h VAL 156 CO 0.00 0.08 0.00 -2.65 0.02 0.00 0.00 177.57 175.02 1zj4 n PRO 157 N -5.03 0.18 0.08 1.57 -0.02 -1.26 -2.39 135.00 128.13 1zj4 n PRO 157 Ca 0.18 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.24 1zj4 n PRO 157 Cb 0.52 -1.88 0.46 0.00 -0.02 0.00 0.00 33.50 32.58 1zj4 n PRO 157 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1zj4 n GLU 158 N -2.23 0.19 -2.51 -0.52 1.02 -0.27 -4.81 120.64 111.52 1zj4 n GLU 158 Ca 0.02 0.16 -0.43 0.00 -0.02 0.00 0.00 57.16 56.88 1zj4 n GLU 158 Cb 0.20 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 1zj4 n GLU 158 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1zj4 s VAL 159 N -3.07 4.40 -0.43 2.62 1.01 -1.01 -4.71 120.40 119.21 1zj4 s VAL 159 Ca 0.11 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.81 1zj4 s VAL 159 Cb 0.14 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1zj4 s VAL 159 CO 0.58 -0.21 0.58 0.29 0.00 0.00 0.00 175.10 176.34 1zj4 n LYS 160 N 6.61 0.04 -4.28 2.72 4.76 -1.26 -4.90 118.16 121.85 1zj4 n LYS 160 Ca 0.13 -0.66 -0.15 0.00 -2.87 0.00 0.00 58.31 54.76 1zj4 n LYS 160 Cb 0.45 -1.04 -0.10 0.00 -1.84 0.00 0.00 35.03 32.51 1zj4 n LYS 160 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1zj4 s HIS 161 N -0.39 1.39 0.45 2.13 3.76 -1.26 -5.11 115.29 116.26 1zj4 s HIS 161 Ca 0.04 -0.77 -0.24 0.00 -0.15 0.00 0.00 55.06 53.94 1zj4 s HIS 161 Cb 0.03 -0.72 -0.07 0.00 1.11 0.00 0.00 32.58 32.93 1zj4 s HIS 161 CO 0.05 0.09 1.27 -2.14 -0.85 0.00 0.00 174.74 173.17 1zj4 s PRO 162 N -3.76 3.73 -0.08 8.40 0.02 -1.25 -4.84 135.00 137.23 1zj4 s PRO 162 Ca 0.20 2.06 -0.05 0.00 0.02 0.00 0.00 61.00 63.23 1zj4 s PRO 162 Cb 0.03 -2.55 0.03 0.00 0.02 0.00 0.00 34.50 32.03 1zj4 s PRO 162 CO 0.03 -0.66 0.19 0.00 -0.33 0.00 0.00 177.00 176.23 1zj4 s ALA 163 N -1.35 -0.42 -0.04 -1.55 0.00 -0.27 -1.63 121.76 116.48 1zj4 s ALA 163 Ca 0.62 0.66 0.06 0.00 0.00 0.00 0.00 51.96 53.30 1zj4 s ALA 163 Cb -0.36 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1zj4 s ALA 163 CO 0.44 -0.13 -0.24 -1.17 0.00 0.00 0.00 175.76 174.67 1zj4 s LEU 164 N 0.63 2.04 -0.03 0.00 2.96 0.26 -0.96 118.68 123.57 1zj4 s LEU 164 Ca -0.04 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1zj4 s LEU 164 Cb -0.06 -1.28 -0.00 0.00 0.50 0.00 0.00 46.19 45.35 1zj4 s LEU 164 CO -0.03 0.25 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.76 1zj4 s PHE 165 N -0.26 1.26 -0.25 5.38 0.40 0.47 -0.80 117.98 124.17 1zj4 s PHE 165 Ca 0.00 -0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 55.95 1zj4 s PHE 165 Cb -0.12 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 1zj4 s PHE 165 CO 0.02 -0.11 0.03 -1.01 0.70 0.00 0.00 175.22 174.85 1zj4 s HIS 166 N 0.05 3.05 -0.13 0.36 3.76 -0.09 -1.22 115.29 121.08 1zj4 s HIS 166 Ca -0.02 -0.73 0.01 0.00 -0.15 0.00 0.00 55.06 54.17 1zj4 s HIS 166 Cb -0.09 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.40 1zj4 s HIS 166 CO 0.01 -0.47 -0.16 -1.64 -0.85 0.00 0.00 174.74 171.63 1zj4 s MET 167 N 1.54 3.29 0.04 1.40 -1.94 0.31 0.09 119.30 124.03 1zj4 s MET 167 Ca 0.05 -0.74 -0.30 0.00 -1.71 0.00 0.00 55.69 53.00 1zj4 s MET 167 Cb -0.15 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.08 1zj4 s MET 167 CO 0.01 0.17 0.99 0.20 -0.01 0.00 0.00 175.02 176.38 1zj4 s GLY 168 N 0.44 2.91 0.33 -0.03 0.00 -1.26 -0.83 107.32 108.88 1zj4 s GLY 168 Ca -0.11 0.57 0.26 0.00 0.00 0.00 0.00 44.72 45.44 1zj4 s GLY 168 CO 0.05 1.63 1.74 -1.33 0.00 0.00 0.00 173.10 175.19 1zj4 h GLY 169 N 6.36 0.00 -4.96 0.20 0.00 0.49 -3.41 103.07 101.74 1zj4 h GLY 169 Ca -0.42 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.27 1zj4 h GLY 169 CO 0.74 0.00 -0.54 1.20 0.00 0.00 0.00 176.54 177.94 1zj4 s GLN 170 N -3.23 3.22 0.49 4.80 -0.21 0.16 -4.82 119.66 120.07 1zj4 s GLN 170 Ca 0.08 -0.47 -0.21 0.00 0.02 0.00 0.00 55.36 54.78 1zj4 s GLN 170 Cb 0.09 -2.94 -0.08 0.00 1.00 0.00 0.00 33.01 31.09 1zj4 s GLN 170 CO 0.59 0.63 1.07 -0.51 -2.12 0.00 0.00 175.29 174.95 1zj4 s ASP 171 N -2.11 6.21 0.00 5.90 1.01 -1.26 -3.98 116.67 122.44 1zj4 s ASP 171 Ca 0.28 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.58 1zj4 s ASP 171 Cb -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1zj4 s ASP 171 CO 0.20 -0.87 0.00 1.57 0.21 0.00 0.00 175.17 176.28 1zj4 n HIS 172 N -0.91 0.00 -0.12 4.23 -0.00 -1.26 -4.83 115.22 112.33 1zj4 n HIS 172 Ca 0.09 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.02 1zj4 n HIS 172 Cb 0.51 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.28 1zj4 n HIS 172 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1zj4 n PHE 173 N 0.00 0.44 -3.16 1.57 3.72 -1.26 -4.87 117.46 113.91 1zj4 n PHE 173 Ca 0.00 0.19 -0.39 0.00 -0.05 0.00 0.00 57.45 57.20 1zj4 n PHE 173 Cb 0.00 -1.02 -0.06 0.00 -0.94 0.00 0.00 39.48 37.47 1zj4 n PHE 173 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1zj4 s VAL 174 N -2.46 4.85 0.80 -4.37 1.01 -1.26 -5.06 120.40 113.92 1zj4 s VAL 174 Ca -0.34 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 1zj4 s VAL 174 Cb 0.11 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.59 1zj4 s VAL 174 CO 0.52 0.42 1.11 -2.84 0.00 0.00 0.00 175.10 174.31 1zj4 s PRO 175 N -0.23 1.97 0.52 2.72 0.02 -1.26 -4.68 135.00 134.05 1zj4 s PRO 175 Ca 0.33 1.31 -0.19 0.00 0.02 0.00 0.00 61.00 62.47 1zj4 s PRO 175 Cb -0.19 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 1zj4 s PRO 175 CO 0.19 -1.88 1.06 0.00 -0.33 0.00 0.00 177.00 176.03 1zj4 s ALA 176 N -2.75 2.81 0.74 -1.55 0.00 -1.26 -4.91 121.76 114.84 1zj4 s ALA 176 Ca 0.64 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 1zj4 s ALA 176 Cb -0.19 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1zj4 s ALA 176 CO 0.55 -0.50 1.08 -1.25 0.00 0.00 0.00 175.76 175.64 1zj4 s PRO 177 N -3.39 2.57 -0.10 0.00 0.04 -1.26 -4.93 135.00 127.92 1zj4 s PRO 177 Ca 0.68 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 1zj4 s PRO 177 Cb -0.18 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1zj4 s PRO 177 CO 0.24 -1.32 1.75 0.45 0.04 0.00 0.00 177.00 178.16 1zj4 s SER 178 N -3.85 6.44 0.28 6.66 0.15 -1.26 -4.87 113.70 117.25 1zj4 s SER 178 Ca 0.59 2.11 -0.01 0.00 0.70 0.00 0.00 55.95 59.34 1zj4 s SER 178 Cb -0.14 -2.53 0.47 0.00 -1.71 0.00 0.00 66.02 62.11 1zj4 s SER 178 CO 0.55 -1.13 1.89 -0.09 1.20 0.00 0.00 173.24 175.65 1zj4 h ARG 179 N 10.55 1.07 0.17 5.44 2.43 -1.98 -2.02 114.38 130.05 1zj4 h ARG 179 Ca -0.40 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1zj4 h ARG 179 Cb 1.19 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1zj4 h ARG 179 CO 0.97 0.71 -0.08 0.37 -1.51 0.00 0.00 179.97 180.42 1zj4 h GLN 180 N 1.11 -0.22 -0.66 0.20 4.15 -1.99 -0.84 115.11 116.85 1zj4 h GLN 180 Ca 0.43 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.88 1zj4 h GLN 180 Cb 0.22 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 1zj4 h GLN 180 CO -0.17 0.14 0.42 -0.07 -1.93 0.00 0.00 178.83 177.22 1zj4 h LEU 181 N -0.63 0.70 -0.08 -2.39 4.07 -1.94 -1.07 115.31 113.97 1zj4 h LEU 181 Ca -0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1zj4 h LEU 181 Cb 0.47 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1zj4 h LEU 181 CO 0.04 0.49 -0.10 0.40 -1.08 0.00 0.00 178.44 178.20 1zj4 h ILE 182 N 0.84 1.38 -0.49 1.22 1.08 -1.38 -0.27 117.51 119.89 1zj4 h ILE 182 Ca 0.26 -1.30 0.02 0.00 -0.39 0.00 0.00 64.86 63.44 1zj4 h ILE 182 Cb -0.02 2.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 1zj4 h ILE 182 CO -0.09 0.36 0.29 0.74 -0.69 0.00 0.00 178.15 178.77 1zj4 h THR 183 N -0.25 1.06 -0.16 -0.27 2.02 -1.01 0.23 112.91 114.53 1zj4 h THR 183 Ca 0.01 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1zj4 h THR 183 Cb 0.63 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1zj4 h THR 183 CO 0.02 0.11 0.02 -0.33 0.37 0.00 0.00 175.52 175.71 1zj4 h GLU 184 N 0.59 0.27 0.19 6.66 5.08 -1.19 0.32 114.58 126.50 1zj4 h GLU 184 Ca 0.19 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1zj4 h GLU 184 Cb 0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1zj4 h GLU 184 CO -0.08 0.46 -0.15 0.78 -1.00 0.00 0.00 179.01 179.02 1zj4 h GLY 185 N 0.04 -0.34 1.75 -3.84 0.00 -0.66 -2.67 103.07 97.35 1zj4 h GLY 185 Ca 0.05 0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1zj4 h GLY 185 CO 0.00 -0.15 -0.26 0.74 0.00 0.00 0.00 176.54 176.88 1zj4 h PHE 186 N -0.35 0.32 -0.13 5.60 -1.00 -0.55 -3.13 116.94 117.69 1zj4 h PHE 186 Ca -0.01 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.75 1zj4 h PHE 186 Cb 0.31 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1zj4 h PHE 186 CO -0.11 0.53 0.22 0.78 -1.61 0.00 0.00 178.31 178.12 1zj4 h GLY 187 N 0.99 0.00 2.00 -1.45 0.00 -0.56 -0.96 103.07 103.10 1zj4 h GLY 187 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1zj4 h GLY 187 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.58 1zj4 n ALA 188 N -2.20 1.92 -3.76 3.60 0.00 -1.18 -4.46 120.51 114.42 1zj4 n ALA 188 Ca 0.01 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1zj4 n ALA 188 Cb 0.32 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.22 1zj4 n ALA 188 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1zj4 s ASN 189 N -3.95 3.60 0.00 0.00 3.84 -0.36 -5.00 114.94 113.06 1zj4 s ASN 189 Ca 0.08 -1.28 0.07 0.00 0.21 0.00 0.00 52.86 51.94 1zj4 s ASN 189 Cb 0.11 -0.80 0.33 0.00 -0.55 0.00 0.00 41.25 40.34 1zj4 s ASN 189 CO 0.45 -0.35 1.14 -0.81 -2.79 0.00 0.00 177.10 174.74 1zj4 n PRO 190 N 4.90 0.06 0.12 0.43 -0.04 -1.26 -1.25 135.00 137.97 1zj4 n PRO 190 Ca -0.06 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1zj4 n PRO 190 Cb 0.44 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.83 1zj4 n PRO 190 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1zj4 h LEU 191 N 0.00 0.00 -9.36 1.53 3.38 -1.91 -3.43 115.31 105.52 1zj4 h LEU 191 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1zj4 h LEU 191 Cb 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 1zj4 h LEU 191 CO 0.00 0.00 -0.40 -0.76 0.09 0.00 0.00 178.44 177.37 1zj4 s LEU 192 N -4.66 4.27 -0.05 1.67 1.43 -0.38 -1.12 118.68 119.84 1zj4 s LEU 192 Ca 0.08 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 1zj4 s LEU 192 Cb 0.11 -2.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1zj4 s LEU 192 CO 0.54 0.19 -0.18 -1.10 0.23 0.00 0.00 176.35 176.02 1zj4 s GLN 193 N 0.11 2.00 -0.00 1.70 -0.21 -0.14 -4.92 119.66 118.21 1zj4 s GLN 193 Ca 0.13 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.88 1zj4 s GLN 193 Cb -0.12 -1.69 -0.01 0.00 1.00 0.00 0.00 33.01 32.19 1zj4 s GLN 193 CO 0.02 0.23 -0.06 0.54 -2.12 0.00 0.00 175.29 173.90 1zj4 s VAL 194 N 0.11 0.51 0.03 1.09 0.11 -1.26 -0.39 120.40 120.60 1zj4 s VAL 194 Ca -0.07 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1zj4 s VAL 194 Cb -0.13 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1zj4 s VAL 194 CO 0.03 0.12 -0.18 -1.00 -3.33 0.00 0.00 175.10 170.74 1zj4 s HIS 195 N -0.20 1.60 -0.04 1.54 3.76 -0.36 -4.95 115.29 116.64 1zj4 s HIS 195 Ca 0.02 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.61 1zj4 s HIS 195 Cb -0.03 -0.96 -0.03 0.00 1.11 0.00 0.00 32.58 32.67 1zj4 s HIS 195 CO -0.00 0.06 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.24 1zj4 s TRP 196 N -0.75 2.74 -0.50 1.40 0.52 -1.26 -0.53 118.94 120.56 1zj4 s TRP 196 Ca 0.06 -0.13 0.02 0.00 0.02 0.00 0.00 56.10 56.07 1zj4 s TRP 196 Cb -0.08 -1.62 0.13 0.00 -1.15 0.00 0.00 33.47 30.75 1zj4 s TRP 196 CO 0.01 0.24 0.25 0.71 0.02 0.00 0.00 176.95 178.18 1zj4 s TYR 197 N -0.79 3.37 -0.12 -1.98 1.51 -0.01 -4.94 117.35 114.39 1zj4 s TYR 197 Ca 0.13 -3.00 0.29 0.00 -1.01 0.00 0.00 57.07 53.48 1zj4 s TYR 197 Cb -0.11 -2.95 1.30 0.00 -0.11 0.00 0.00 41.96 40.10 1zj4 s TYR 197 CO 0.02 -0.82 1.87 0.93 -1.11 0.00 0.00 175.55 176.44 1zj4 h GLU 198 N 6.93 0.00 -0.55 -0.62 5.08 -1.94 0.40 114.58 123.88 1zj4 h GLU 198 Ca -0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1zj4 h GLU 198 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1zj4 h GLU 198 CO 0.66 0.00 0.01 0.39 -1.00 0.00 0.00 179.01 179.07 1zj4 n GLU 199 N -2.63 4.74 -3.89 2.33 -0.58 -1.26 -4.38 120.64 114.97 1zj4 n GLU 199 Ca 0.01 -3.15 -0.10 0.00 -0.42 0.00 0.00 57.16 53.50 1zj4 n GLU 199 Cb 0.21 -2.24 -0.09 0.00 -0.57 0.00 0.00 31.44 28.76 1zj4 n GLU 199 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1zj4 s ALA 200 N -2.79 -0.18 0.00 0.62 0.00 -0.91 -4.99 121.76 113.51 1zj4 s ALA 200 Ca 0.54 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1zj4 s ALA 200 Cb 0.41 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1zj4 s ALA 200 CO 0.15 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1zj4 n GLY 201 N 0.59 4.31 3.68 0.00 0.00 -1.26 -0.66 105.19 111.85 1zj4 n GLY 201 Ca -0.18 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 1zj4 n GLY 201 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1zj4 s HIS 202 N 0.65 2.05 -1.35 1.61 -3.43 -1.26 -3.47 115.29 110.09 1zj4 s HIS 202 Ca 0.00 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 55.68 1zj4 s HIS 202 Cb 0.00 -3.17 0.00 0.00 -1.43 0.00 0.00 32.58 27.98 1zj4 s HIS 202 CO 0.00 -2.62 0.00 0.43 -2.00 0.00 0.00 174.74 170.55 1zj4 n SER 203 N -4.06 -4.52 0.24 7.38 7.64 -1.26 -4.70 113.62 114.33 1zj4 n SER 203 Ca 0.08 0.31 0.16 0.00 1.01 0.00 0.00 58.87 60.42 1zj4 n SER 203 Cb 0.54 -3.16 0.64 0.00 -1.01 0.00 0.00 64.21 61.23 1zj4 n SER 203 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 1zj4 h PHE 204 N 0.00 0.00 -0.01 1.43 -5.15 -1.67 -2.70 116.94 108.84 1zj4 h PHE 204 Ca -0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.51 1zj4 h PHE 204 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.01 1zj4 h PHE 204 CO 0.36 0.00 -0.13 0.00 -2.00 0.00 0.00 178.31 176.54 1zj4 n ALA 205 N -2.00 2.82 -2.93 12.09 0.00 -1.26 -1.83 120.51 127.40 1zj4 n ALA 205 Ca 0.01 -0.32 -0.38 0.00 0.00 0.00 0.00 53.44 52.75 1zj4 n ALA 205 Cb 0.28 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 1zj4 n ALA 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1zj4 s ARG 206 N -2.39 3.53 0.60 0.00 3.52 -1.02 -4.98 118.95 118.20 1zj4 s ARG 206 Ca 0.30 -0.58 0.33 0.00 -0.13 0.00 0.00 55.73 55.65 1zj4 s ARG 206 Cb 0.20 -3.47 1.89 0.00 -1.56 0.00 0.00 34.95 32.01 1zj4 s ARG 206 CO 0.46 -0.30 2.24 1.79 -0.81 0.00 0.00 175.30 178.69 1zj4 h THR 207 N 5.59 0.38 0.00 4.11 1.35 -1.88 -1.26 112.91 121.20 1zj4 h THR 207 Ca -0.35 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1zj4 h THR 207 Cb 1.16 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1zj4 h THR 207 CO 0.59 0.02 0.00 -1.54 -0.25 0.00 0.00 175.52 174.35 1zj4 n SER 208 N -3.58 0.00 -4.82 5.36 3.41 -1.26 -4.84 113.62 107.89 1zj4 n SER 208 Ca -0.03 -0.54 -0.36 0.00 -0.26 0.00 0.00 58.87 57.69 1zj4 n SER 208 Cb 0.12 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1zj4 n SER 208 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1zj4 s SER 209 N -2.29 6.98 0.12 4.04 0.15 -0.47 -4.87 113.70 117.34 1zj4 s SER 209 Ca 0.37 1.27 0.19 0.00 0.70 0.00 0.00 55.95 58.48 1zj4 s SER 209 Cb 0.20 -2.36 0.78 0.00 -1.71 0.00 0.00 66.02 62.94 1zj4 s SER 209 CO 0.40 0.09 1.58 -1.54 1.20 0.00 0.00 173.24 174.97 1zj4 n SER 210 N 0.89 0.30 -1.18 5.45 3.41 -1.26 -1.64 113.62 119.59 1zj4 n SER 210 Ca -0.04 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 1zj4 n SER 210 Cb 0.51 -0.64 0.25 0.00 -0.26 0.00 0.00 64.21 64.08 1zj4 n SER 210 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1zj4 n GLY 211 N 0.02 2.10 3.73 5.00 0.00 -1.26 -4.99 105.19 109.79 1zj4 n GLY 211 Ca 0.03 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1zj4 n GLY 211 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1zj4 n TYR 212 N 1.45 2.81 -3.83 1.61 9.36 -0.65 -3.91 117.16 123.99 1zj4 n TYR 212 Ca 0.21 0.09 -0.29 0.00 3.32 0.00 0.00 57.90 61.23 1zj4 n TYR 212 Cb 0.59 -2.66 -0.16 0.00 -0.63 0.00 0.00 39.34 36.48 1zj4 n TYR 212 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1zj4 s VAL 213 N 0.83 0.97 0.24 2.97 1.01 -0.76 -5.01 120.40 120.65 1zj4 s VAL 213 Ca 0.72 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1zj4 s VAL 213 Cb -0.50 -1.33 0.22 0.00 0.00 0.00 0.00 36.38 34.78 1zj4 s VAL 213 CO 0.37 -0.10 1.88 0.00 0.00 0.00 0.00 175.10 177.25 1zj4 h ALA 214 N 8.12 1.18 -0.26 5.51 0.00 -1.94 0.14 119.26 132.02 1zj4 h ALA 214 Ca -0.18 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1zj4 h ALA 214 Cb 1.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1zj4 h ALA 214 CO 0.37 0.43 -0.44 0.66 0.00 0.00 0.00 179.25 180.27 1zj4 h SER 215 N 1.12 0.70 -0.20 0.00 4.64 -1.96 -0.48 113.55 117.37 1zj4 h SER 215 Ca 0.36 -0.33 -0.14 0.00 -0.47 0.00 0.00 61.79 61.21 1zj4 h SER 215 Cb 0.01 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1zj4 h SER 215 CO -0.12 1.04 -0.43 0.00 -0.87 0.00 0.00 176.83 176.45 1zj4 h ALA 216 N 0.99 0.32 -0.27 5.18 0.00 -1.76 -1.79 119.26 121.93 1zj4 h ALA 216 Ca 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1zj4 h ALA 216 Cb 0.97 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1zj4 h ALA 216 CO 0.09 0.44 0.16 0.00 0.00 0.00 0.00 179.25 179.95 1zj4 h ALA 217 N 0.59 0.33 -0.33 0.00 0.00 -0.82 0.86 119.26 119.89 1zj4 h ALA 217 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1zj4 h ALA 217 Cb 1.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1zj4 h ALA 217 CO 0.09 -0.21 -0.11 0.00 0.00 0.00 0.00 179.25 179.03 1zj4 h ALA 218 N 1.11 0.46 -0.47 0.00 0.00 -1.04 0.82 119.26 120.14 1zj4 h ALA 218 Ca 0.10 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1zj4 h ALA 218 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1zj4 h ALA 218 CO -0.04 0.33 -0.07 1.25 0.00 0.00 0.00 179.25 180.72 1zj4 h LEU 219 N 0.44 0.88 -0.55 0.00 5.85 -1.19 0.53 115.31 121.27 1zj4 h LEU 219 Ca 0.08 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1zj4 h LEU 219 Cb 0.62 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1zj4 h LEU 219 CO 0.04 1.01 0.18 0.00 -0.34 0.00 0.00 178.44 179.33 1zj4 h ALA 220 N 0.89 0.72 -0.69 1.25 0.00 -0.64 -1.44 119.26 119.35 1zj4 h ALA 220 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1zj4 h ALA 220 Cb 0.60 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1zj4 h ALA 220 CO 0.04 0.37 0.26 -0.91 0.00 0.00 0.00 179.25 179.01 1zj4 h ASN 221 N 0.76 0.97 -0.67 0.00 2.35 -0.50 0.14 115.58 118.63 1zj4 h ASN 221 Ca 0.18 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1zj4 h ASN 221 Cb 0.26 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1zj4 h ASN 221 CO -0.01 0.89 0.17 1.05 -1.65 0.00 0.00 177.43 177.88 1zj4 h GLU 222 N 0.99 1.08 -0.60 0.81 4.11 -0.67 -0.75 114.58 119.55 1zj4 h GLU 222 Ca 0.23 -0.25 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 1zj4 h GLU 222 Cb 0.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1zj4 h GLU 222 CO -0.02 0.95 -0.00 0.00 0.07 0.00 0.00 179.01 180.01 1zj4 h ARG 223 N 1.03 1.06 -0.22 1.06 3.08 -0.71 -0.11 114.38 119.57 1zj4 h ARG 223 Ca 0.22 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1zj4 h ARG 223 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1zj4 h ARG 223 CO 0.00 1.04 0.14 1.15 -1.07 0.00 0.00 179.97 181.23 1zj4 h THR 224 N 0.97 1.08 -0.59 2.04 2.02 -0.41 -0.60 112.91 117.42 1zj4 h THR 224 Ca 0.17 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1zj4 h THR 224 Cb 0.56 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1zj4 h THR 224 CO 0.03 0.08 0.01 -0.07 0.37 0.00 0.00 175.52 175.94 1zj4 h LEU 225 N 0.28 1.03 -1.03 2.58 3.38 -0.96 0.62 115.31 121.20 1zj4 h LEU 225 Ca 0.08 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1zj4 h LEU 225 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1zj4 h LEU 225 CO -0.02 1.08 -0.02 0.44 0.09 0.00 0.00 178.44 180.02 1zj4 h ASP 226 N 0.94 0.65 0.19 -0.43 3.32 -0.92 -1.36 116.42 118.81 1zj4 h ASP 226 Ca 0.17 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1zj4 h ASP 226 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1zj4 h ASP 226 CO 0.03 0.73 -0.44 0.15 -1.72 0.00 0.00 179.24 177.99 1zj4 h PHE 227 N 0.64 0.37 0.00 4.55 3.57 -0.55 -3.21 116.94 122.32 1zj4 h PHE 227 Ca 0.13 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1zj4 h PHE 227 Cb 0.42 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1zj4 h PHE 227 CO 0.02 0.70 -0.77 -0.07 -2.23 0.00 0.00 178.31 175.96 1zj4 h LEU 228 N 0.26 0.00 -0.89 0.59 3.38 -0.62 -3.38 115.31 114.65 1zj4 h LEU 228 Ca 0.02 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1zj4 h LEU 228 Cb 0.88 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 1zj4 h LEU 228 CO 0.07 0.28 0.48 0.00 0.09 0.00 0.00 178.44 179.36 1zj4 h ALA 229 N 1.72 1.38 -0.05 1.53 0.00 -1.25 0.35 119.26 122.95 1zj4 h ALA 229 Ca -0.04 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1zj4 h ALA 229 Cb 1.25 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1zj4 h ALA 229 CO 0.03 -0.08 0.24 -1.35 0.00 0.00 0.00 179.25 178.09 1zj4 h PRO 230 N 0.65 0.00 0.00 0.00 0.11 -1.75 0.04 132.00 131.05 1zj4 h PRO 230 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1zj4 h PRO 230 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1zj4 h PRO 230 CO -0.37 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.35 1zj4 h LEU 231 N 0.00 0.00 -9.88 2.35 3.38 -1.22 -3.44 115.31 106.51 1zj4 h LEU 231 Ca 0.02 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.52 1zj4 h LEU 231 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1zj4 h LEU 231 CO -0.00 0.00 0.38 -1.10 0.09 0.00 0.00 178.44 177.81 1zj4 s GLN 232 N -3.66 4.53 0.00 1.13 -0.21 -0.00 -4.49 119.66 116.96 1zj4 s GLN 232 Ca 0.01 1.44 0.21 0.00 0.02 0.00 0.00 55.36 57.04 1zj4 s GLN 232 Cb 0.09 -2.84 1.24 0.00 1.00 0.00 0.00 33.01 32.50 1zj4 s GLN 232 CO 0.52 0.21 1.62 0.43 -2.12 0.00 0.00 175.29 175.95