#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j89 s PRO 5 N 0.00 3.72 -0.11 1.64 0.04 -1.26 -5.02 135.00 134.00 1j89 s PRO 5 Ca 0.00 0.38 -0.04 0.00 0.04 0.00 0.00 61.00 61.39 1j89 s PRO 5 Cb 0.00 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.18 1j89 s PRO 5 CO 0.00 -0.06 0.08 0.21 0.04 0.00 0.00 177.00 177.27 1j89 s LYS 6 N -4.02 -0.00 -0.05 4.56 2.20 -1.26 -4.22 119.74 116.94 1j89 s LYS 6 Ca 0.50 0.15 -0.30 0.00 -0.36 0.00 0.00 55.97 55.96 1j89 s LYS 6 Cb -0.10 -1.19 -0.05 0.00 -1.51 0.00 0.00 37.83 34.98 1j89 s LYS 6 CO 0.34 -0.51 1.56 0.08 -0.36 0.00 0.00 175.35 176.46 1j89 s VAL 7 N 2.16 3.66 0.27 4.02 1.01 -1.26 -2.51 120.40 127.75 1j89 s VAL 7 Ca 0.03 0.87 0.06 0.00 0.00 0.00 0.00 61.98 62.94 1j89 s VAL 7 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1j89 s VAL 7 CO -0.06 -0.06 0.29 -0.94 0.00 0.00 0.00 175.10 174.32 1j89 s SER 8 N 2.86 5.76 0.19 3.32 1.04 -0.27 -4.97 113.70 121.63 1j89 s SER 8 Ca 0.69 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.99 1j89 s SER 8 Cb -0.32 -1.45 -0.05 0.00 0.10 0.00 0.00 66.02 64.31 1j89 s SER 8 CO 0.27 -0.14 -0.12 -0.76 0.98 0.00 0.00 173.24 173.47 1j89 s LEU 9 N -3.94 2.53 -0.30 2.42 1.43 -1.26 -2.03 118.68 117.52 1j89 s LEU 9 Ca 0.36 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1j89 s LEU 9 Cb -0.08 -0.54 0.18 0.00 0.03 0.00 0.00 46.19 45.77 1j89 s LEU 9 CO 0.27 -0.25 0.62 0.21 0.23 0.00 0.00 176.35 177.43 1j89 s ASN 10 N -3.27 -1.33 1.06 2.29 2.47 -1.00 -4.15 114.94 111.01 1j89 s ASN 10 Ca 0.21 1.02 -0.17 0.00 0.42 0.00 0.00 52.86 54.34 1j89 s ASN 10 Cb 0.01 2.19 0.07 0.00 -1.45 0.00 0.00 41.25 42.07 1j89 s ASN 10 CO 0.05 -0.25 0.05 -2.65 -3.72 0.00 0.00 177.10 170.58 1j89 n PRO 11 N 5.43 -1.12 0.19 0.43 -0.02 -1.26 -2.27 135.00 136.38 1j89 n PRO 11 Ca -0.03 -0.30 0.05 0.00 -2.02 0.00 0.00 63.50 61.19 1j89 n PRO 11 Cb 0.51 -1.71 0.35 0.00 -0.02 0.00 0.00 33.50 32.63 1j89 n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j89 h PRO 12 N -1.86 0.00 -6.10 0.52 0.11 -1.94 -3.45 132.00 119.28 1j89 h PRO 12 Ca -0.50 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.94 1j89 h PRO 12 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1j89 h PRO 12 CO 0.36 0.38 1.22 0.91 -0.21 0.00 0.00 178.00 180.66 1j89 n TRP 13 N -3.60 1.92 -1.08 0.65 5.03 -1.26 -4.85 117.44 114.25 1j89 n TRP 13 Ca -0.01 0.24 -0.02 0.00 3.03 0.00 0.00 57.50 60.74 1j89 n TRP 13 Cb 0.49 -2.56 0.29 0.00 -1.03 0.00 0.00 31.31 28.51 1j89 n TRP 13 CO 0.00 0.00 0.00 0.27 -0.03 0.00 0.00 177.69 177.93 1j89 n ASN 14 N 8.03 4.45 -3.57 -0.99 6.94 -1.26 -4.71 115.26 124.15 1j89 n ASN 14 Ca 0.32 -3.23 -0.28 0.00 -0.02 0.00 0.00 54.58 51.37 1j89 n ASN 14 Cb 0.23 -0.69 -0.16 0.00 -2.36 0.00 0.00 39.78 36.80 1j89 n ASN 14 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1j89 s ARG 15 N -2.98 0.16 0.20 -3.83 0.52 -1.26 -2.87 118.95 108.89 1j89 s ARG 15 Ca 0.52 -0.39 0.09 0.00 -0.52 0.00 0.00 55.73 55.43 1j89 s ARG 15 Cb 0.42 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.43 1j89 s ARG 15 CO 0.11 -0.90 -0.18 0.96 0.02 0.00 0.00 175.30 175.32 1j89 s ILE 16 N 2.10 1.97 0.99 1.52 -4.36 0.45 -4.86 121.20 119.02 1j89 s ILE 16 Ca 0.07 -2.11 -0.17 0.00 -0.26 0.00 0.00 60.65 58.18 1j89 s ILE 16 Cb -0.16 -2.01 0.24 0.00 1.25 0.00 0.00 42.46 41.78 1j89 s ILE 16 CO -0.27 -0.39 0.89 0.49 0.24 0.00 0.00 174.94 175.90 1j89 n PHE 17 N -0.08 -3.73 -3.08 1.37 0.99 -1.26 0.10 117.46 111.77 1j89 n PHE 17 Ca -0.10 -0.81 -0.40 0.00 -0.00 0.00 0.00 57.45 56.15 1j89 n PHE 17 Cb 0.58 -0.92 -0.05 0.00 -1.00 0.00 0.00 39.48 38.10 1j89 n PHE 17 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1j89 s LYS 18 N -5.01 4.40 0.00 -1.08 2.20 -0.27 -3.95 119.74 116.03 1j89 s LYS 18 Ca 0.57 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.99 1j89 s LYS 18 Cb -0.06 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1j89 s LYS 18 CO 0.44 0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.88 1j89 n GLY 19 N 3.20 0.73 3.87 5.54 0.00 0.58 -4.80 105.19 114.30 1j89 n GLY 19 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1j89 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j89 s GLU 20 N -0.82 3.64 -0.01 1.61 2.02 -1.25 -3.44 118.70 120.46 1j89 s GLU 20 Ca 0.00 0.76 0.02 0.00 0.02 0.00 0.00 54.97 55.78 1j89 s GLU 20 Cb 0.00 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 1j89 s GLU 20 CO 0.00 -0.52 -0.05 -0.80 0.02 0.00 0.00 175.26 173.91 1j89 s ASN 21 N -4.04 4.76 0.02 -0.19 0.01 -1.26 -2.25 114.94 112.00 1j89 s ASN 21 Ca 0.55 -0.10 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 1j89 s ASN 21 Cb -0.11 -1.16 -0.02 0.00 0.41 0.00 0.00 41.25 40.38 1j89 s ASN 21 CO 0.51 0.29 -0.04 0.54 -1.51 0.00 0.00 177.10 176.89 1j89 s VAL 22 N -1.00 0.23 -0.13 1.60 0.11 -0.62 -4.69 120.40 115.90 1j89 s VAL 22 Ca 0.17 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1j89 s VAL 22 Cb -0.11 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 1j89 s VAL 22 CO 0.08 -0.39 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.35 1j89 s THR 23 N -1.24 2.25 -0.39 5.04 2.01 -0.96 -0.72 115.64 121.63 1j89 s THR 23 Ca -0.12 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.85 1j89 s THR 23 Cb -0.09 -1.90 0.05 0.00 0.01 0.00 0.00 72.50 70.57 1j89 s THR 23 CO -0.00 0.54 0.22 -0.76 -0.69 0.00 0.00 174.62 173.93 1j89 s LEU 24 N 0.62 4.84 -0.14 4.42 1.43 -0.40 -2.38 118.68 127.07 1j89 s LEU 24 Ca -0.11 -1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 51.69 1j89 s LEU 24 Cb -0.16 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1j89 s LEU 24 CO 0.03 -0.44 0.20 -0.89 0.23 0.00 0.00 176.35 175.47 1j89 s THR 25 N 1.49 5.39 0.23 5.49 2.01 -0.86 -1.08 115.64 128.31 1j89 s THR 25 Ca 0.02 0.34 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 1j89 s THR 25 Cb -0.21 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.72 1j89 s THR 25 CO 0.05 0.52 0.80 0.00 -0.69 0.00 0.00 174.62 175.30 1j89 n ASN 27 N 0.99 0.00 0.00 0.00 5.15 -1.04 -4.78 115.26 115.58 1j89 n ASN 27 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1j89 n ASN 27 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1j89 n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j89 n GLY 28 N 0.00 1.09 0.12 8.20 0.00 -1.26 -4.88 105.19 108.46 1j89 n GLY 28 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 1j89 n GLY 28 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1j89 h ASN 29 N 0.00 -0.17 0.00 1.61 -1.24 -1.99 -3.46 115.58 110.33 1j89 h ASN 29 Ca 0.00 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 56.64 1j89 h ASN 29 Cb 0.00 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.09 1j89 h ASN 29 CO 0.00 0.34 0.00 0.59 -1.29 0.00 0.00 177.43 177.07 1j89 n ASN 30 N -4.94 0.16 -4.29 1.15 5.03 -1.26 -5.09 115.26 106.02 1j89 n ASN 30 Ca -0.08 0.05 -0.34 0.00 0.87 0.00 0.00 54.58 55.08 1j89 n ASN 30 Cb 0.27 -0.03 -0.15 0.00 -1.02 0.00 0.00 39.78 38.85 1j89 n ASN 30 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1j89 s PHE 31 N -1.20 2.85 0.41 3.10 0.40 -1.26 -5.11 117.98 117.17 1j89 s PHE 31 Ca 0.00 -0.96 0.06 0.00 -0.60 0.00 0.00 56.93 55.43 1j89 s PHE 31 Cb 0.00 -1.95 -0.07 0.00 0.51 0.00 0.00 43.02 41.50 1j89 s PHE 31 CO 0.00 -0.46 0.01 0.12 0.70 0.00 0.00 175.22 175.59 1j89 s PHE 32 N 0.95 2.44 -0.00 0.36 5.36 -1.26 -5.07 117.98 120.76 1j89 s PHE 32 Ca -0.02 -0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 55.22 1j89 s PHE 32 Cb -0.15 -1.74 -0.02 0.00 -0.34 0.00 0.00 43.02 40.78 1j89 s PHE 32 CO -0.01 0.41 -0.06 -1.91 -1.46 0.00 0.00 175.22 172.18 1j89 n GLU 33 N -0.97 0.10 -1.56 10.12 4.07 -1.26 -5.08 120.64 126.06 1j89 n GLU 33 Ca -0.06 0.04 -0.38 0.00 -0.06 0.00 0.00 57.16 56.70 1j89 n GLU 33 Cb 0.67 -0.67 0.05 0.00 -0.06 0.00 0.00 31.44 31.43 1j89 n GLU 33 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1j89 n VAL 34 N -3.43 3.15 0.53 6.31 0.31 -1.26 -4.93 118.33 119.01 1j89 n VAL 34 Ca -0.06 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.83 1j89 n VAL 34 Cb 0.35 -0.98 0.02 0.00 -0.91 0.00 0.00 33.84 32.31 1j89 n VAL 34 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1j89 n SER 35 N -0.27 1.63 -4.29 4.52 3.41 -1.26 -4.66 113.62 112.70 1j89 n SER 35 Ca 0.13 -1.31 -0.45 0.00 -0.26 0.00 0.00 58.87 56.97 1j89 n SER 35 Cb 0.47 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 1j89 n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j89 s SER 36 N -1.35 6.57 -0.02 4.04 1.04 -1.26 -4.26 113.70 118.46 1j89 s SER 36 Ca 0.12 -2.78 0.06 0.00 0.48 0.00 0.00 55.95 53.83 1j89 s SER 36 Cb 0.10 -2.16 -0.01 0.00 0.10 0.00 0.00 66.02 64.05 1j89 s SER 36 CO 0.25 -0.52 -0.20 -0.89 0.98 0.00 0.00 173.24 172.85 1j89 s THR 37 N 0.03 1.60 -0.03 2.02 2.01 -0.77 -4.38 115.64 116.14 1j89 s THR 37 Ca 0.19 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1j89 s THR 37 Cb -0.11 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 1j89 s THR 37 CO -0.08 0.45 0.00 -0.54 -0.69 0.00 0.00 174.62 173.76 1j89 s LYS 38 N -0.40 2.84 -0.03 4.92 1.02 -0.80 -4.37 119.74 122.91 1j89 s LYS 38 Ca 0.06 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 55.53 1j89 s LYS 38 Cb -0.09 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1j89 s LYS 38 CO -0.00 0.65 -0.12 -1.58 -0.92 0.00 0.00 175.35 173.37 1j89 s TRP 39 N -1.03 1.29 -0.57 3.18 0.23 -1.24 -2.97 118.94 117.84 1j89 s TRP 39 Ca 0.18 -0.35 0.06 0.00 -2.03 0.00 0.00 56.10 53.95 1j89 s TRP 39 Cb -0.11 -0.89 0.22 0.00 0.03 0.00 0.00 33.47 32.71 1j89 s TRP 39 CO 0.08 -0.13 0.57 1.19 0.96 0.00 0.00 176.95 179.61 1j89 n PHE 40 N 3.26 1.91 -1.72 -1.98 3.01 -0.58 -0.46 117.46 120.90 1j89 n PHE 40 Ca -0.18 -3.93 -0.40 0.00 1.01 0.00 0.00 57.45 53.95 1j89 n PHE 40 Cb 0.54 -0.40 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1j89 n PHE 40 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1j89 s HIS 41 N -1.52 1.31 -0.98 1.38 2.46 -1.03 -1.08 115.29 115.84 1j89 s HIS 41 Ca 0.34 0.97 0.00 0.00 0.47 0.00 0.00 55.06 56.84 1j89 s HIS 41 Cb 0.09 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.68 1j89 s HIS 41 CO -0.11 -3.06 0.00 0.09 -2.47 0.00 0.00 174.74 169.20 1j89 n ASN 42 N 13.18 -3.99 0.00 9.88 4.13 0.84 -2.96 115.26 136.34 1j89 n ASN 42 Ca 0.30 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.75 1j89 n ASN 42 Cb 0.50 -2.49 0.00 0.00 -1.54 0.00 0.00 39.78 36.25 1j89 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j89 n GLY 43 N -1.68 2.77 3.68 7.41 0.00 -0.24 -5.02 105.19 112.12 1j89 n GLY 43 Ca -0.10 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1j89 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j89 s SER 44 N 0.00 6.45 0.64 1.61 0.01 -1.15 -4.77 113.70 116.48 1j89 s SER 44 Ca 0.00 2.71 -0.17 0.00 1.31 0.00 0.00 55.95 59.80 1j89 s SER 44 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 1j89 s SER 44 CO 0.00 -1.00 0.76 -0.11 0.41 0.00 0.00 173.24 173.29 1j89 n LEU 45 N 6.09 2.33 -4.86 2.44 7.94 -1.26 -2.45 117.00 127.24 1j89 n LEU 45 Ca 0.18 0.71 -0.21 0.00 -1.11 0.00 0.00 56.01 55.58 1j89 n LEU 45 Cb 0.39 -1.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.00 1j89 n LEU 45 CO 0.66 -2.47 -0.02 -0.55 -1.11 0.00 0.00 177.39 173.89 1j89 s SER 46 N -1.35 4.97 0.08 1.96 0.15 0.39 -4.81 113.70 115.09 1j89 s SER 46 Ca 0.72 -0.79 0.25 0.00 0.70 0.00 0.00 55.95 56.83 1j89 s SER 46 Cb -0.40 -0.56 0.43 0.00 -1.71 0.00 0.00 66.02 63.78 1j89 s SER 46 CO 0.51 -0.64 1.37 -0.62 1.20 0.00 0.00 173.24 175.07 1j89 n GLU 47 N -1.51 0.21 -2.51 5.44 1.02 -1.26 -4.79 120.64 117.24 1j89 n GLU 47 Ca 0.03 0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.93 1j89 n GLU 47 Cb 0.62 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1j89 n GLU 47 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1j89 s GLU 48 N -3.12 3.72 0.00 3.49 2.56 -1.26 -4.98 118.70 119.11 1j89 s GLU 48 Ca 0.08 0.55 0.00 0.00 0.00 0.00 0.00 54.97 55.60 1j89 s GLU 48 Cb 0.15 -2.28 0.00 0.00 2.00 0.00 0.00 34.13 34.00 1j89 s GLU 48 CO 0.71 -0.23 0.00 0.25 -0.56 0.00 0.00 175.26 175.43 1j89 n THR 49 N -1.88 0.00 -1.31 -1.70 -2.24 -1.26 -4.63 114.28 101.25 1j89 n THR 49 Ca 0.03 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.46 1j89 n THR 49 Cb 0.54 -0.43 0.09 0.00 -2.10 0.00 0.00 70.33 68.43 1j89 n THR 49 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j89 n ASN 50 N -1.24 0.44 0.21 3.42 2.85 -1.26 -1.84 115.26 117.85 1j89 n ASN 50 Ca 0.00 0.65 0.15 0.00 -0.11 0.00 0.00 54.58 55.27 1j89 n ASN 50 Cb 0.23 -1.41 0.63 0.00 1.24 0.00 0.00 39.78 40.48 1j89 n ASN 50 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1j89 h SER 51 N -0.37 0.00 -3.52 1.20 4.64 -1.88 -3.40 113.55 110.21 1j89 h SER 51 Ca -0.47 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.14 1j89 h SER 51 Cb 1.33 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.13 1j89 h SER 51 CO 0.46 0.00 -0.52 -0.44 -0.87 0.00 0.00 176.83 175.46 1j89 s SER 52 N -4.92 5.50 -0.51 4.97 0.01 -1.26 -1.67 113.70 115.81 1j89 s SER 52 Ca 0.02 -1.45 -0.19 0.00 1.31 0.00 0.00 55.95 55.64 1j89 s SER 52 Cb 0.09 -1.93 0.07 0.00 0.21 0.00 0.00 66.02 64.45 1j89 s SER 52 CO 0.45 -0.47 0.60 -0.22 0.41 0.00 0.00 173.24 174.00 1j89 s LEU 53 N 1.39 5.12 0.57 2.44 2.96 -0.24 -4.93 118.68 125.99 1j89 s LEU 53 Ca 0.02 -1.03 -0.11 0.00 -0.22 0.00 0.00 54.13 52.79 1j89 s LEU 53 Cb -0.22 -2.39 -0.05 0.00 0.50 0.00 0.00 46.19 44.03 1j89 s LEU 53 CO 0.02 -0.88 0.97 0.20 -1.32 0.00 0.00 176.35 175.34 1j89 s ASN 54 N 2.78 6.32 -0.11 3.68 0.01 -1.26 -1.27 114.94 125.08 1j89 s ASN 54 Ca 0.13 1.36 -0.02 0.00 -0.71 0.00 0.00 52.86 53.62 1j89 s ASN 54 Cb -0.21 -2.44 0.04 0.00 0.41 0.00 0.00 41.25 39.06 1j89 s ASN 54 CO 0.10 -0.75 0.02 -0.63 -1.51 0.00 0.00 177.10 174.33 1j89 s ILE 55 N -2.98 0.39 0.00 0.60 1.01 0.10 -4.94 121.20 115.38 1j89 s ILE 55 Ca 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1j89 s ILE 55 Cb -0.11 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.68 1j89 s ILE 55 CO 0.48 0.08 0.00 0.52 0.00 0.00 0.00 174.94 176.02 1j89 n VAL 56 N 5.13 0.00 0.00 2.92 0.31 -1.26 -1.59 118.33 123.83 1j89 n VAL 56 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1j89 n VAL 56 Cb 0.49 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 1j89 n VAL 56 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j89 n ASN 57 N -0.96 0.00 -4.49 4.52 3.02 -1.25 -4.57 115.26 111.52 1j89 n ASN 57 Ca 0.00 0.00 -0.48 0.00 -0.03 0.00 0.00 54.58 54.07 1j89 n ASN 57 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1j89 n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j89 n ALA 58 N 0.00 1.28 -2.79 5.41 0.00 -0.95 -4.59 120.51 118.87 1j89 n ALA 58 Ca 0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 1j89 n ALA 58 Cb 0.00 -2.68 -0.08 0.00 0.00 0.00 0.00 19.45 16.69 1j89 n ALA 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1j89 s LYS 59 N 6.39 3.38 0.50 0.00 1.02 -1.26 -0.31 119.74 129.46 1j89 s LYS 59 Ca 1.07 -0.29 0.45 0.00 0.02 0.00 0.00 55.97 57.22 1j89 s LYS 59 Cb -0.68 -3.04 1.58 0.00 -0.52 0.00 0.00 37.83 35.17 1j89 s LYS 59 CO 0.44 0.64 1.45 1.19 -0.92 0.00 0.00 175.35 178.14 1j89 n PHE 60 N 2.38 0.09 0.24 3.18 0.99 -1.26 0.16 117.46 123.23 1j89 n PHE 60 Ca -0.19 0.09 0.10 0.00 -0.00 0.00 0.00 57.45 57.45 1j89 n PHE 60 Cb 0.54 -0.54 0.59 0.00 -1.00 0.00 0.00 39.48 39.06 1j89 n PHE 60 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1j89 h GLU 61 N 0.00 0.00 0.00 -1.08 3.07 -2.00 -2.13 114.58 112.44 1j89 h GLU 61 Ca 0.87 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.72 1j89 h GLU 61 Cb 3.40 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 31.31 1j89 h GLU 61 CO -0.07 0.20 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.27 1j89 h ASP 62 N 0.00 0.00 -2.70 1.42 3.32 0.11 -3.43 116.42 115.14 1j89 h ASP 62 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1j89 h ASP 62 Cb 0.50 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.08 1j89 h ASP 62 CO 0.03 0.03 0.99 -0.44 -1.72 0.00 0.00 179.24 178.12 1j89 s SER 63 N -5.70 6.60 0.00 6.45 0.01 -0.80 -4.85 113.70 115.40 1j89 s SER 63 Ca 0.00 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.76 1j89 s SER 63 Cb 0.10 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1j89 s SER 63 CO 0.54 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1j89 n GLY 64 N 3.97 -0.90 3.50 3.44 0.00 0.12 -4.93 105.19 110.39 1j89 n GLY 64 Ca 0.16 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1j89 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j89 s GLU 65 N -1.05 3.75 0.42 1.61 2.12 -1.26 0.86 118.70 125.15 1j89 s GLU 65 Ca 0.00 -0.43 0.07 0.00 0.36 0.00 0.00 54.97 54.97 1j89 s GLU 65 Cb 0.00 -3.38 -0.06 0.00 0.26 0.00 0.00 34.13 30.95 1j89 s GLU 65 CO 0.00 -0.14 0.10 0.71 -0.54 0.00 0.00 175.26 175.39 1j89 s TYR 66 N 1.52 2.50 -0.22 5.30 1.51 -0.04 -0.11 117.35 127.81 1j89 s TYR 66 Ca 0.06 -0.65 -0.31 0.00 -1.01 0.00 0.00 57.07 55.15 1j89 s TYR 66 Cb -0.15 -1.86 0.16 0.00 -0.11 0.00 0.00 41.96 40.00 1j89 s TYR 66 CO 0.05 0.30 1.21 -1.59 -1.11 0.00 0.00 175.55 174.41 1j89 s LYS 67 N -3.82 0.29 0.07 -0.62 -2.85 -1.26 -1.70 119.74 109.84 1j89 s LYS 67 Ca 0.36 0.00 0.05 0.00 -1.00 0.00 0.00 55.97 55.38 1j89 s LYS 67 Cb 0.07 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1j89 s LYS 67 CO 0.19 -0.10 -0.13 0.00 0.10 0.00 0.00 175.35 175.41 1j89 s GLN 69 N -1.81 0.55 0.00 0.00 0.74 -1.16 -0.79 119.66 117.20 1j89 s GLN 69 Ca -0.02 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.18 1j89 s GLN 69 Cb -0.09 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1j89 s GLN 69 CO 0.02 -0.14 0.00 0.72 -0.55 0.00 0.00 175.29 175.34 1j89 n HIS 70 N 1.56 -2.88 -0.03 1.67 8.25 -1.26 -1.91 115.22 120.62 1j89 n HIS 70 Ca -0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.16 1j89 n HIS 70 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 1j89 n HIS 70 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1j89 h GLN 71 N 0.00 0.01 -1.76 -0.41 5.75 -2.02 -3.29 115.11 113.40 1j89 h GLN 71 Ca 0.00 -0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 57.99 1j89 h GLN 71 Cb 0.00 -0.00 -0.41 0.00 1.07 0.00 0.00 27.48 28.14 1j89 h GLN 71 CO 0.00 0.01 -0.94 0.94 -2.65 0.00 0.00 178.83 176.18 1j89 n GLN 72 N -5.18 2.17 -3.92 1.69 7.27 -1.26 -5.06 117.38 113.09 1j89 n GLN 72 Ca -0.03 -4.01 -0.11 0.00 0.07 0.00 0.00 57.00 52.93 1j89 n GLN 72 Cb 0.12 -1.87 -0.12 0.00 2.41 0.00 0.00 30.24 30.77 1j89 n GLN 72 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1j89 s VAL 73 N -3.81 0.06 -0.01 1.69 1.01 -1.24 -5.02 120.40 113.07 1j89 s VAL 73 Ca 0.41 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1j89 s VAL 73 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.54 1j89 s VAL 73 CO -0.09 -0.26 1.06 0.20 0.00 0.00 0.00 175.10 176.00 1j89 s ASN 74 N -0.77 7.25 0.19 3.32 0.01 -1.26 -4.07 114.94 119.61 1j89 s ASN 74 Ca -0.08 1.73 -0.28 0.00 -0.71 0.00 0.00 52.86 53.52 1j89 s ASN 74 Cb -0.05 -2.57 -0.17 0.00 0.41 0.00 0.00 41.25 38.87 1j89 s ASN 74 CO -0.00 -0.38 0.52 -1.84 -1.51 0.00 0.00 177.10 173.89 1j89 n GLU 75 N 4.26 0.00 -1.09 -0.60 0.28 -1.26 -4.35 120.64 117.87 1j89 n GLU 75 Ca 0.08 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.77 1j89 n GLU 75 Cb 0.49 -1.00 0.11 0.00 1.43 0.00 0.00 31.44 32.48 1j89 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1j89 s SER 76 N -0.97 4.02 -0.17 -1.84 1.04 0.03 -4.87 113.70 110.94 1j89 s SER 76 Ca 0.64 1.93 -0.29 0.00 0.48 0.00 0.00 55.95 58.71 1j89 s SER 76 Cb -0.92 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 62.62 1j89 s SER 76 CO 0.55 -2.36 1.80 -1.61 0.98 0.00 0.00 173.24 172.60 1j89 s GLU 77 N -4.83 3.73 0.86 4.02 0.41 -1.26 -4.66 118.70 116.96 1j89 s GLU 77 Ca 0.63 1.91 -0.17 0.00 -0.41 0.00 0.00 54.97 56.93 1j89 s GLU 77 Cb -0.19 -4.13 -0.12 0.00 -1.78 0.00 0.00 34.13 27.92 1j89 s GLU 77 CO 0.57 -1.39 -0.41 -2.30 -0.49 0.00 0.00 175.26 171.24 1j89 n PRO 78 N 7.85 -0.00 -4.26 0.39 -0.02 -1.26 -4.75 135.00 132.95 1j89 n PRO 78 Ca 0.21 0.01 -0.17 0.00 -2.02 0.00 0.00 63.50 61.53 1j89 n PRO 78 Cb 0.44 -1.16 -0.14 0.00 -0.02 0.00 0.00 33.50 32.62 1j89 n PRO 78 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j89 s VAL 79 N -2.03 0.57 -0.13 -1.45 1.01 -0.69 -4.92 120.40 112.75 1j89 s VAL 79 Ca 0.48 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1j89 s VAL 79 Cb -0.27 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1j89 s VAL 79 CO 0.75 0.14 0.08 -0.47 0.00 0.00 0.00 175.10 175.61 1j89 s TYR 80 N -0.21 3.38 -0.12 5.22 5.04 -1.26 -0.86 117.35 128.54 1j89 s TYR 80 Ca 0.02 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 1j89 s TYR 80 Cb -0.03 -1.96 -0.01 0.00 0.35 0.00 0.00 41.96 40.32 1j89 s TYR 80 CO -0.00 0.48 -0.18 -1.17 -1.34 0.00 0.00 175.55 173.34 1j89 s LEU 81 N -0.51 2.42 -0.05 6.97 2.96 0.25 -4.91 118.68 125.81 1j89 s LEU 81 Ca 0.11 -0.44 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1j89 s LEU 81 Cb -0.12 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1j89 s LEU 81 CO 0.02 0.16 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.27 1j89 s GLU 82 N 0.38 2.44 -0.02 1.98 2.12 -1.14 0.16 118.70 124.62 1j89 s GLU 82 Ca -0.14 -0.88 0.04 0.00 0.36 0.00 0.00 54.97 54.35 1j89 s GLU 82 Cb -0.17 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 1j89 s GLU 82 CO 0.07 0.46 -0.13 0.08 -0.54 0.00 0.00 175.26 175.19 1j89 s VAL 83 N -0.35 3.15 0.14 3.70 1.01 -1.25 -0.41 120.40 126.40 1j89 s VAL 83 Ca 0.02 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1j89 s VAL 83 Cb -0.12 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1j89 s VAL 83 CO 0.02 0.51 -0.10 -0.36 0.00 0.00 0.00 175.10 175.17 1j89 s PHE 84 N -0.82 1.22 -0.15 5.22 0.40 0.28 -4.93 117.98 119.19 1j89 s PHE 84 Ca 0.13 -0.78 -0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1j89 s PHE 84 Cb -0.11 -0.63 0.04 0.00 0.51 0.00 0.00 43.02 42.84 1j89 s PHE 84 CO 0.03 0.05 -0.02 0.45 0.70 0.00 0.00 175.22 176.42 1j89 s SER 85 N -3.15 2.59 -0.10 1.36 0.15 -1.26 -1.11 113.70 112.18 1j89 s SER 85 Ca 0.16 -0.58 -0.33 0.00 0.70 0.00 0.00 55.95 55.90 1j89 s SER 85 Cb 0.03 -0.75 0.14 0.00 -1.71 0.00 0.00 66.02 63.74 1j89 s SER 85 CO -0.00 -0.21 1.40 -0.62 1.20 0.00 0.00 173.24 175.00 1j89 s ASP 86 N 1.75 -0.02 0.00 5.45 -1.08 -1.26 -5.06 116.67 116.46 1j89 s ASP 86 Ca 0.01 -0.03 -0.25 0.00 -0.52 0.00 0.00 52.55 51.76 1j89 s ASP 86 Cb -0.15 0.04 -0.18 0.00 -1.46 0.00 0.00 42.92 41.18 1j89 s ASP 86 CO -0.07 -0.08 1.27 -0.50 0.52 0.00 0.00 175.17 176.30 1j89 h TRP 87 N 2.00 -0.20 -4.38 -5.34 6.55 -1.95 -3.42 115.95 109.22 1j89 h TRP 87 Ca -0.29 -0.00 -0.59 0.00 0.95 0.00 0.00 58.89 58.95 1j89 h TRP 87 Cb 1.19 0.07 -0.30 0.00 -0.86 0.00 0.00 29.16 29.26 1j89 h TRP 87 CO 0.30 0.16 -0.85 -0.51 -1.05 0.00 0.00 178.44 176.49 1j89 s LEU 88 N -9.44 2.03 -0.05 -4.49 1.43 -1.26 -1.04 118.68 105.87 1j89 s LEU 88 Ca -0.15 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1j89 s LEU 88 Cb 0.02 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1j89 s LEU 88 CO 0.60 0.24 -0.14 -0.22 0.23 0.00 0.00 176.35 177.06 1j89 s LEU 89 N -0.45 1.81 -0.39 1.79 2.96 0.74 -4.28 118.68 120.86 1j89 s LEU 89 Ca 0.07 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.48 1j89 s LEU 89 Cb -0.08 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1j89 s LEU 89 CO -0.01 0.10 0.67 -0.22 -1.32 0.00 0.00 176.35 175.57 1j89 s LEU 90 N 0.26 4.30 -0.13 -0.68 2.96 -1.26 -0.65 118.68 123.48 1j89 s LEU 90 Ca -0.07 0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1j89 s LEU 90 Cb -0.12 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 1j89 s LEU 90 CO 0.02 -0.69 0.11 -1.10 -1.32 0.00 0.00 176.35 173.38 1j89 s GLN 91 N 2.84 3.47 0.04 1.98 -0.21 0.53 -4.92 119.66 123.39 1j89 s GLN 91 Ca 0.25 -0.19 0.07 0.00 0.02 0.00 0.00 55.36 55.52 1j89 s GLN 91 Cb -0.14 -3.16 -0.02 0.00 1.00 0.00 0.00 33.01 30.69 1j89 s GLN 91 CO 0.17 0.70 -0.21 0.00 -2.12 0.00 0.00 175.29 173.82 1j89 s ALA 92 N -0.80 1.82 0.06 6.09 0.00 -1.26 0.35 121.76 128.02 1j89 s ALA 92 Ca 0.13 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1j89 s ALA 92 Cb -0.12 -0.37 -0.15 0.00 0.00 0.00 0.00 23.12 22.48 1j89 s ALA 92 CO 0.03 0.42 1.45 0.66 0.00 0.00 0.00 175.76 178.32 1j89 h SER 93 N 4.95 -1.05 -4.46 0.00 4.64 -1.44 -3.38 113.55 112.81 1j89 h SER 93 Ca -0.43 0.07 -0.33 0.00 -0.47 0.00 0.00 61.79 60.63 1j89 h SER 93 Cb 1.15 0.32 -0.19 0.00 -0.31 0.00 0.00 62.40 63.37 1j89 h SER 93 CO 0.44 -0.59 -0.74 0.00 -0.87 0.00 0.00 176.83 175.07 1j89 s ALA 94 N -5.36 1.04 -0.15 5.18 0.00 -1.26 -4.67 121.76 116.53 1j89 s ALA 94 Ca -0.15 -1.08 0.22 0.00 0.00 0.00 0.00 51.96 50.95 1j89 s ALA 94 Cb 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 23.12 23.01 1j89 s ALA 94 CO 0.48 0.01 0.81 0.39 0.00 0.00 0.00 175.76 177.45 1j89 n GLU 95 N 0.86 0.63 -4.69 0.00 1.02 -1.26 -4.87 120.64 112.32 1j89 n GLU 95 Ca -0.18 0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.71 1j89 n GLU 95 Cb 0.56 -1.71 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 1j89 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1j89 s VAL 96 N -3.38 1.26 0.07 2.62 1.01 -1.26 -1.90 120.40 118.81 1j89 s VAL 96 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1j89 s VAL 96 Cb 0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1j89 s VAL 96 CO 0.84 0.38 -0.07 -0.69 0.00 0.00 0.00 175.10 175.55 1j89 s VAL 97 N 0.39 0.60 -0.15 2.92 1.01 0.73 -4.99 120.40 120.92 1j89 s VAL 97 Ca -0.10 -1.46 -0.22 0.00 0.00 0.00 0.00 61.98 60.20 1j89 s VAL 97 Cb -0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1j89 s VAL 97 CO 0.03 -0.60 0.67 -0.04 0.00 0.00 0.00 175.10 175.16 1j89 s MET 98 N -2.58 4.30 -0.17 2.72 -1.94 -1.26 0.76 119.30 121.13 1j89 s MET 98 Ca -0.00 0.74 -0.41 0.00 -1.71 0.00 0.00 55.69 54.31 1j89 s MET 98 Cb -0.03 -3.53 -0.19 0.00 2.01 0.00 0.00 34.83 33.08 1j89 s MET 98 CO -0.02 -0.14 1.22 -1.91 -0.01 0.00 0.00 175.02 174.16 1j89 n GLU 99 N 4.62 0.00 0.00 2.03 2.13 0.84 -1.19 120.64 129.08 1j89 n GLU 99 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1j89 n GLU 99 Cb 0.50 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.76 1j89 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j89 n GLY 100 N 2.33 3.15 3.77 8.31 0.00 0.18 -4.91 105.19 118.03 1j89 n GLY 100 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1j89 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j89 s GLN 101 N -0.71 0.33 0.33 1.61 -1.52 -0.33 -3.47 119.66 115.90 1j89 s GLN 101 Ca 0.00 -0.01 -0.11 0.00 -1.95 0.00 0.00 55.36 53.29 1j89 s GLN 101 Cb 0.00 -1.77 -0.07 0.00 -0.22 0.00 0.00 33.01 30.95 1j89 s GLN 101 CO 0.00 -2.68 0.68 -1.25 -0.25 0.00 0.00 175.29 171.79 1j89 s PRO 102 N -5.49 3.82 -0.04 2.91 0.04 -0.93 -1.30 135.00 134.01 1j89 s PRO 102 Ca 0.69 0.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 1j89 s PRO 102 Cb -0.10 -2.50 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1j89 s PRO 102 CO 0.54 0.13 0.04 -1.17 0.04 0.00 0.00 177.00 176.58 1j89 s LEU 103 N -3.35 0.55 -0.10 -3.56 2.96 0.45 -4.91 118.68 110.72 1j89 s LEU 103 Ca 0.50 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1j89 s LEU 103 Cb -0.11 -0.15 0.01 0.00 0.50 0.00 0.00 46.19 46.45 1j89 s LEU 103 CO 0.25 -0.20 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.58 1j89 s PHE 104 N 1.72 1.89 0.12 5.38 0.40 -1.26 0.86 117.98 127.09 1j89 s PHE 104 Ca -0.01 -0.86 0.08 0.00 -0.60 0.00 0.00 56.93 55.55 1j89 s PHE 104 Cb -0.12 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1j89 s PHE 104 CO -0.03 -0.44 -0.12 -0.51 0.70 0.00 0.00 175.22 174.82 1j89 s LEU 105 N 0.94 2.94 -0.07 -0.37 1.43 -0.64 -1.09 118.68 121.83 1j89 s LEU 105 Ca -0.08 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 1j89 s LEU 105 Cb -0.15 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.38 1j89 s LEU 105 CO -0.01 0.16 0.14 -0.60 0.23 0.00 0.00 176.35 176.28 1j89 s ARG 106 N -2.31 0.07 -0.63 1.70 3.52 0.16 -3.10 118.95 118.36 1j89 s ARG 106 Ca 0.21 0.39 -0.23 0.00 -0.13 0.00 0.00 55.73 55.97 1j89 s ARG 106 Cb -0.11 -0.21 0.06 0.00 -1.56 0.00 0.00 34.95 33.14 1j89 s ARG 106 CO 0.13 -0.19 0.97 0.00 -0.81 0.00 0.00 175.30 175.40 1j89 s HIS 108 N 4.10 3.35 0.68 0.00 2.46 0.18 -4.96 115.29 121.10 1j89 s HIS 108 Ca 0.25 0.53 -0.08 0.00 0.47 0.00 0.00 55.06 56.23 1j89 s HIS 108 Cb -0.15 -2.49 0.03 0.00 -0.13 0.00 0.00 32.58 29.85 1j89 s HIS 108 CO 0.13 -0.02 1.02 0.20 -2.47 0.00 0.00 174.74 173.60 1j89 s GLY 109 N 1.10 1.63 0.39 1.59 0.00 -1.26 -0.18 107.32 110.59 1j89 s GLY 109 Ca 0.17 -0.66 -0.17 0.00 0.00 0.00 0.00 44.72 44.06 1j89 s GLY 109 CO 0.07 -0.29 0.85 0.86 0.00 0.00 0.00 173.10 174.59 1j89 s TRP 110 N -3.23 3.37 -0.87 1.90 -0.11 -0.20 -3.71 118.94 116.09 1j89 s TRP 110 Ca 0.58 1.36 0.00 0.00 1.22 0.00 0.00 56.10 59.26 1j89 s TRP 110 Cb -0.11 -2.66 0.00 0.00 -1.50 0.00 0.00 33.47 29.20 1j89 s TRP 110 CO 0.47 -0.06 0.00 0.54 -4.62 0.00 0.00 176.95 173.28 1j89 n ARG 111 N -0.73 -2.30 -2.47 5.86 1.74 -1.26 -0.17 116.66 117.32 1j89 n ARG 111 Ca 0.05 0.49 -0.12 0.00 -0.77 0.00 0.00 57.85 57.50 1j89 n ARG 111 Cb 0.54 -5.05 -0.01 0.00 -1.02 0.00 0.00 32.46 26.92 1j89 n ARG 111 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1j89 n ASN 112 N -1.65 -3.86 -2.83 0.55 2.85 -1.24 -4.94 115.26 104.13 1j89 n ASN 112 Ca -0.12 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1j89 n ASN 112 Cb 0.58 -3.28 0.00 0.00 1.24 0.00 0.00 39.78 38.32 1j89 n ASN 112 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1j89 n TRP 113 N -3.40 -2.33 -4.56 1.20 8.01 0.76 -5.01 117.44 112.11 1j89 n TRP 113 Ca -0.14 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.72 1j89 n TRP 113 Cb 0.61 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.78 1j89 n TRP 113 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1j89 s ASP 114 N -1.67 4.53 -0.01 -0.99 1.01 -1.26 -4.76 116.67 113.53 1j89 s ASP 114 Ca 0.00 -0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.13 1j89 s ASP 114 Cb 0.00 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.30 1j89 s ASP 114 CO 0.00 0.21 -0.10 -0.69 0.21 0.00 0.00 175.17 174.80 1j89 s VAL 115 N 0.10 3.43 0.35 -1.27 1.01 -1.26 -4.45 120.40 118.31 1j89 s VAL 115 Ca -0.03 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1j89 s VAL 115 Cb -0.14 -2.45 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 1j89 s VAL 115 CO 0.03 0.44 0.03 -0.31 0.00 0.00 0.00 175.10 175.30 1j89 s TYR 116 N -0.92 2.17 -1.36 5.22 1.51 -0.62 -2.87 117.35 120.49 1j89 s TYR 116 Ca 0.15 -0.83 -0.04 0.00 -1.01 0.00 0.00 57.07 55.35 1j89 s TYR 116 Cb -0.11 -1.45 -0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1j89 s TYR 116 CO 0.05 0.20 0.49 1.63 -1.11 0.00 0.00 175.55 176.81 1j89 n LYS 117 N -0.78 -3.07 -2.89 -0.62 5.02 -0.51 -0.21 118.16 115.10 1j89 n LYS 117 Ca -0.03 0.42 -0.39 0.00 -2.02 0.00 0.00 58.31 56.29 1j89 n LYS 117 Cb 0.66 -4.48 -0.06 0.00 -0.02 0.00 0.00 35.03 31.13 1j89 n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j89 s VAL 118 N -3.86 4.27 -0.08 -0.18 1.01 0.29 -4.32 120.40 117.53 1j89 s VAL 118 Ca 0.08 1.78 -0.03 0.00 0.00 0.00 0.00 61.98 63.81 1j89 s VAL 118 Cb -0.03 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1j89 s VAL 118 CO 0.88 0.39 0.16 -0.63 0.00 0.00 0.00 175.10 175.90 1j89 s ILE 119 N -1.32 -0.10 0.12 2.22 1.01 -0.73 -0.92 121.20 121.49 1j89 s ILE 119 Ca 0.42 0.21 -0.03 0.00 0.00 0.00 0.00 60.65 61.25 1j89 s ILE 119 Cb -0.22 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 1j89 s ILE 119 CO 0.27 0.09 0.32 -0.31 0.00 0.00 0.00 174.94 175.31 1j89 s TYR 120 N 1.44 3.49 -0.04 3.97 1.51 -1.10 -1.22 117.35 125.40 1j89 s TYR 120 Ca -0.07 0.44 0.02 0.00 -1.01 0.00 0.00 57.07 56.46 1j89 s TYR 120 Cb -0.12 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1j89 s TYR 120 CO -0.06 0.48 -0.10 0.71 -1.11 0.00 0.00 175.55 175.47 1j89 s TYR 121 N -1.63 1.08 -0.18 2.71 1.51 0.11 -1.02 117.35 119.94 1j89 s TYR 121 Ca 0.39 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 1j89 s TYR 121 Cb -0.12 -0.78 0.03 0.00 -0.11 0.00 0.00 41.96 40.98 1j89 s TYR 121 CO 0.26 -0.14 -0.12 0.21 -1.11 0.00 0.00 175.55 174.65 1j89 s LYS 122 N 0.32 2.21 -1.28 -0.62 2.20 -0.96 -1.83 119.74 119.78 1j89 s LYS 122 Ca -0.06 -0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1j89 s LYS 122 Cb -0.11 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.88 1j89 s LYS 122 CO 0.01 -0.35 0.98 -0.25 -0.36 0.00 0.00 175.35 175.38 1j89 n ASP 123 N 4.70 -3.04 0.00 1.43 8.00 -0.51 -2.47 116.55 124.67 1j89 n ASP 123 Ca -0.16 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1j89 n ASP 123 Cb 0.48 -4.80 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 1j89 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j89 n GLY 124 N -1.46 1.27 3.87 0.44 0.00 -1.26 -5.00 105.19 103.05 1j89 n GLY 124 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1j89 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j89 s GLU 125 N -0.18 3.65 0.34 1.61 0.41 -1.03 -5.06 118.70 118.44 1j89 s GLU 125 Ca 0.00 0.03 -0.28 0.00 -0.41 0.00 0.00 54.97 54.32 1j89 s GLU 125 Cb 0.00 -3.08 -0.10 0.00 -1.78 0.00 0.00 34.13 29.17 1j89 s GLU 125 CO 0.00 0.64 1.23 0.00 -0.49 0.00 0.00 175.26 176.64 1j89 s ALA 126 N -1.28 3.39 0.10 5.21 0.00 -1.26 -2.26 121.76 125.65 1j89 s ALA 126 Ca 0.28 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1j89 s ALA 126 Cb -0.14 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1j89 s ALA 126 CO 0.15 -0.52 0.00 -0.11 0.00 0.00 0.00 175.76 175.28 1j89 n LEU 127 N 0.69 1.06 -4.30 0.00 7.94 -0.19 -4.86 117.00 117.35 1j89 n LEU 127 Ca 0.01 0.14 -0.16 0.00 -1.11 0.00 0.00 56.01 54.89 1j89 n LEU 127 Cb 0.44 -0.32 -0.10 0.00 0.53 0.00 0.00 43.42 43.97 1j89 n LEU 127 CO 0.56 -0.73 -0.34 -0.54 -1.11 0.00 0.00 177.39 175.23 1j89 s LYS 128 N -2.00 1.26 -0.19 1.96 -0.14 -1.24 -4.97 119.74 114.42 1j89 s LYS 128 Ca 0.00 -1.62 -0.17 0.00 -1.36 0.00 0.00 55.97 52.82 1j89 s LYS 128 Cb 0.00 -0.54 0.05 0.00 -1.68 0.00 0.00 37.83 35.66 1j89 s LYS 128 CO 0.00 -0.09 0.51 -0.47 -0.76 0.00 0.00 175.35 174.54 1j89 s TYR 129 N -3.46 -0.59 0.23 3.18 5.04 -1.26 -2.71 117.35 117.79 1j89 s TYR 129 Ca 0.26 1.40 -0.09 0.00 -2.44 0.00 0.00 57.07 56.20 1j89 s TYR 129 Cb 0.05 0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.57 1j89 s TYR 129 CO 0.07 -0.29 0.38 -1.58 -1.34 0.00 0.00 175.55 172.79 1j89 s TRP 130 N 0.42 0.59 0.00 4.97 0.52 -0.10 -5.00 118.94 120.34 1j89 s TRP 130 Ca -0.01 -0.91 0.00 0.00 0.02 0.00 0.00 56.10 55.20 1j89 s TRP 130 Cb -0.04 -0.02 0.00 0.00 -1.15 0.00 0.00 33.47 32.25 1j89 s TRP 130 CO -0.01 -0.89 0.00 0.98 0.02 0.00 0.00 176.95 177.05 1j89 n TYR 131 N -0.35 0.00 -1.98 -1.98 9.36 -1.26 -0.55 117.16 120.40 1j89 n TYR 131 Ca -0.01 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.79 1j89 n TYR 131 Cb 0.63 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.31 1j89 n TYR 131 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1j89 s GLU 132 N 0.00 4.22 1.37 2.98 0.41 -1.26 -1.43 118.70 124.99 1j89 s GLU 132 Ca 0.00 2.28 -0.21 0.00 -0.41 0.00 0.00 54.97 56.64 1j89 s GLU 132 Cb 0.00 -3.46 0.35 0.00 -1.78 0.00 0.00 34.13 29.24 1j89 s GLU 132 CO 0.00 -0.66 0.96 0.54 -0.49 0.00 0.00 175.26 175.60 1j89 s ASN 133 N 1.93 -0.61 0.00 -0.19 4.22 -1.14 -4.96 114.94 114.19 1j89 s ASN 133 Ca 0.71 0.96 0.00 0.00 -2.14 0.00 0.00 52.86 52.39 1j89 s ASN 133 Cb -0.40 -1.40 0.00 0.00 1.28 0.00 0.00 41.25 40.73 1j89 s ASN 133 CO 0.31 -5.10 0.00 1.57 -2.04 0.00 0.00 177.10 171.84 1j89 n HIS 134 N -5.47 0.00 -3.58 1.54 -0.00 -1.26 -5.08 115.22 101.36 1j89 n HIS 134 Ca 0.11 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 58.01 1j89 n HIS 134 Cb 0.59 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.35 1j89 n HIS 134 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1j89 s ASN 135 N -0.24 2.84 -0.59 0.26 0.01 -1.26 -4.49 114.94 111.46 1j89 s ASN 135 Ca 0.00 -3.06 -0.39 0.00 -0.71 0.00 0.00 52.86 48.70 1j89 s ASN 135 Cb 0.00 -0.83 -0.18 0.00 0.41 0.00 0.00 41.25 40.65 1j89 s ASN 135 CO 0.00 -0.19 2.28 0.00 -1.51 0.00 0.00 177.10 177.69 1j89 n ILE 136 N 2.93 0.03 -4.12 0.60 3.06 -1.18 -4.72 119.36 115.96 1j89 n ILE 136 Ca 0.21 -0.07 -0.28 0.00 -2.50 0.00 0.00 62.75 60.11 1j89 n ILE 136 Cb 0.41 -0.77 -0.07 0.00 0.54 0.00 0.00 39.64 39.75 1j89 n ILE 136 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1j89 s SER 137 N 7.10 5.21 -0.06 9.51 0.15 -1.26 -1.62 113.70 132.73 1j89 s SER 137 Ca 1.21 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 57.65 1j89 s SER 137 Cb -1.29 -1.28 0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1j89 s SER 137 CO 0.58 0.12 0.10 -0.63 1.20 0.00 0.00 173.24 174.60 1j89 s ILE 138 N -1.57 -0.16 0.00 6.45 1.01 0.25 -4.99 121.20 122.19 1j89 s ILE 138 Ca 0.28 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1j89 s ILE 138 Cb -0.11 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1j89 s ILE 138 CO 0.21 0.16 0.03 0.35 0.00 0.00 0.00 174.94 175.69 1j89 n THR 139 N 5.31 0.00 -2.77 2.92 -2.24 -1.26 0.17 114.28 116.41 1j89 n THR 139 Ca -0.04 0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 1j89 n THR 139 Cb 0.50 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1j89 n THR 139 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j89 s ASN 140 N -1.18 6.84 -0.19 3.42 3.84 -1.26 -2.18 114.94 124.24 1j89 s ASN 140 Ca 0.00 0.93 -0.13 0.00 0.21 0.00 0.00 52.86 53.88 1j89 s ASN 140 Cb 0.00 -2.49 -0.05 0.00 -0.55 0.00 0.00 41.25 38.17 1j89 s ASN 140 CO 0.00 -0.74 0.25 0.00 -2.79 0.00 0.00 177.10 173.81 1j89 s ALA 141 N 3.31 3.61 0.31 1.71 0.00 -0.42 -4.88 121.76 125.40 1j89 s ALA 141 Ca 0.40 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1j89 s ALA 141 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 1j89 s ALA 141 CO 0.13 0.03 0.52 0.99 0.00 0.00 0.00 175.76 177.43 1j89 s THR 142 N 0.61 5.10 0.10 0.00 2.01 -1.26 0.52 115.64 122.72 1j89 s THR 142 Ca 0.13 -0.34 0.22 0.00 0.31 0.00 0.00 61.69 62.02 1j89 s THR 142 Cb -0.13 -3.82 0.21 0.00 0.01 0.00 0.00 72.50 68.77 1j89 s THR 142 CO 0.03 -0.45 1.77 1.62 -0.69 0.00 0.00 174.62 176.90 1j89 h VAL 143 N 1.00 0.62 0.00 3.82 3.04 -1.95 -2.32 116.25 120.46 1j89 h VAL 143 Ca -0.49 -1.27 0.00 0.00 -1.01 0.00 0.00 66.70 63.93 1j89 h VAL 143 Cb 1.21 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.34 1j89 h VAL 143 CO 0.63 0.26 0.00 -0.62 -1.01 0.00 0.00 177.57 176.83 1j89 n GLU 144 N -3.39 0.07 0.13 4.17 4.71 -1.26 -2.11 120.64 122.96 1j89 n GLU 144 Ca 0.00 0.30 0.13 0.00 -0.01 0.00 0.00 57.16 57.57 1j89 n GLU 144 Cb 0.47 -1.63 0.48 0.00 -1.01 0.00 0.00 31.44 29.74 1j89 n GLU 144 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1j89 h ASP 145 N 0.00 0.00 -2.86 1.62 3.32 -1.81 -3.44 116.42 113.24 1j89 h ASP 145 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1j89 h ASP 145 Cb 0.31 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.88 1j89 h ASP 145 CO 0.00 0.00 0.85 -0.44 -1.72 0.00 0.00 179.24 177.93 1j89 s SER 146 N -4.44 6.71 0.00 6.45 0.01 -0.90 -4.92 113.70 116.61 1j89 s SER 146 Ca 0.06 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.72 1j89 s SER 146 Cb 0.10 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1j89 s SER 146 CO 0.46 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1j89 n GLY 147 N 3.71 -0.56 3.10 3.44 0.00 -0.37 -4.98 105.19 109.54 1j89 n GLY 147 Ca 0.13 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1j89 n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j89 s THR 148 N -3.01 2.41 0.33 2.61 -4.23 -1.26 -0.09 115.64 112.40 1j89 s THR 148 Ca 0.00 -1.54 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 1j89 s THR 148 Cb 0.00 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1j89 s THR 148 CO 0.00 -0.04 0.43 -0.31 -0.54 0.00 0.00 174.62 174.17 1j89 s TYR 149 N 1.15 3.12 -0.11 3.99 1.51 0.13 -1.42 117.35 125.73 1j89 s TYR 149 Ca -0.08 -0.21 -0.31 0.00 -1.01 0.00 0.00 57.07 55.47 1j89 s TYR 149 Cb -0.20 -1.93 0.12 0.00 -0.11 0.00 0.00 41.96 39.85 1j89 s TYR 149 CO -0.04 0.06 1.01 1.52 -1.11 0.00 0.00 175.55 176.99 1j89 s TYR 150 N -2.17 -0.30 0.15 2.71 -0.85 -0.76 0.13 117.35 116.26 1j89 s TYR 150 Ca 0.43 0.32 0.06 0.00 -0.52 0.00 0.00 57.07 57.37 1j89 s TYR 150 Cb -0.09 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1j89 s TYR 150 CO 0.30 -0.39 -0.13 0.00 -1.52 0.00 0.00 175.55 173.82 1j89 s THR 152 N -2.85 1.12 0.12 0.00 -4.23 -0.36 -1.51 115.64 107.93 1j89 s THR 152 Ca 0.16 -1.02 -0.26 0.00 -1.18 0.00 0.00 61.69 59.39 1j89 s THR 152 Cb -0.01 -1.02 0.08 0.00 1.34 0.00 0.00 72.50 72.89 1j89 s THR 152 CO 0.03 -0.01 1.05 -0.83 -0.54 0.00 0.00 174.62 174.32 1j89 s GLY 153 N -1.18 -0.23 -0.27 3.99 0.00 -0.89 -1.77 107.32 106.98 1j89 s GLY 153 Ca 0.01 0.19 -0.07 0.00 0.00 0.00 0.00 44.72 44.85 1j89 s GLY 153 CO 0.01 0.40 0.08 1.25 0.00 0.00 0.00 173.10 174.84 1j89 s LYS 154 N -2.94 3.39 -0.20 2.90 2.20 0.71 -0.77 119.74 125.03 1j89 s LYS 154 Ca 0.14 -0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 55.03 1j89 s LYS 154 Cb -0.00 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1j89 s LYS 154 CO 0.01 -0.32 0.04 0.08 -0.36 0.00 0.00 175.35 174.81 1j89 s VAL 155 N 1.57 4.42 0.00 4.02 1.01 -0.07 -1.58 120.40 129.76 1j89 s VAL 155 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1j89 s VAL 155 Cb -0.16 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1j89 s VAL 155 CO 0.03 0.43 0.00 0.79 0.00 0.00 0.00 175.10 176.35 1j89 n TRP 156 N 4.00 0.00 -2.10 5.22 7.02 -1.26 -1.27 117.44 129.05 1j89 n TRP 156 Ca -0.17 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.32 1j89 n TRP 156 Cb 0.52 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.41 1j89 n TRP 156 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1j89 n GLN 157 N 0.00 0.00 -4.19 -0.99 1.13 -1.26 -5.07 117.38 107.00 1j89 n GLN 157 Ca 0.00 -1.19 -0.18 0.00 -1.94 0.00 0.00 57.00 53.69 1j89 n GLN 157 Cb 0.00 -0.39 -0.12 0.00 0.11 0.00 0.00 30.24 29.84 1j89 n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1j89 s LEU 158 N 0.00 2.33 0.23 1.08 1.43 -0.39 -5.13 118.68 118.22 1j89 s LEU 158 Ca 0.07 -0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 52.32 1j89 s LEU 158 Cb 0.08 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.72 1j89 s LEU 158 CO -0.03 -0.11 0.65 -1.81 0.23 0.00 0.00 176.35 175.27 1j89 s ASP 159 N -2.02 6.86 -0.03 2.29 1.01 -1.26 -0.89 116.67 122.64 1j89 s ASP 159 Ca 0.02 1.22 -0.07 0.00 0.71 0.00 0.00 52.55 54.43 1j89 s ASP 159 Cb -0.08 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.52 1j89 s ASP 159 CO 0.02 -0.02 0.16 -0.31 0.21 0.00 0.00 175.17 175.23 1j89 s TYR 160 N -1.66 -0.07 -0.01 4.23 1.51 0.05 -4.95 117.35 116.45 1j89 s TYR 160 Ca 0.45 0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.67 1j89 s TYR 160 Cb -0.14 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 1j89 s TYR 160 CO 0.20 -0.20 -0.01 -2.00 -1.11 0.00 0.00 175.55 172.43 1j89 s GLU 161 N -0.70 2.78 0.34 -0.62 2.12 -1.26 -2.09 118.70 119.27 1j89 s GLU 161 Ca -0.08 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.66 1j89 s GLU 161 Cb -0.05 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 1j89 s GLU 161 CO 0.01 0.63 0.53 -1.54 -0.54 0.00 0.00 175.26 174.35 1j89 s SER 162 N -1.50 6.26 0.60 -1.70 1.04 -0.57 -4.70 113.70 113.14 1j89 s SER 162 Ca 0.19 0.37 -0.18 0.00 0.48 0.00 0.00 55.95 56.81 1j89 s SER 162 Cb -0.11 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 1j89 s SER 162 CO 0.09 -0.30 1.21 -1.61 0.98 0.00 0.00 173.24 173.62 1j89 s GLU 163 N -4.28 2.90 0.29 4.02 0.41 -1.26 -4.67 118.70 116.11 1j89 s GLU 163 Ca 0.40 1.83 -0.25 0.00 -0.41 0.00 0.00 54.97 56.54 1j89 s GLU 163 Cb -0.10 -1.92 -0.09 0.00 -1.78 0.00 0.00 34.13 30.24 1j89 s GLU 163 CO 0.35 -1.26 0.89 -1.25 -0.49 0.00 0.00 175.26 173.50 1j89 s PRO 164 N -3.37 4.52 -0.06 0.39 0.04 -1.26 -4.63 135.00 130.62 1j89 s PRO 164 Ca 0.78 1.23 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1j89 s PRO 164 Cb -0.31 -2.85 0.01 0.00 0.04 0.00 0.00 34.50 31.39 1j89 s PRO 164 CO 0.34 0.32 -0.12 -1.17 0.04 0.00 0.00 177.00 176.41 1j89 s LEU 165 N -1.97 1.65 0.30 -3.56 2.96 0.34 -4.95 118.68 113.45 1j89 s LEU 165 Ca 0.48 -0.30 -0.17 0.00 -0.22 0.00 0.00 54.13 53.92 1j89 s LEU 165 Cb -0.19 -0.83 -0.09 0.00 0.50 0.00 0.00 46.19 45.59 1j89 s LEU 165 CO 0.24 0.04 0.76 0.20 -1.32 0.00 0.00 176.35 176.26 1j89 s ASN 166 N 0.64 6.89 -0.09 3.68 0.01 -1.26 0.22 114.94 125.04 1j89 s ASN 166 Ca -0.14 1.37 -0.04 0.00 -0.71 0.00 0.00 52.86 53.34 1j89 s ASN 166 Cb -0.16 -2.41 0.04 0.00 0.41 0.00 0.00 41.25 39.14 1j89 s ASN 166 CO 0.04 -0.14 0.20 -0.63 -1.51 0.00 0.00 177.10 175.06 1j89 s ILE 167 N -1.84 -0.06 -0.13 0.60 1.01 0.88 -4.94 121.20 116.71 1j89 s ILE 167 Ca 0.51 0.17 0.01 0.00 0.00 0.00 0.00 60.65 61.34 1j89 s ILE 167 Cb -0.12 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.05 1j89 s ILE 167 CO 0.18 0.07 -0.14 -0.89 0.00 0.00 0.00 174.94 174.16 1j89 s THR 168 N 1.29 1.53 -0.35 2.92 2.01 -0.80 -1.23 115.64 121.02 1j89 s THR 168 Ca -0.09 -0.62 -0.11 0.00 0.31 0.00 0.00 61.69 61.18 1j89 s THR 168 Cb -0.11 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 70.98 1j89 s THR 168 CO -0.07 0.45 0.19 -0.69 -0.69 0.00 0.00 174.62 173.80 1j89 s VAL 169 N 1.34 4.62 0.36 3.82 1.01 -1.26 -0.19 120.40 130.10 1j89 s VAL 169 Ca 0.01 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1j89 s VAL 169 Cb -0.13 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1j89 s VAL 169 CO -0.08 -0.11 0.51 0.27 0.00 0.00 0.00 175.10 175.70 1j89 s ILE 170 N 1.59 3.94 -0.05 2.22 -4.36 0.23 -4.79 121.20 119.98 1j89 s ILE 170 Ca 0.03 -0.93 0.00 0.00 -0.26 0.00 0.00 60.65 59.50 1j89 s ILE 170 Cb -0.18 -3.37 0.00 0.00 1.25 0.00 0.00 42.46 40.16 1j89 s ILE 170 CO 0.07 -0.16 0.51 2.29 0.24 0.00 0.00 174.94 177.89