#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 3.74 -0.12 1.64 0.04 -1.26 -5.03 135.00 134.01 1j89 s PRO 5 Ca 0.00 0.53 -0.04 0.00 0.04 0.00 0.00 61.00 61.54 1j89 s PRO 5 Cb 0.00 -2.31 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1j89 s PRO 5 CO 0.00 -0.17 0.09 0.21 0.04 0.00 0.00 177.00 177.17 1j89 s LYS 6 N -4.21 0.02 -0.01 4.56 2.20 -1.26 -4.27 119.74 116.77 1j89 s LYS 6 Ca 0.52 0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 1j89 s LYS 6 Cb -0.10 -1.22 -0.06 0.00 -1.51 0.00 0.00 37.83 34.93 1j89 s LYS 6 CO 0.37 -0.52 1.54 0.08 -0.36 0.00 0.00 175.35 176.45 1j89 s VAL 7 N 2.17 3.51 0.24 4.02 1.01 -1.26 -2.55 120.40 127.54 1j89 s VAL 7 Ca 0.03 0.83 0.07 0.00 0.00 0.00 0.00 61.98 62.91 1j89 s VAL 7 Cb -0.14 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1j89 s VAL 7 CO -0.07 -0.03 0.19 -0.94 0.00 0.00 0.00 175.10 174.25 1j89 s SER 8 N 2.48 5.52 0.20 3.32 1.04 -0.33 -4.98 113.70 120.95 1j89 s SER 8 Ca 0.69 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.96 1j89 s SER 8 Cb -0.34 -1.41 -0.05 0.00 0.10 0.00 0.00 66.02 64.33 1j89 s SER 8 CO 0.28 -0.02 -0.14 -0.76 0.98 0.00 0.00 173.24 173.59 1j89 s LEU 9 N -3.72 2.55 -0.30 2.42 1.43 -1.26 -1.96 118.68 117.84 1j89 s LEU 9 Ca 0.33 -1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1j89 s LEU 9 Cb -0.08 -0.63 0.17 0.00 0.03 0.00 0.00 46.19 45.68 1j89 s LEU 9 CO 0.25 -0.19 0.61 0.21 0.23 0.00 0.00 176.35 177.46 1j89 s ASN 10 N -3.30 -1.32 1.05 2.29 2.47 -1.00 -4.12 114.94 111.02 1j89 s ASN 10 Ca 0.22 1.07 -0.20 0.00 0.42 0.00 0.00 52.86 54.37 1j89 s ASN 10 Cb -0.00 2.21 0.00 0.00 -1.45 0.00 0.00 41.25 42.01 1j89 s ASN 10 CO 0.06 -0.25 -0.36 -2.65 -3.72 0.00 0.00 177.10 170.18 1j89 n PRO 11 N 5.44 -0.88 0.18 0.43 -0.02 -1.26 -2.25 135.00 136.64 1j89 n PRO 11 Ca -0.04 -0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.25 1j89 n PRO 11 Cb 0.50 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.77 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 -1.65 0.00 -6.07 0.52 0.11 -1.94 -3.45 132.00 119.52 1j89 h PRO 12 Ca -0.48 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.97 1j89 h PRO 12 Cb 1.35 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 1j89 h PRO 12 CO 0.32 0.39 1.29 0.91 -0.21 0.00 0.00 178.00 180.70 1j89 n TRP 13 N -3.46 1.87 -1.06 0.65 5.03 -1.26 -4.84 117.44 114.37 1j89 n TRP 13 Ca 0.00 0.20 -0.02 0.00 3.03 0.00 0.00 57.50 60.70 1j89 n TRP 13 Cb 0.54 -2.58 0.30 0.00 -1.03 0.00 0.00 31.31 28.55 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 8.76 4.64 -3.58 -0.99 6.94 -1.26 -4.70 115.26 125.06 1j89 n ASN 14 Ca 0.34 -3.21 -0.28 0.00 -0.02 0.00 0.00 54.58 51.40 1j89 n ASN 14 Cb 0.26 -0.70 -0.15 0.00 -2.36 0.00 0.00 39.78 36.82 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 -2.97 0.23 0.20 -3.83 0.52 -1.26 -2.98 118.95 108.86 1j89 s ARG 15 Ca 0.53 -0.50 0.10 0.00 -0.52 0.00 0.00 55.73 55.33 1j89 s ARG 15 Cb 0.42 -1.39 -0.04 0.00 0.52 0.00 0.00 34.95 34.45 1j89 s ARG 15 CO 0.12 -0.94 -0.19 0.96 0.02 0.00 0.00 175.30 175.27 1j89 s ILE 16 N 2.05 2.03 1.24 1.52 -4.36 0.30 -4.86 121.20 119.11 1j89 s ILE 16 Ca 0.07 -2.07 -0.21 0.00 -0.26 0.00 0.00 60.65 58.19 1j89 s ILE 16 Cb -0.16 -2.01 0.30 0.00 1.25 0.00 0.00 42.46 41.84 1j89 s ILE 16 CO -0.30 -0.33 1.12 -0.36 0.24 0.00 0.00 174.94 175.30 1j89 s PHE 17 N -2.20 0.17 -0.08 1.37 2.99 -1.26 0.43 117.98 119.40 1j89 s PHE 17 Ca 0.20 0.39 -0.25 0.00 0.00 0.00 0.00 56.93 57.28 1j89 s PHE 17 Cb -0.05 -3.50 -0.03 0.00 0.00 0.00 0.00 43.02 39.43 1j89 s PHE 17 CO 0.09 -4.05 0.76 0.21 -0.00 0.00 0.00 175.22 172.23 1j89 s LYS 18 N -5.51 4.41 0.00 0.44 2.20 -0.45 -3.80 119.74 117.04 1j89 s LYS 18 Ca 0.72 0.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 1j89 s LYS 18 Cb -0.08 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1j89 s LYS 18 CO 0.56 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 1j89 n GLY 19 N 3.18 0.63 3.87 5.54 0.00 0.88 -4.80 105.19 114.49 1j89 n GLY 19 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.84 3.68 -0.02 1.61 2.02 -1.25 -3.52 118.70 120.39 1j89 s GLU 20 Ca 0.00 0.74 0.02 0.00 0.02 0.00 0.00 54.97 55.75 1j89 s GLU 20 Cb 0.00 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 1j89 s GLU 20 CO 0.00 -0.45 -0.06 -0.80 0.02 0.00 0.00 175.26 173.97 1j89 s ASN 21 N -3.88 4.72 0.03 -0.19 0.01 -1.26 -2.35 114.94 112.02 1j89 s ASN 21 Ca 0.55 -0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.64 1j89 s ASN 21 Cb -0.11 -1.16 -0.02 0.00 0.41 0.00 0.00 41.25 40.37 1j89 s ASN 21 CO 0.47 0.31 -0.06 0.54 -1.51 0.00 0.00 177.10 176.85 1j89 s VAL 22 N -0.94 0.41 -0.14 1.60 0.11 -0.74 -4.70 120.40 116.00 1j89 s VAL 22 Ca 0.16 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.22 1j89 s VAL 22 Cb -0.11 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1j89 s VAL 22 CO 0.06 -0.41 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.31 1j89 s THR 23 N -1.38 2.09 -0.40 5.04 2.01 -0.95 -0.89 115.64 121.16 1j89 s THR 23 Ca -0.12 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.80 1j89 s THR 23 Cb -0.10 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.62 1j89 s THR 23 CO -0.00 0.55 0.26 -0.76 -0.69 0.00 0.00 174.62 173.97 1j89 s LEU 24 N 0.82 5.01 -0.14 4.42 1.43 -0.50 -2.36 118.68 127.35 1j89 s LEU 24 Ca -0.07 -1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 51.74 1j89 s LEU 24 Cb -0.15 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1j89 s LEU 24 CO -0.02 -0.47 0.21 -0.89 0.23 0.00 0.00 176.35 175.41 1j89 s THR 25 N 1.54 5.37 0.21 5.49 2.01 -0.83 -1.13 115.64 128.30 1j89 s THR 25 Ca 0.03 0.37 -0.25 0.00 0.31 0.00 0.00 61.69 62.14 1j89 s THR 25 Cb -0.21 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 1j89 s THR 25 CO 0.06 0.50 0.81 0.00 -0.69 0.00 0.00 174.62 175.30 1j89 n ASN 27 N 1.30 0.00 0.00 0.00 5.15 -1.06 -4.80 115.26 115.85 1j89 n ASN 27 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1j89 n ASN 27 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 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 1.29 0.12 8.20 0.00 -1.26 -4.88 105.19 108.66 1j89 n GLY 28 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.16 0.00 1.61 -1.24 -1.99 -3.46 115.58 110.34 1j89 h ASN 29 Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 56.30 56.63 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 0.36 0.00 0.59 -1.29 0.00 0.00 177.43 177.09 1j89 n ASN 30 N -4.93 0.08 -4.32 1.15 5.03 -1.26 -5.08 115.26 105.93 1j89 n ASN 30 Ca -0.08 0.02 -0.34 0.00 0.87 0.00 0.00 54.58 55.05 1j89 n ASN 30 Cb 0.27 -0.02 -0.14 0.00 -1.02 0.00 0.00 39.78 38.87 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 -1.10 2.86 0.42 3.10 0.40 -1.26 -5.11 117.98 117.28 1j89 s PHE 31 Ca 0.00 -0.87 0.06 0.00 -0.60 0.00 0.00 56.93 55.52 1j89 s PHE 31 Cb 0.00 -1.95 -0.07 0.00 0.51 0.00 0.00 43.02 41.51 1j89 s PHE 31 CO 0.00 -0.40 0.01 0.12 0.70 0.00 0.00 175.22 175.65 1j89 s PHE 32 N 0.86 2.43 -0.01 0.36 5.36 -1.26 -5.07 117.98 120.65 1j89 s PHE 32 Ca -0.03 -0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 55.20 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 0.00 0.40 -0.06 -1.91 -1.46 0.00 0.00 175.22 172.20 1j89 n GLU 33 N -0.98 0.10 -1.58 10.12 4.07 -1.26 -5.08 120.64 126.03 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 -0.66 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 -3.40 3.31 0.51 6.31 0.31 -1.26 -4.94 118.33 119.18 1j89 n VAL 34 Ca -0.06 -0.50 0.06 0.00 -0.01 0.00 0.00 64.34 63.82 1j89 n VAL 34 Cb 0.37 -1.03 0.02 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.42 1.63 -4.27 4.52 3.41 -1.26 -4.66 113.62 112.57 1j89 n SER 35 Ca 0.13 -1.32 -0.44 0.00 -0.26 0.00 0.00 58.87 56.98 1j89 n SER 35 Cb 0.47 0.26 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.28 6.37 -0.03 4.04 1.04 -1.26 -4.28 113.70 118.30 1j89 s SER 36 Ca 0.12 -2.65 0.05 0.00 0.48 0.00 0.00 55.95 53.95 1j89 s SER 36 Cb 0.10 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 64.08 1j89 s SER 36 CO 0.23 -0.55 -0.18 -0.89 0.98 0.00 0.00 173.24 172.83 1j89 s THR 37 N 0.24 1.42 -0.04 2.02 2.01 -0.78 -4.39 115.64 116.11 1j89 s THR 37 Ca 0.16 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.41 1j89 s THR 37 Cb -0.14 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1j89 s THR 37 CO -0.07 0.40 0.03 -0.54 -0.69 0.00 0.00 174.62 173.76 1j89 s LYS 38 N -0.23 2.97 -0.05 4.92 1.02 -0.82 -4.35 119.74 123.19 1j89 s LYS 38 Ca 0.03 -0.48 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1j89 s LYS 38 Cb -0.09 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1j89 s LYS 38 CO 0.00 0.67 -0.12 -1.58 -0.92 0.00 0.00 175.35 173.40 1j89 s TRP 39 N -1.04 1.36 -0.62 3.18 0.23 -1.25 -2.95 118.94 117.85 1j89 s TRP 39 Ca 0.18 -0.44 0.05 0.00 -2.03 0.00 0.00 56.10 53.86 1j89 s TRP 39 Cb -0.12 -0.97 0.18 0.00 0.03 0.00 0.00 33.47 32.59 1j89 s TRP 39 CO 0.08 -0.20 0.50 1.19 0.96 0.00 0.00 176.95 179.47 1j89 n PHE 40 N 3.53 2.24 -1.94 -1.98 3.01 -0.58 -0.23 117.46 121.51 1j89 n PHE 40 Ca -0.21 -4.04 -0.40 0.00 1.01 0.00 0.00 57.45 53.81 1j89 n PHE 40 Cb 0.53 -0.41 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.25 1.60 -0.90 1.38 2.46 -0.93 -1.88 115.29 115.76 1j89 s HIS 41 Ca 0.29 0.86 0.00 0.00 0.47 0.00 0.00 55.06 56.68 1j89 s HIS 41 Cb 0.01 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 1j89 s HIS 41 CO -0.15 -2.58 0.00 0.09 -2.47 0.00 0.00 174.74 169.62 1j89 n ASN 42 N 12.50 -3.80 0.00 9.88 4.13 0.83 -3.02 115.26 135.79 1j89 n ASN 42 Ca 0.24 0.15 0.00 0.00 1.68 0.00 0.00 54.58 56.65 1j89 n ASN 42 Cb 0.51 -2.39 0.00 0.00 -1.54 0.00 0.00 39.78 36.36 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 -1.62 2.87 3.68 7.41 0.00 -0.79 -5.02 105.19 111.73 1j89 n GLY 43 Ca -0.10 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 6.46 0.60 1.61 0.01 -1.17 -4.78 113.70 116.44 1j89 s SER 44 Ca 0.00 2.68 -0.18 0.00 1.31 0.00 0.00 55.95 59.76 1j89 s SER 44 Cb 0.00 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 1j89 s SER 44 CO 0.00 -1.01 0.78 -0.11 0.41 0.00 0.00 173.24 173.32 1j89 n LEU 45 N 6.30 2.53 -4.90 2.44 7.94 -1.26 -2.20 117.00 127.85 1j89 n LEU 45 Ca 0.18 0.76 -0.20 0.00 -1.11 0.00 0.00 56.01 55.64 1j89 n LEU 45 Cb 0.39 -1.30 -0.02 0.00 0.53 0.00 0.00 43.42 43.02 1j89 n LEU 45 CO 0.66 -2.37 0.03 -0.55 -1.11 0.00 0.00 177.39 174.05 1j89 s SER 46 N -1.26 5.12 0.05 1.96 0.15 0.68 -4.80 113.70 115.61 1j89 s SER 46 Ca 0.73 -0.72 0.24 0.00 0.70 0.00 0.00 55.95 56.91 1j89 s SER 46 Cb -0.42 -0.52 0.39 0.00 -1.71 0.00 0.00 66.02 63.76 1j89 s SER 46 CO 0.50 -0.70 1.33 -0.62 1.20 0.00 0.00 173.24 174.95 1j89 n GLU 47 N -1.62 0.15 -2.78 5.44 1.02 -1.26 -4.79 120.64 116.79 1j89 n GLU 47 Ca 0.04 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 1j89 n GLU 47 Cb 0.61 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 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 -3.09 3.81 0.00 3.49 2.56 -1.26 -4.98 118.70 119.24 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 0.16 -2.35 0.00 0.00 2.00 0.00 0.00 34.13 33.94 1j89 s GLU 48 CO 0.72 -0.07 0.00 0.25 -0.56 0.00 0.00 175.26 175.60 1j89 n THR 49 N -1.33 0.00 -1.32 -1.70 -2.24 -1.26 -4.60 114.28 101.83 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 -0.37 0.10 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.29 0.72 0.21 3.42 2.85 -1.26 -1.87 115.26 118.04 1j89 n ASN 50 Ca 0.00 0.66 0.15 0.00 -0.11 0.00 0.00 54.58 55.27 1j89 n ASN 50 Cb 0.23 -1.44 0.63 0.00 1.24 0.00 0.00 39.78 40.43 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 -3.47 1.20 4.64 -1.89 -3.40 113.55 110.27 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 1.32 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.12 1j89 h SER 51 CO 0.47 0.00 -0.49 -0.44 -0.87 0.00 0.00 176.83 175.50 1j89 s SER 52 N -4.91 5.56 -0.51 4.97 0.01 -1.26 -1.66 113.70 115.89 1j89 s SER 52 Ca 0.02 -1.56 -0.19 0.00 1.31 0.00 0.00 55.95 55.53 1j89 s SER 52 Cb 0.09 -1.96 0.06 0.00 0.21 0.00 0.00 66.02 64.43 1j89 s SER 52 CO 0.45 -0.53 0.62 -0.22 0.41 0.00 0.00 173.24 173.97 1j89 s LEU 53 N 1.38 5.03 0.60 2.44 2.96 -0.28 -4.93 118.68 125.87 1j89 s LEU 53 Ca 0.03 -0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 52.87 1j89 s LEU 53 Cb -0.23 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1j89 s LEU 53 CO 0.01 -0.89 0.99 0.20 -1.32 0.00 0.00 176.35 175.34 1j89 s ASN 54 N 2.75 6.25 -0.09 3.68 0.01 -1.26 -1.42 114.94 124.86 1j89 s ASN 54 Ca 0.14 1.35 -0.02 0.00 -0.71 0.00 0.00 52.86 53.63 1j89 s ASN 54 Cb -0.20 -2.44 0.03 0.00 0.41 0.00 0.00 41.25 39.06 1j89 s ASN 54 CO 0.11 -0.82 0.03 -0.63 -1.51 0.00 0.00 177.10 174.28 1j89 s ILE 55 N -3.10 0.25 0.00 0.60 1.01 -0.07 -4.94 121.20 114.95 1j89 s ILE 55 Ca 0.54 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1j89 s ILE 55 Cb -0.11 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1j89 s ILE 55 CO 0.52 0.14 0.00 0.52 0.00 0.00 0.00 174.94 176.12 1j89 n VAL 56 N 5.18 0.00 0.00 2.92 0.31 -1.26 -1.79 118.33 123.69 1j89 n VAL 56 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1j89 n VAL 56 Cb 0.50 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 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 -0.69 0.00 -4.47 4.52 3.02 -1.25 -4.59 115.26 111.80 1j89 n ASN 57 Ca 0.00 0.00 -0.50 0.00 -0.03 0.00 0.00 54.58 54.05 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 1.18 -2.76 5.41 0.00 -0.99 -4.58 120.51 118.78 1j89 n ALA 58 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 1j89 n ALA 58 Cb 0.00 -2.60 -0.08 0.00 0.00 0.00 0.00 19.45 16.77 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 6.20 3.10 0.53 0.00 1.02 -1.26 -0.08 119.74 129.24 1j89 s LYS 59 Ca 1.08 -0.38 0.43 0.00 0.02 0.00 0.00 55.97 57.11 1j89 s LYS 59 Cb -0.78 -2.89 1.62 0.00 -0.52 0.00 0.00 37.83 35.26 1j89 s LYS 59 CO 0.47 0.70 1.66 0.74 -0.92 0.00 0.00 175.35 177.99 1j89 h PHE 60 N 4.76 0.10 0.00 3.18 0.05 -1.93 0.82 116.94 123.92 1j89 h PHE 60 Ca -0.51 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.25 1j89 h PHE 60 Cb 1.20 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 39.12 1j89 h PHE 60 CO 0.66 -0.03 -0.14 0.93 -0.18 0.00 0.00 178.31 179.55 1j89 h GLU 61 N 0.02 0.00 0.00 1.51 3.07 -2.00 -1.97 114.58 115.21 1j89 h GLU 61 Ca 0.80 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.64 1j89 h GLU 61 Cb 3.09 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 30.99 1j89 h GLU 61 CO -0.08 0.14 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.11 1j89 h ASP 62 N 0.00 0.00 -2.61 1.42 3.32 0.29 -3.43 116.42 115.42 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 0.41 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.00 1j89 h ASP 62 CO 0.02 0.13 1.05 -0.44 -1.72 0.00 0.00 179.24 178.28 1j89 s SER 63 N -5.98 6.47 0.00 6.45 0.01 -0.74 -4.85 113.70 115.05 1j89 s SER 63 Ca -0.00 2.70 0.00 0.00 1.31 0.00 0.00 55.95 59.96 1j89 s SER 63 Cb 0.11 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1j89 s SER 63 CO 0.59 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.89 1j89 n GLY 64 N 4.11 -0.93 3.48 3.44 0.00 0.15 -4.94 105.19 110.50 1j89 n GLY 64 Ca 0.17 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.01 3.71 0.40 1.61 2.12 -1.26 0.52 118.70 124.79 1j89 s GLU 65 Ca 0.00 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 54.95 1j89 s GLU 65 Cb 0.00 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 31.04 1j89 s GLU 65 CO 0.00 -0.09 0.04 0.71 -0.54 0.00 0.00 175.26 175.38 1j89 s TYR 66 N 1.34 2.53 -0.20 5.30 1.51 -0.13 -0.12 117.35 127.58 1j89 s TYR 66 Ca 0.05 -0.61 -0.31 0.00 -1.01 0.00 0.00 57.07 55.19 1j89 s TYR 66 Cb -0.15 -1.75 0.15 0.00 -0.11 0.00 0.00 41.96 40.11 1j89 s TYR 66 CO 0.03 0.41 1.16 -1.59 -1.11 0.00 0.00 175.55 174.46 1j89 s LYS 67 N -3.74 0.36 0.07 -0.62 -2.85 -1.26 -1.54 119.74 110.16 1j89 s LYS 67 Ca 0.36 0.00 0.06 0.00 -1.00 0.00 0.00 55.97 55.39 1j89 s LYS 67 Cb 0.07 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.97 1j89 s LYS 67 CO 0.19 -0.13 -0.15 0.00 0.10 0.00 0.00 175.35 175.36 1j89 s GLN 69 N -1.75 0.50 0.00 0.00 0.74 -1.15 -0.86 119.66 117.14 1j89 s GLN 69 Ca -0.01 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.29 1j89 s GLN 69 Cb -0.10 0.22 0.00 0.00 1.10 0.00 0.00 33.01 34.23 1j89 s GLN 69 CO 0.02 -0.12 0.00 0.72 -0.55 0.00 0.00 175.29 175.37 1j89 n HIS 70 N 1.81 -3.01 -0.04 1.67 8.25 -1.26 -1.95 115.22 120.69 1j89 n HIS 70 Ca -0.19 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.18 1j89 n HIS 70 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.65 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 0.05 -1.73 -0.41 5.75 -2.02 -3.29 115.11 113.46 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 -0.01 -0.41 0.00 1.07 0.00 0.00 27.48 28.13 1j89 h GLN 71 CO 0.00 0.03 -0.94 0.94 -2.65 0.00 0.00 178.83 176.21 1j89 n GLN 72 N -5.15 2.20 -3.92 1.69 7.27 -1.26 -5.06 117.38 113.15 1j89 n GLN 72 Ca -0.02 -4.01 -0.10 0.00 0.07 0.00 0.00 57.00 52.93 1j89 n GLN 72 Cb 0.11 -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 -3.87 0.06 -0.04 1.69 1.01 -1.24 -5.02 120.40 112.99 1j89 s VAL 73 Ca 0.41 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 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 -0.27 1.05 0.20 0.00 0.00 0.00 175.10 175.98 1j89 s ASN 74 N -0.81 7.25 0.20 3.32 0.01 -1.26 -4.08 114.94 119.56 1j89 s ASN 74 Ca -0.09 1.68 -0.27 0.00 -0.71 0.00 0.00 52.86 53.47 1j89 s ASN 74 Cb -0.06 -2.56 -0.17 0.00 0.41 0.00 0.00 41.25 38.87 1j89 s ASN 74 CO -0.00 -0.39 0.51 -1.84 -1.51 0.00 0.00 177.10 173.86 1j89 n GLU 75 N 4.46 0.00 -1.14 -0.60 0.28 -1.26 -4.35 120.64 118.02 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 -0.98 0.11 0.00 1.43 0.00 0.00 31.44 32.49 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 -0.98 4.06 -0.19 -1.84 1.04 -0.04 -4.87 113.70 110.88 1j89 s SER 76 Ca 0.63 1.97 -0.29 0.00 0.48 0.00 0.00 55.95 58.74 1j89 s SER 76 Cb -0.91 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 62.63 1j89 s SER 76 CO 0.55 -2.33 1.84 -1.61 0.98 0.00 0.00 173.24 172.67 1j89 s GLU 77 N -4.72 3.63 0.82 4.02 0.41 -1.26 -4.67 118.70 116.93 1j89 s GLU 77 Ca 0.64 1.88 -0.17 0.00 -0.41 0.00 0.00 54.97 56.91 1j89 s GLU 77 Cb -0.20 -4.16 -0.12 0.00 -1.78 0.00 0.00 34.13 27.87 1j89 s GLU 77 CO 0.55 -1.51 -0.35 -2.30 -0.49 0.00 0.00 175.26 171.16 1j89 n PRO 78 N 8.01 0.01 -4.32 0.39 -0.02 -1.26 -4.75 135.00 133.06 1j89 n PRO 78 Ca 0.22 0.01 -0.18 0.00 -2.02 0.00 0.00 63.50 61.54 1j89 n PRO 78 Cb 0.45 -1.17 -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 -2.02 0.70 -0.14 -1.45 1.01 -0.59 -4.92 120.40 113.00 1j89 s VAL 79 Ca 0.49 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1j89 s VAL 79 Cb -0.30 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1j89 s VAL 79 CO 0.74 0.13 0.05 -0.47 0.00 0.00 0.00 175.10 175.55 1j89 s TYR 80 N -0.35 3.28 -0.13 5.22 5.04 -1.26 -0.96 117.35 128.19 1j89 s TYR 80 Ca 0.02 0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 1j89 s TYR 80 Cb -0.04 -1.95 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 1j89 s TYR 80 CO -0.00 0.36 -0.17 -1.17 -1.34 0.00 0.00 175.55 173.22 1j89 s LEU 81 N -0.30 2.43 -0.06 6.97 2.96 0.19 -4.90 118.68 125.96 1j89 s LEU 81 Ca 0.08 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 1j89 s LEU 81 Cb -0.12 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1j89 s LEU 81 CO 0.02 0.14 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.25 1j89 s GLU 82 N 0.50 2.54 -0.03 1.98 2.12 -1.16 0.30 118.70 124.96 1j89 s GLU 82 Ca -0.12 -0.87 0.03 0.00 0.36 0.00 0.00 54.97 54.38 1j89 s GLU 82 Cb -0.16 -2.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.99 1j89 s GLU 82 CO 0.05 0.43 -0.10 0.08 -0.54 0.00 0.00 175.26 175.17 1j89 s VAL 83 N -0.27 3.40 0.16 3.70 1.01 -1.25 -0.54 120.40 126.61 1j89 s VAL 83 Ca -0.00 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1j89 s VAL 83 Cb -0.13 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1j89 s VAL 83 CO 0.03 0.50 -0.10 -0.36 0.00 0.00 0.00 175.10 175.17 1j89 s PHE 84 N -0.86 1.33 -0.13 5.22 0.40 0.17 -4.93 117.98 119.18 1j89 s PHE 84 Ca 0.14 -0.76 -0.01 0.00 -0.60 0.00 0.00 56.93 55.70 1j89 s PHE 84 Cb -0.11 -0.68 0.04 0.00 0.51 0.00 0.00 43.02 42.78 1j89 s PHE 84 CO 0.04 0.10 -0.02 0.45 0.70 0.00 0.00 175.22 176.49 1j89 s SER 85 N -3.19 2.27 -0.12 1.36 0.15 -1.26 -1.34 113.70 111.57 1j89 s SER 85 Ca 0.18 -0.42 -0.33 0.00 0.70 0.00 0.00 55.95 56.08 1j89 s SER 85 Cb 0.03 -0.65 0.15 0.00 -1.71 0.00 0.00 66.02 63.83 1j89 s SER 85 CO 0.02 -0.21 1.42 -0.62 1.20 0.00 0.00 173.24 175.05 1j89 s ASP 86 N 1.83 -0.01 0.01 5.45 -1.08 -1.26 -5.06 116.67 116.54 1j89 s ASP 86 Ca 0.03 -0.02 -0.25 0.00 -0.52 0.00 0.00 52.55 51.79 1j89 s ASP 86 Cb -0.14 0.02 -0.17 0.00 -1.46 0.00 0.00 42.92 41.17 1j89 s ASP 86 CO -0.07 -0.04 1.26 -0.50 0.52 0.00 0.00 175.17 176.34 1j89 h TRP 87 N 2.00 -0.28 -4.36 -5.34 6.55 -1.95 -3.42 115.95 109.16 1j89 h TRP 87 Ca -0.29 -0.01 -0.59 0.00 0.95 0.00 0.00 58.89 58.95 1j89 h TRP 87 Cb 1.18 0.09 -0.30 0.00 -0.86 0.00 0.00 29.16 29.28 1j89 h TRP 87 CO 0.29 0.06 -0.85 -0.51 -1.05 0.00 0.00 178.44 176.38 1j89 s LEU 88 N -9.48 2.03 -0.06 -4.49 1.43 -1.26 -0.99 118.68 105.86 1j89 s LEU 88 Ca -0.14 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 1j89 s LEU 88 Cb 0.02 -1.04 0.01 0.00 0.03 0.00 0.00 46.19 45.21 1j89 s LEU 88 CO 0.57 0.24 -0.14 -0.22 0.23 0.00 0.00 176.35 177.03 1j89 s LEU 89 N -0.42 1.77 -0.38 1.79 2.96 0.86 -4.27 118.68 120.98 1j89 s LEU 89 Ca 0.06 -0.33 -0.22 0.00 -0.22 0.00 0.00 54.13 53.42 1j89 s LEU 89 Cb -0.08 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.72 1j89 s LEU 89 CO -0.00 0.08 0.73 -0.22 -1.32 0.00 0.00 176.35 175.62 1j89 s LEU 90 N 0.44 4.21 -0.12 -0.68 2.96 -1.26 -0.87 118.68 123.35 1j89 s LEU 90 Ca -0.11 0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1j89 s LEU 90 Cb -0.14 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 1j89 s LEU 90 CO 0.04 -0.73 0.13 -1.10 -1.32 0.00 0.00 176.35 173.37 1j89 s GLN 91 N 3.01 3.44 0.01 1.98 -0.21 0.87 -4.92 119.66 123.84 1j89 s GLN 91 Ca 0.29 -0.15 0.07 0.00 0.02 0.00 0.00 55.36 55.59 1j89 s GLN 91 Cb -0.13 -3.18 -0.02 0.00 1.00 0.00 0.00 33.01 30.68 1j89 s GLN 91 CO 0.17 0.76 -0.20 0.00 -2.12 0.00 0.00 175.29 173.90 1j89 s ALA 92 N -0.98 1.71 0.05 6.09 0.00 -1.26 0.44 121.76 127.82 1j89 s ALA 92 Ca 0.15 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.94 1j89 s ALA 92 Cb -0.12 -0.40 -0.11 0.00 0.00 0.00 0.00 23.12 22.50 1j89 s ALA 92 CO 0.04 0.41 1.35 0.66 0.00 0.00 0.00 175.76 178.21 1j89 h SER 93 N 5.35 -0.90 -4.38 0.00 4.64 -1.50 -3.38 113.55 113.37 1j89 h SER 93 Ca -0.40 0.08 -0.33 0.00 -0.47 0.00 0.00 61.79 60.67 1j89 h SER 93 Cb 1.15 0.30 -0.18 0.00 -0.31 0.00 0.00 62.40 63.36 1j89 h SER 93 CO 0.46 -0.41 -0.74 0.00 -0.87 0.00 0.00 176.83 175.28 1j89 s ALA 94 N -4.88 1.11 -0.13 5.18 0.00 -1.26 -4.66 121.76 117.11 1j89 s ALA 94 Ca -0.11 -1.17 0.21 0.00 0.00 0.00 0.00 51.96 50.88 1j89 s ALA 94 Cb 0.03 0.02 -0.18 0.00 0.00 0.00 0.00 23.12 22.99 1j89 s ALA 94 CO 0.38 -0.02 0.68 0.39 0.00 0.00 0.00 175.76 177.19 1j89 n GLU 95 N 0.62 0.64 -4.76 0.00 1.02 -1.26 -4.88 120.64 112.02 1j89 n GLU 95 Ca -0.16 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.72 1j89 n GLU 95 Cb 0.57 -1.68 -0.17 0.00 -0.02 0.00 0.00 31.44 30.15 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 -3.23 1.38 0.06 2.62 1.01 -1.26 -1.89 120.40 119.09 1j89 s VAL 96 Ca -0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1j89 s VAL 96 Cb 0.11 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1j89 s VAL 96 CO 0.84 0.41 -0.10 -0.69 0.00 0.00 0.00 175.10 175.57 1j89 s VAL 97 N 0.57 0.77 -0.16 2.92 1.01 0.54 -5.00 120.40 121.05 1j89 s VAL 97 Ca -0.16 -1.32 -0.25 0.00 0.00 0.00 0.00 61.98 60.26 1j89 s VAL 97 Cb -0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1j89 s VAL 97 CO 0.05 -0.42 0.81 -0.04 0.00 0.00 0.00 175.10 175.50 1j89 s MET 98 N -2.05 4.30 -0.05 2.72 -1.94 -1.26 -0.10 119.30 120.92 1j89 s MET 98 Ca -0.03 0.99 -0.36 0.00 -1.71 0.00 0.00 55.69 54.57 1j89 s MET 98 Cb -0.07 -3.56 -0.18 0.00 2.01 0.00 0.00 34.83 33.02 1j89 s MET 98 CO 0.00 -0.29 1.01 -1.91 -0.01 0.00 0.00 175.02 173.82 1j89 n GLU 99 N 5.11 0.00 0.00 2.03 2.13 0.57 -1.32 120.64 129.16 1j89 n GLU 99 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1j89 n GLU 99 Cb 0.49 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.86 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 1.58 3.22 3.72 8.31 0.00 0.32 -4.90 105.19 117.45 1j89 n GLY 100 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.70 -0.24 0.28 1.61 -1.52 -0.43 -3.39 119.66 115.27 1j89 s GLN 101 Ca 0.00 -0.08 -0.09 0.00 -1.95 0.00 0.00 55.36 53.24 1j89 s GLN 101 Cb 0.00 -1.71 -0.07 0.00 -0.22 0.00 0.00 33.01 31.01 1j89 s GLN 101 CO 0.00 -3.06 0.61 -1.25 -0.25 0.00 0.00 175.29 171.34 1j89 s PRO 102 N -5.50 3.78 -0.05 2.91 0.04 -0.99 -1.48 135.00 133.72 1j89 s PRO 102 Ca 0.70 0.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.03 1j89 s PRO 102 Cb -0.09 -2.58 0.03 0.00 0.04 0.00 0.00 34.50 31.90 1j89 s PRO 102 CO 0.55 0.22 0.01 -1.17 0.04 0.00 0.00 177.00 176.64 1j89 s LEU 103 N -3.18 0.78 -0.12 -3.56 2.96 0.50 -4.91 118.68 111.15 1j89 s LEU 103 Ca 0.48 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1j89 s LEU 103 Cb -0.11 -0.31 0.02 0.00 0.50 0.00 0.00 46.19 46.29 1j89 s LEU 103 CO 0.24 -0.16 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.60 1j89 s PHE 104 N 1.57 2.04 0.07 5.38 0.40 -1.26 0.12 117.98 126.29 1j89 s PHE 104 Ca -0.02 -1.01 0.06 0.00 -0.60 0.00 0.00 56.93 55.37 1j89 s PHE 104 Cb -0.13 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1j89 s PHE 104 CO -0.03 -0.52 -0.10 -0.51 0.70 0.00 0.00 175.22 174.75 1j89 s LEU 105 N 1.09 3.01 -0.02 -0.37 1.43 -0.51 -1.24 118.68 122.06 1j89 s LEU 105 Ca -0.04 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1j89 s LEU 105 Cb -0.14 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1j89 s LEU 105 CO -0.04 0.22 0.04 -0.60 0.23 0.00 0.00 176.35 176.20 1j89 s ARG 106 N -1.86 -0.03 -0.59 1.70 3.52 0.17 -3.01 118.95 118.85 1j89 s ARG 106 Ca 0.19 0.19 -0.22 0.00 -0.13 0.00 0.00 55.73 55.76 1j89 s ARG 106 Cb -0.11 -0.22 0.07 0.00 -1.56 0.00 0.00 34.95 33.12 1j89 s ARG 106 CO 0.11 -0.16 0.85 0.00 -0.81 0.00 0.00 175.30 175.29 1j89 s HIS 108 N 3.54 3.31 0.73 0.00 2.46 -0.05 -4.96 115.29 120.32 1j89 s HIS 108 Ca 0.21 0.43 -0.10 0.00 0.47 0.00 0.00 55.06 56.07 1j89 s HIS 108 Cb -0.17 -2.47 0.05 0.00 -0.13 0.00 0.00 32.58 29.86 1j89 s HIS 108 CO 0.12 -0.06 1.08 0.20 -2.47 0.00 0.00 174.74 173.61 1j89 s GLY 109 N 1.26 1.62 0.40 1.59 0.00 -1.26 -0.10 107.32 110.84 1j89 s GLY 109 Ca 0.14 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 44.06 1j89 s GLY 109 CO 0.08 -0.23 0.84 0.86 0.00 0.00 0.00 173.10 174.65 1j89 s TRP 110 N -3.36 3.39 -0.88 1.90 -0.11 -0.16 -3.75 118.94 115.96 1j89 s TRP 110 Ca 0.59 1.32 -0.03 0.00 1.22 0.00 0.00 56.10 59.21 1j89 s TRP 110 Cb -0.11 -2.64 0.02 0.00 -1.50 0.00 0.00 33.47 29.24 1j89 s TRP 110 CO 0.48 -0.09 0.13 0.54 -4.62 0.00 0.00 176.95 173.39 1j89 n ARG 111 N -0.88 -2.65 -2.81 5.86 1.74 -1.26 -0.18 116.66 116.48 1j89 n ARG 111 Ca 0.05 0.42 -0.14 0.00 -0.77 0.00 0.00 57.85 57.41 1j89 n ARG 111 Cb 0.54 -5.02 -0.01 0.00 -1.02 0.00 0.00 32.46 26.95 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 -1.87 -3.18 -2.77 0.55 2.85 -1.25 -4.93 115.26 104.67 1j89 n ASN 112 Ca -0.08 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1j89 n ASN 112 Cb 0.57 -2.71 0.00 0.00 1.24 0.00 0.00 39.78 38.87 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 -2.43 -4.58 1.20 8.01 0.75 -5.02 117.44 111.98 1j89 n TRP 113 Ca -0.07 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.79 1j89 n TRP 113 Cb 0.56 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.73 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 -1.59 4.50 -0.06 -0.99 1.01 -1.26 -4.76 116.67 113.51 1j89 s ASP 114 Ca 0.00 -0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.10 1j89 s ASP 114 Cb 0.00 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.31 1j89 s ASP 114 CO 0.00 0.21 -0.09 -0.69 0.21 0.00 0.00 175.17 174.81 1j89 s VAL 115 N 0.11 3.54 0.45 -1.27 1.01 -1.26 -4.43 120.40 118.54 1j89 s VAL 115 Ca -0.03 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1j89 s VAL 115 Cb -0.14 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1j89 s VAL 115 CO 0.03 0.59 0.01 -0.31 0.00 0.00 0.00 175.10 175.43 1j89 s TYR 116 N -0.80 2.21 -1.33 5.22 1.51 -0.58 -2.82 117.35 120.77 1j89 s TYR 116 Ca 0.12 -0.82 -0.15 0.00 -1.01 0.00 0.00 57.07 55.21 1j89 s TYR 116 Cb -0.11 -1.67 0.01 0.00 -0.11 0.00 0.00 41.96 40.08 1j89 s TYR 116 CO 0.01 0.32 0.47 1.63 -1.11 0.00 0.00 175.55 176.87 1j89 n LYS 117 N -1.07 -1.32 -3.04 -0.62 5.02 -0.67 -0.83 118.16 115.64 1j89 n LYS 117 Ca -0.11 0.23 -0.38 0.00 -2.02 0.00 0.00 58.31 56.03 1j89 n LYS 117 Cb 0.67 -3.56 -0.06 0.00 -0.02 0.00 0.00 35.03 32.06 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 -3.84 4.46 -0.05 -0.18 1.01 0.56 -4.33 120.40 118.03 1j89 s VAL 118 Ca 0.25 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 1j89 s VAL 118 Cb -0.12 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1j89 s VAL 118 CO 0.94 0.41 0.10 -0.63 0.00 0.00 0.00 175.10 175.91 1j89 s ILE 119 N -1.29 -0.07 0.12 2.22 1.01 -0.74 -0.75 121.20 121.70 1j89 s ILE 119 Ca 0.38 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.23 1j89 s ILE 119 Cb -0.20 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.04 1j89 s ILE 119 CO 0.24 0.09 0.31 -0.31 0.00 0.00 0.00 174.94 175.27 1j89 s TYR 120 N 1.28 3.49 -0.04 3.97 1.51 -1.00 -1.04 117.35 125.52 1j89 s TYR 120 Ca -0.07 0.39 0.03 0.00 -1.01 0.00 0.00 57.07 56.40 1j89 s TYR 120 Cb -0.12 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1j89 s TYR 120 CO -0.05 0.49 -0.11 0.71 -1.11 0.00 0.00 175.55 175.48 1j89 s TYR 121 N -1.64 1.17 -0.19 2.71 1.51 0.98 -1.27 117.35 120.62 1j89 s TYR 121 Ca 0.38 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.12 1j89 s TYR 121 Cb -0.12 -0.84 0.04 0.00 -0.11 0.00 0.00 41.96 40.93 1j89 s TYR 121 CO 0.27 -0.15 -0.12 0.21 -1.11 0.00 0.00 175.55 174.65 1j89 s LYS 122 N 0.29 2.17 -1.20 -0.62 2.20 -0.88 -1.84 119.74 119.85 1j89 s LYS 122 Ca -0.06 -0.82 -0.02 0.00 -0.36 0.00 0.00 55.97 54.71 1j89 s LYS 122 Cb -0.11 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.80 1j89 s LYS 122 CO 0.01 -0.38 0.89 -0.25 -0.36 0.00 0.00 175.35 175.26 1j89 n ASP 123 N 4.68 -2.64 0.00 1.43 8.00 -0.43 -2.47 116.55 125.12 1j89 n ASP 123 Ca -0.16 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1j89 n ASP 123 Cb 0.47 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 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 -1.30 0.77 3.89 0.44 0.00 -1.26 -4.99 105.19 102.74 1j89 n GLY 124 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.37 3.52 0.30 1.61 0.41 -1.03 -5.08 118.70 118.06 1j89 s GLU 125 Ca 0.00 -0.14 -0.29 0.00 -0.41 0.00 0.00 54.97 54.13 1j89 s GLU 125 Cb 0.00 -3.12 -0.10 0.00 -1.78 0.00 0.00 34.13 29.13 1j89 s GLU 125 CO 0.00 0.69 1.21 0.00 -0.49 0.00 0.00 175.26 176.67 1j89 s ALA 126 N -1.23 3.46 0.09 5.21 0.00 -1.26 -2.07 121.76 125.95 1j89 s ALA 126 Ca 0.24 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1j89 s ALA 126 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1j89 s ALA 126 CO 0.14 -0.41 0.00 -0.11 0.00 0.00 0.00 175.76 175.38 1j89 n LEU 127 N 1.07 0.89 -4.28 0.00 7.94 -0.40 -4.87 117.00 117.37 1j89 n LEU 127 Ca -0.00 0.13 -0.15 0.00 -1.11 0.00 0.00 56.01 54.87 1j89 n LEU 127 Cb 0.43 -0.26 -0.10 0.00 0.53 0.00 0.00 43.42 44.02 1j89 n LEU 127 CO 0.57 -0.72 -0.39 -0.54 -1.11 0.00 0.00 177.39 175.20 1j89 s LYS 128 N -1.83 1.15 -0.14 1.96 -0.14 -1.23 -4.97 119.74 114.53 1j89 s LYS 128 Ca 0.00 -1.52 -0.14 0.00 -1.36 0.00 0.00 55.97 52.95 1j89 s LYS 128 Cb 0.00 -0.64 0.04 0.00 -1.68 0.00 0.00 37.83 35.55 1j89 s LYS 128 CO 0.00 0.03 0.40 -0.47 -0.76 0.00 0.00 175.35 174.55 1j89 s TYR 129 N -3.34 -0.43 0.23 3.18 5.04 -1.26 -2.39 117.35 118.39 1j89 s TYR 129 Ca 0.20 1.03 -0.11 0.00 -2.44 0.00 0.00 57.07 55.75 1j89 s TYR 129 Cb 0.03 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.48 1j89 s TYR 129 CO 0.03 -0.22 0.42 -1.58 -1.34 0.00 0.00 175.55 172.86 1j89 s TRP 130 N 0.13 0.42 0.00 4.97 0.52 0.07 -5.00 118.94 120.06 1j89 s TRP 130 Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 56.10 55.34 1j89 s TRP 130 Cb -0.03 0.09 0.00 0.00 -1.15 0.00 0.00 33.47 32.39 1j89 s TRP 130 CO 0.01 -0.92 0.00 0.98 0.02 0.00 0.00 176.95 177.04 1j89 n TYR 131 N -0.35 0.00 -1.99 -1.98 9.36 -1.26 -0.32 117.16 120.62 1j89 n TYR 131 Ca -0.02 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.78 1j89 n TYR 131 Cb 0.62 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 4.23 1.37 2.98 0.41 -1.26 -1.66 118.70 124.76 1j89 s GLU 132 Ca 0.00 2.28 -0.21 0.00 -0.41 0.00 0.00 54.97 56.63 1j89 s GLU 132 Cb 0.00 -3.39 0.35 0.00 -1.78 0.00 0.00 34.13 29.31 1j89 s GLU 132 CO 0.00 -0.63 0.95 0.54 -0.49 0.00 0.00 175.26 175.63 1j89 s ASN 133 N 1.72 -0.61 0.00 -0.19 4.22 -1.13 -4.96 114.94 114.00 1j89 s ASN 133 Ca 0.70 0.98 0.00 0.00 -2.14 0.00 0.00 52.86 52.41 1j89 s ASN 133 Cb -0.40 -1.43 0.00 0.00 1.28 0.00 0.00 41.25 40.70 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 -3.54 1.54 -0.00 -1.26 -5.08 115.22 101.40 1j89 n HIS 134 Ca 0.10 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 58.00 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 0.21 2.64 -0.59 0.26 0.01 -1.26 -4.49 114.94 111.71 1j89 s ASN 135 Ca 0.00 -2.98 -0.37 0.00 -0.71 0.00 0.00 52.86 48.80 1j89 s ASN 135 Cb 0.00 -0.73 -0.17 0.00 0.41 0.00 0.00 41.25 40.75 1j89 s ASN 135 CO 0.00 -0.20 2.32 0.00 -1.51 0.00 0.00 177.10 177.71 1j89 n ILE 136 N 3.01 0.04 -4.11 0.60 3.06 -1.16 -4.72 119.36 116.08 1j89 n ILE 136 Ca 0.22 -0.12 -0.31 0.00 -2.50 0.00 0.00 62.75 60.04 1j89 n ILE 136 Cb 0.42 -0.94 -0.07 0.00 0.54 0.00 0.00 39.64 39.59 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 7.53 5.30 -0.06 9.51 0.15 -1.26 -1.43 113.70 133.45 1j89 s SER 137 Ca 1.20 -0.06 -0.02 0.00 0.70 0.00 0.00 55.95 57.77 1j89 s SER 137 Cb -1.19 -1.37 0.03 0.00 -1.71 0.00 0.00 66.02 61.78 1j89 s SER 137 CO 0.55 0.19 0.03 -0.63 1.20 0.00 0.00 173.24 174.58 1j89 s ILE 138 N -1.31 0.16 0.00 6.45 1.01 0.32 -4.99 121.20 122.84 1j89 s ILE 138 Ca 0.26 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1j89 s ILE 138 Cb -0.12 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1j89 s ILE 138 CO 0.19 0.22 0.00 0.35 0.00 0.00 0.00 174.94 175.70 1j89 n THR 139 N 5.17 0.00 -2.86 2.92 -2.24 -1.26 0.19 114.28 116.19 1j89 n THR 139 Ca -0.06 0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1j89 n THR 139 Cb 0.50 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.39 6.78 -0.20 3.42 3.84 -1.26 -2.34 114.94 123.79 1j89 s ASN 140 Ca 0.00 0.87 -0.12 0.00 0.21 0.00 0.00 52.86 53.82 1j89 s ASN 140 Cb 0.00 -2.45 -0.05 0.00 -0.55 0.00 0.00 41.25 38.21 1j89 s ASN 140 CO 0.00 -0.64 0.23 0.00 -2.79 0.00 0.00 177.10 173.90 1j89 s ALA 141 N 3.07 3.61 0.35 1.71 0.00 -0.55 -4.88 121.76 125.08 1j89 s ALA 141 Ca 0.36 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1j89 s ALA 141 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1j89 s ALA 141 CO 0.11 -0.05 0.58 0.99 0.00 0.00 0.00 175.76 177.39 1j89 s THR 142 N 0.78 5.07 -0.01 0.00 2.01 -1.26 0.12 115.64 122.35 1j89 s THR 142 Ca 0.12 -0.29 0.23 0.00 0.31 0.00 0.00 61.69 62.06 1j89 s THR 142 Cb -0.13 -3.84 0.23 0.00 0.01 0.00 0.00 72.50 68.77 1j89 s THR 142 CO 0.03 -0.56 1.73 1.62 -0.69 0.00 0.00 174.62 176.76 1j89 h VAL 143 N 0.78 0.49 0.00 3.82 3.04 -1.95 -2.68 116.25 119.75 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 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 1j89 h VAL 143 CO 0.62 0.23 0.00 -0.62 -1.01 0.00 0.00 177.57 176.79 1j89 n GLU 144 N -3.29 0.07 0.15 4.17 4.71 -1.26 -2.03 120.64 123.16 1j89 n GLU 144 Ca 0.01 0.29 0.13 0.00 -0.01 0.00 0.00 57.16 57.58 1j89 n GLU 144 Cb 0.49 -1.62 0.47 0.00 -1.01 0.00 0.00 31.44 29.78 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 -2.80 1.62 3.32 -1.88 -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 0.03 0.00 0.22 0.00 0.00 39.33 39.88 1j89 h ASP 145 CO 0.00 0.00 0.90 -0.44 -1.72 0.00 0.00 179.24 177.98 1j89 s SER 146 N -4.69 6.65 0.00 6.45 0.01 -0.86 -4.91 113.70 116.35 1j89 s SER 146 Ca 0.06 2.47 0.00 0.00 1.31 0.00 0.00 55.95 59.79 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 0.49 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1j89 n GLY 147 N 3.81 0.62 3.17 3.44 0.00 -0.23 -4.97 105.19 111.03 1j89 n GLY 147 Ca 0.14 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.01 2.78 0.30 2.61 -4.23 -1.26 0.42 115.64 114.25 1j89 s THR 148 Ca 0.00 -1.23 0.07 0.00 -1.18 0.00 0.00 61.69 59.35 1j89 s THR 148 Cb 0.00 -2.50 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1j89 s THR 148 CO 0.00 0.07 0.32 -0.31 -0.54 0.00 0.00 174.62 174.16 1j89 s TYR 149 N 1.27 3.07 -0.14 3.99 1.51 0.24 -1.31 117.35 125.98 1j89 s TYR 149 Ca -0.03 -0.20 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 1j89 s TYR 149 Cb -0.18 -1.72 0.13 0.00 -0.11 0.00 0.00 41.96 40.08 1j89 s TYR 149 CO -0.04 0.25 1.01 1.52 -1.11 0.00 0.00 175.55 177.19 1j89 s TYR 150 N -2.19 -0.33 0.19 2.71 -0.85 -0.77 0.18 117.35 116.30 1j89 s TYR 150 Ca 0.39 0.47 0.08 0.00 -0.52 0.00 0.00 57.07 57.48 1j89 s TYR 150 Cb -0.08 0.48 -0.05 0.00 0.38 0.00 0.00 41.96 42.70 1j89 s TYR 150 CO 0.27 -0.35 -0.15 0.00 -1.52 0.00 0.00 175.55 173.80 1j89 s THR 152 N -2.78 1.23 0.12 0.00 -4.23 -0.21 -1.76 115.64 108.00 1j89 s THR 152 Ca 0.20 -0.99 -0.26 0.00 -1.18 0.00 0.00 61.69 59.46 1j89 s THR 152 Cb -0.02 -1.09 0.07 0.00 1.34 0.00 0.00 72.50 72.80 1j89 s THR 152 CO 0.06 0.09 0.95 -0.83 -0.54 0.00 0.00 174.62 174.35 1j89 s GLY 153 N -1.04 -0.29 -0.28 3.99 0.00 -0.84 -1.79 107.32 107.07 1j89 s GLY 153 Ca 0.03 0.33 -0.09 0.00 0.00 0.00 0.00 44.72 44.99 1j89 s GLY 153 CO 0.01 0.08 0.13 1.25 0.00 0.00 0.00 173.10 174.56 1j89 s LYS 154 N -3.23 3.51 -0.19 2.90 2.20 -0.01 -0.72 119.74 124.20 1j89 s LYS 154 Ca 0.11 -0.59 -0.06 0.00 -0.36 0.00 0.00 55.97 55.07 1j89 s LYS 154 Cb -0.01 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1j89 s LYS 154 CO -0.00 -0.31 0.03 0.08 -0.36 0.00 0.00 175.35 174.78 1j89 s VAL 155 N 1.63 4.31 0.00 4.02 1.01 -0.18 -1.52 120.40 129.67 1j89 s VAL 155 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1j89 s VAL 155 Cb -0.16 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1j89 s VAL 155 CO 0.06 0.44 0.00 0.79 0.00 0.00 0.00 175.10 176.39 1j89 n TRP 156 N 3.93 0.00 -2.11 5.22 7.02 -1.26 -1.27 117.44 128.96 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 0.01 0.00 -2.42 0.00 0.00 31.31 29.42 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 0.01 -4.20 -0.99 1.13 -1.26 -5.07 117.38 107.00 1j89 n GLN 157 Ca 0.00 -1.24 -0.19 0.00 -1.94 0.00 0.00 57.00 53.63 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 -0.01 2.31 0.24 1.08 1.43 -0.40 -5.13 118.68 118.20 1j89 s LEU 158 Ca 0.08 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 1j89 s LEU 158 Cb 0.09 -0.55 -0.08 0.00 0.03 0.00 0.00 46.19 45.69 1j89 s LEU 158 CO -0.04 -0.09 0.64 -1.81 0.23 0.00 0.00 176.35 175.28 1j89 s ASP 159 N -1.95 6.78 -0.01 2.29 1.01 -1.26 -1.01 116.67 122.52 1j89 s ASP 159 Ca 0.02 1.14 -0.07 0.00 0.71 0.00 0.00 52.55 54.35 1j89 s ASP 159 Cb -0.08 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1j89 s ASP 159 CO 0.03 -0.06 0.14 -0.31 0.21 0.00 0.00 175.17 175.17 1j89 s TYR 160 N -1.75 -0.00 0.04 4.23 1.51 0.10 -4.95 117.35 116.53 1j89 s TYR 160 Ca 0.47 -0.01 0.04 0.00 -1.01 0.00 0.00 57.07 56.56 1j89 s TYR 160 Cb -0.12 -0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1j89 s TYR 160 CO 0.19 -0.24 -0.05 -2.00 -1.11 0.00 0.00 175.55 172.35 1j89 s GLU 161 N -1.03 2.49 0.27 -0.62 2.12 -1.26 -1.99 118.70 118.68 1j89 s GLU 161 Ca -0.11 -0.80 0.03 0.00 0.36 0.00 0.00 54.97 54.45 1j89 s GLU 161 Cb -0.06 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 1j89 s GLU 161 CO 0.01 0.57 0.43 -1.54 -0.54 0.00 0.00 175.26 174.19 1j89 s SER 162 N -1.81 6.32 0.56 -1.70 1.04 -0.72 -4.67 113.70 112.71 1j89 s SER 162 Ca 0.20 0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.68 1j89 s SER 162 Cb -0.11 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 1j89 s SER 162 CO 0.12 -0.15 1.27 -1.61 0.98 0.00 0.00 173.24 173.85 1j89 s GLU 163 N -4.00 3.14 0.35 4.02 0.41 -1.26 -4.65 118.70 116.71 1j89 s GLU 163 Ca 0.37 2.01 -0.25 0.00 -0.41 0.00 0.00 54.97 56.68 1j89 s GLU 163 Cb -0.10 -2.14 -0.10 0.00 -1.78 0.00 0.00 34.13 30.02 1j89 s GLU 163 CO 0.32 -1.12 0.97 -1.25 -0.49 0.00 0.00 175.26 173.69 1j89 s PRO 164 N -3.05 4.44 -0.05 0.39 0.04 -1.26 -4.62 135.00 130.90 1j89 s PRO 164 Ca 0.73 1.36 0.02 0.00 0.04 0.00 0.00 61.00 63.15 1j89 s PRO 164 Cb -0.35 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.53 1j89 s PRO 164 CO 0.40 0.14 -0.11 -1.17 0.04 0.00 0.00 177.00 176.30 1j89 s LEU 165 N -2.32 1.66 0.19 -3.56 2.96 0.48 -4.94 118.68 113.15 1j89 s LEU 165 Ca 0.53 -0.25 -0.19 0.00 -0.22 0.00 0.00 54.13 54.01 1j89 s LEU 165 Cb -0.18 -0.71 -0.08 0.00 0.50 0.00 0.00 46.19 45.72 1j89 s LEU 165 CO 0.24 0.04 0.68 0.20 -1.32 0.00 0.00 176.35 176.18 1j89 s ASN 166 N 0.52 7.03 -0.04 3.68 0.01 -1.26 0.81 114.94 125.70 1j89 s ASN 166 Ca -0.10 1.35 -0.01 0.00 -0.71 0.00 0.00 52.86 53.38 1j89 s ASN 166 Cb -0.13 -2.39 0.03 0.00 0.41 0.00 0.00 41.25 39.17 1j89 s ASN 166 CO 0.02 0.08 0.07 -0.63 -1.51 0.00 0.00 177.10 175.13 1j89 s ILE 167 N -1.45 -0.08 -0.12 0.60 1.01 0.17 -4.95 121.20 116.38 1j89 s ILE 167 Ca 0.40 0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.34 1j89 s ILE 167 Cb -0.17 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1j89 s ILE 167 CO 0.21 0.11 -0.18 -0.89 0.00 0.00 0.00 174.94 174.18 1j89 s THR 168 N 1.43 1.75 -0.36 2.92 2.01 -0.79 -1.07 115.64 121.53 1j89 s THR 168 Ca -0.05 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 1j89 s THR 168 Cb -0.12 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.85 1j89 s THR 168 CO -0.04 0.49 0.16 -0.69 -0.69 0.00 0.00 174.62 173.85 1j89 s VAL 169 N 0.86 4.16 0.42 3.82 1.01 -1.26 -0.34 120.40 129.07 1j89 s VAL 169 Ca -0.08 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1j89 s VAL 169 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1j89 s VAL 169 CO -0.01 -0.22 0.61 0.27 0.00 0.00 0.00 175.10 175.75 1j89 s ILE 170 N 1.47 3.79 -0.01 2.22 -4.36 0.86 -4.76 121.20 120.41 1j89 s ILE 170 Ca 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 1j89 s ILE 170 Cb -0.19 -3.37 0.00 0.00 1.25 0.00 0.00 42.46 40.15 1j89 s ILE 170 CO 0.05 -0.21 0.50 2.29 0.24 0.00 0.00 174.94 177.81