#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j88 s PRO 5 N 0.00 3.81 -0.12 1.64 0.04 -1.26 -5.07 135.00 134.04 1j88 s PRO 5 Ca 0.00 0.45 -0.02 0.00 0.04 0.00 0.00 61.00 61.47 1j88 s PRO 5 Cb 0.00 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 32.14 1j88 s PRO 5 CO 0.00 0.05 0.02 0.21 0.04 0.00 0.00 177.00 177.32 1j88 s LYS 6 N -3.56 0.59 -0.04 4.56 2.20 -1.26 -4.09 119.74 118.14 1j88 s LYS 6 Ca 0.51 -0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.74 1j88 s LYS 6 Cb -0.10 -1.41 -0.05 0.00 -1.51 0.00 0.00 37.83 34.75 1j88 s LYS 6 CO 0.27 -0.44 1.51 0.08 -0.36 0.00 0.00 175.35 176.42 1j88 s VAL 7 N 1.94 3.69 0.25 4.02 1.01 -1.26 -3.66 120.40 126.39 1j88 s VAL 7 Ca 0.03 0.94 0.08 0.00 0.00 0.00 0.00 61.98 63.03 1j88 s VAL 7 Cb -0.14 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1j88 s VAL 7 CO -0.06 -0.05 0.08 -0.94 0.00 0.00 0.00 175.10 174.12 1j88 s SER 8 N 2.57 4.98 0.15 3.32 1.04 -0.79 -4.98 113.70 119.99 1j88 s SER 8 Ca 0.67 -0.45 0.10 0.00 0.48 0.00 0.00 55.95 56.75 1j88 s SER 8 Cb -0.31 -1.10 -0.04 0.00 0.10 0.00 0.00 66.02 64.67 1j88 s SER 8 CO 0.26 0.00 -0.22 -0.76 0.98 0.00 0.00 173.24 173.51 1j88 s LEU 9 N -3.63 2.38 -0.25 2.42 1.43 -1.26 -1.92 118.68 117.86 1j88 s LEU 9 Ca 0.31 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1j88 s LEU 9 Cb -0.07 -0.99 0.14 0.00 0.03 0.00 0.00 46.19 45.30 1j88 s LEU 9 CO 0.22 0.06 0.43 0.21 0.23 0.00 0.00 176.35 177.49 1j88 s ASN 10 N -2.38 -0.13 1.03 2.29 2.47 -0.96 -3.74 114.94 113.53 1j88 s ASN 10 Ca 0.14 0.47 -0.14 0.00 0.42 0.00 0.00 52.86 53.75 1j88 s ASN 10 Cb -0.08 1.35 0.11 0.00 -1.45 0.00 0.00 41.25 41.18 1j88 s ASN 10 CO 0.07 -0.28 0.47 -2.65 -3.72 0.00 0.00 177.10 170.98 1j88 n PRO 11 N 5.38 -1.06 0.25 0.43 -0.02 -1.26 -1.98 135.00 136.74 1j88 n PRO 11 Ca -0.04 -0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.30 1j88 n PRO 11 Cb 0.50 -1.92 0.62 0.00 -0.02 0.00 0.00 33.50 32.68 1j88 n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j88 h PRO 12 N -1.94 0.00 -6.31 0.52 0.11 -1.94 -3.45 132.00 118.99 1j88 h PRO 12 Ca -0.49 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.98 1j88 h PRO 12 Cb 1.31 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.45 1j88 h PRO 12 CO 0.39 0.13 0.92 0.91 -0.21 0.00 0.00 178.00 180.14 1j88 n TRP 13 N -3.36 2.18 -0.56 0.65 5.03 -1.26 -4.82 117.44 115.29 1j88 n TRP 13 Ca -0.00 0.23 0.08 0.00 3.03 0.00 0.00 57.50 60.83 1j88 n TRP 13 Cb 0.33 -2.56 0.26 0.00 -1.03 0.00 0.00 31.31 28.31 1j88 n TRP 13 CO 0.00 0.00 0.00 0.27 -0.03 0.00 0.00 177.69 177.93 1j88 n ASN 14 N 5.15 3.89 -3.74 -0.99 6.94 -1.26 -4.79 115.26 120.46 1j88 n ASN 14 Ca 0.21 -2.43 -0.26 0.00 -0.02 0.00 0.00 54.58 52.08 1j88 n ASN 14 Cb 0.25 -0.45 -0.17 0.00 -2.36 0.00 0.00 39.78 37.05 1j88 n ASN 14 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1j88 s ARG 15 N -1.80 0.59 0.24 -3.83 0.52 -1.26 -2.47 118.95 110.95 1j88 s ARG 15 Ca 0.39 -0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1j88 s ARG 15 Cb 0.26 -1.62 -0.05 0.00 0.52 0.00 0.00 34.95 34.06 1j88 s ARG 15 CO 0.18 -0.50 -0.01 0.96 0.02 0.00 0.00 175.30 175.95 1j88 s ILE 16 N 1.93 1.11 0.54 1.52 -4.36 0.30 -4.87 121.20 117.37 1j88 s ILE 16 Ca 0.02 -2.04 -0.13 0.00 -0.26 0.00 0.00 60.65 58.23 1j88 s ILE 16 Cb -0.15 -2.37 -0.06 0.00 1.25 0.00 0.00 42.46 41.13 1j88 s ILE 16 CO -0.07 -0.31 0.97 -0.36 0.24 0.00 0.00 174.94 175.41 1j88 s PHE 17 N -3.37 3.53 0.12 1.37 2.99 -1.26 0.13 117.98 121.49 1j88 s PHE 17 Ca 0.29 1.32 -0.31 0.00 0.00 0.00 0.00 56.93 58.23 1j88 s PHE 17 Cb 0.06 -2.70 -0.10 0.00 0.00 0.00 0.00 43.02 40.27 1j88 s PHE 17 CO 0.09 -0.46 1.76 0.21 -0.00 0.00 0.00 175.22 176.83 1j88 s LYS 18 N -4.50 4.16 0.00 0.44 2.20 0.95 -2.40 119.74 120.59 1j88 s LYS 18 Ca 0.56 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.68 1j88 s LYS 18 Cb -0.10 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1j88 s LYS 18 CO 0.40 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1j88 n GLY 19 N 4.13 0.79 3.79 5.54 0.00 0.57 -4.83 105.19 115.18 1j88 n GLY 19 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1j88 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j88 s GLU 20 N -0.98 -0.47 0.11 1.61 2.02 -1.01 -3.81 118.70 116.16 1j88 s GLU 20 Ca 0.00 -0.40 0.08 0.00 0.02 0.00 0.00 54.97 54.67 1j88 s GLU 20 Cb 0.00 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 1j88 s GLU 20 CO 0.00 -3.16 -0.21 -0.80 0.02 0.00 0.00 175.26 171.12 1j88 s ASN 21 N -4.58 2.53 -0.18 -0.19 0.01 -1.26 -2.02 114.94 109.25 1j88 s ASN 21 Ca 0.75 -0.70 -0.20 0.00 -0.71 0.00 0.00 52.86 52.00 1j88 s ASN 21 Cb -0.04 -0.14 0.05 0.00 0.41 0.00 0.00 41.25 41.53 1j88 s ASN 21 CO 0.55 0.05 0.54 0.54 -1.51 0.00 0.00 177.10 177.26 1j88 s VAL 22 N -1.24 0.00 -0.16 1.60 0.11 -1.06 -4.67 120.40 114.98 1j88 s VAL 22 Ca 0.07 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1j88 s VAL 22 Cb -0.10 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1j88 s VAL 22 CO 0.04 -0.02 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.82 1j88 s THR 23 N 0.06 3.35 -0.45 5.04 2.01 -0.84 -2.06 115.64 122.75 1j88 s THR 23 Ca -0.02 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1j88 s THR 23 Cb -0.04 -2.45 0.10 0.00 0.01 0.00 0.00 72.50 70.12 1j88 s THR 23 CO 0.02 0.49 0.31 -0.76 -0.69 0.00 0.00 174.62 173.98 1j88 s LEU 24 N 0.64 5.45 0.45 4.42 1.43 -0.84 -2.25 118.68 127.98 1j88 s LEU 24 Ca -0.05 -1.73 -0.13 0.00 -1.03 0.00 0.00 54.13 51.19 1j88 s LEU 24 Cb -0.15 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 1j88 s LEU 24 CO 0.03 -0.62 0.86 -0.89 0.23 0.00 0.00 176.35 175.95 1j88 s THR 25 N 1.39 4.68 -0.48 5.49 2.01 -0.81 -2.24 115.64 125.67 1j88 s THR 25 Ca 0.04 0.88 0.15 0.00 0.31 0.00 0.00 61.69 63.07 1j88 s THR 25 Cb -0.25 -3.73 0.78 0.00 0.01 0.00 0.00 72.50 69.32 1j88 s THR 25 CO 0.01 -0.59 1.70 0.00 -0.69 0.00 0.00 174.62 175.04 1j88 s ASN 27 N -0.79 0.17 -0.33 0.00 4.22 -1.24 -4.19 114.94 112.78 1j88 s ASN 27 Ca 0.53 -0.82 -0.28 0.00 -2.14 0.00 0.00 52.86 50.15 1j88 s ASN 27 Cb 0.39 0.34 -0.04 0.00 1.28 0.00 0.00 41.25 43.22 1j88 s ASN 27 CO 0.18 -0.76 2.09 -0.83 -2.04 0.00 0.00 177.10 175.74 1j88 s GLY 28 N -2.92 0.42 0.00 0.45 0.00 -1.26 -4.19 107.32 99.82 1j88 s GLY 28 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.21 1j88 s GLY 28 CO -0.06 3.66 0.00 0.70 0.00 0.00 0.00 173.10 177.40 1j88 n ASN 29 N 12.02 0.00 -4.10 1.64 3.02 -1.26 -4.81 115.26 121.76 1j88 n ASN 29 Ca 0.28 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.55 1j88 n ASN 29 Cb 0.48 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.48 1j88 n ASN 29 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1j88 s ASN 30 N -1.34 2.32 0.17 6.41 -0.87 -1.26 -5.07 114.94 115.30 1j88 s ASN 30 Ca 0.00 -0.41 -0.03 0.00 -1.57 0.00 0.00 52.86 50.85 1j88 s ASN 30 Cb 0.00 -1.07 0.32 0.00 -0.02 0.00 0.00 41.25 40.48 1j88 s ASN 30 CO 0.00 0.08 0.92 0.49 -2.57 0.00 0.00 177.10 176.03 1j88 n PHE 31 N 3.70 0.26 -2.21 2.20 3.72 -1.26 -4.80 117.46 119.07 1j88 n PHE 31 Ca -0.21 0.72 -0.40 0.00 -0.05 0.00 0.00 57.45 57.51 1j88 n PHE 31 Cb 0.52 -0.87 -0.02 0.00 -0.94 0.00 0.00 39.48 38.17 1j88 n PHE 31 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1j88 s PHE 32 N -5.66 3.10 0.20 1.38 0.08 -1.26 -5.05 117.98 110.76 1j88 s PHE 32 Ca -0.09 1.50 0.09 0.00 0.12 0.00 0.00 56.93 58.56 1j88 s PHE 32 Cb 0.16 -3.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1j88 s PHE 32 CO 0.46 -1.54 -0.18 -1.21 -0.10 0.00 0.00 175.22 172.65 1j88 s GLU 33 N -1.95 1.40 -0.08 0.44 8.01 -1.26 -5.03 118.70 120.22 1j88 s GLU 33 Ca 0.52 -1.54 -0.04 0.00 0.01 0.00 0.00 54.97 53.92 1j88 s GLU 33 Cb -0.36 -1.42 0.04 0.00 -4.31 0.00 0.00 34.13 28.08 1j88 s GLU 33 CO 0.46 0.27 0.18 0.08 0.01 0.00 0.00 175.26 176.27 1j88 s VAL 34 N -2.35 -0.04 0.20 2.63 1.01 -1.26 -5.01 120.40 115.59 1j88 s VAL 34 Ca 0.21 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 1j88 s VAL 34 Cb -0.04 -0.29 0.32 0.00 0.00 0.00 0.00 36.38 36.37 1j88 s VAL 34 CO 0.09 0.06 1.16 -1.54 0.00 0.00 0.00 175.10 174.87 1j88 n SER 35 N 4.08 -0.30 -4.61 3.32 3.41 -1.26 -4.10 113.62 114.17 1j88 n SER 35 Ca -0.25 1.28 -0.43 0.00 -0.26 0.00 0.00 58.87 59.22 1j88 n SER 35 Cb 0.53 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1j88 n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1j88 s SER 36 N -5.20 6.70 -0.11 4.04 1.04 -1.26 -4.21 113.70 114.69 1j88 s SER 36 Ca -0.11 0.59 -0.30 0.00 0.48 0.00 0.00 55.95 56.60 1j88 s SER 36 Cb 0.19 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.89 1j88 s SER 36 CO 0.57 -1.08 0.85 -0.89 0.98 0.00 0.00 173.24 173.67 1j88 s THR 37 N 4.03 0.00 0.13 2.02 2.01 -1.22 -4.67 115.64 117.94 1j88 s THR 37 Ca 0.45 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.55 1j88 s THR 37 Cb -0.09 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1j88 s THR 37 CO 0.25 0.00 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.39 1j88 s LYS 38 N -1.10 1.34 -0.06 4.92 1.02 0.33 -4.57 119.74 121.62 1j88 s LYS 38 Ca -0.06 -1.33 0.02 0.00 0.02 0.00 0.00 55.97 54.62 1j88 s LYS 38 Cb -0.00 -1.76 0.02 0.00 -0.52 0.00 0.00 37.83 35.56 1j88 s LYS 38 CO 0.05 0.41 -0.10 -1.58 -0.92 0.00 0.00 175.35 173.21 1j88 s TRP 39 N -1.18 1.25 -0.36 3.18 0.52 -1.26 -2.49 118.94 118.60 1j88 s TRP 39 Ca 0.13 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.85 1j88 s TRP 39 Cb -0.10 -0.95 0.10 0.00 -1.15 0.00 0.00 33.47 31.38 1j88 s TRP 39 CO 0.06 -0.25 0.08 -0.06 0.02 0.00 0.00 176.95 176.80 1j88 s PHE 40 N 0.75 3.55 -0.50 -1.98 0.40 -0.15 0.77 117.98 120.83 1j88 s PHE 40 Ca -0.13 -2.96 -0.24 0.00 -0.60 0.00 0.00 56.93 53.00 1j88 s PHE 40 Cb -0.15 -2.83 0.03 0.00 0.51 0.00 0.00 43.02 40.58 1j88 s PHE 40 CO 0.02 -0.91 0.89 -1.58 0.70 0.00 0.00 175.22 174.34 1j88 s HIS 41 N 0.77 2.88 -1.23 0.36 2.46 -0.74 -3.33 115.29 116.46 1j88 s HIS 41 Ca 0.12 0.11 -0.02 0.00 0.47 0.00 0.00 55.06 55.73 1j88 s HIS 41 Cb -0.20 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.32 1j88 s HIS 41 CO -0.08 -1.19 0.29 0.09 -2.47 0.00 0.00 174.74 171.38 1j88 n ASN 42 N 7.17 -4.88 0.00 9.88 4.13 0.54 -2.62 115.26 129.48 1j88 n ASN 42 Ca 0.03 -0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1j88 n ASN 42 Cb 0.48 -3.83 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 1j88 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j88 n GLY 43 N -1.22 2.14 3.71 7.41 0.00 -1.24 -4.99 105.19 111.00 1j88 n GLY 43 Ca -0.12 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1j88 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j88 s SER 44 N 0.14 6.89 0.43 1.61 0.01 -1.08 -4.88 113.70 116.83 1j88 s SER 44 Ca 0.00 2.24 -0.26 0.00 1.31 0.00 0.00 55.95 59.24 1j88 s SER 44 Cb 0.00 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 1j88 s SER 44 CO 0.00 -0.61 1.43 -0.22 0.41 0.00 0.00 173.24 174.26 1j88 s LEU 45 N 1.14 4.17 0.44 2.44 2.96 -1.26 -1.79 118.68 126.78 1j88 s LEU 45 Ca 0.63 2.94 0.03 0.00 -0.22 0.00 0.00 54.13 57.51 1j88 s LEU 45 Cb -0.35 -3.86 0.01 0.00 0.50 0.00 0.00 46.19 42.49 1j88 s LEU 45 CO 0.30 -1.08 0.63 -0.55 -1.32 0.00 0.00 176.35 174.33 1j88 s SER 46 N -0.43 5.71 0.01 3.68 0.15 0.23 -4.85 113.70 118.21 1j88 s SER 46 Ca 0.59 -0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.48 1j88 s SER 46 Cb -0.44 -1.18 0.49 0.00 -1.71 0.00 0.00 66.02 63.18 1j88 s SER 46 CO 0.58 -0.74 1.40 -0.62 1.20 0.00 0.00 173.24 175.06 1j88 n GLU 47 N -1.99 0.04 -2.90 5.44 1.02 -1.26 -4.70 120.64 116.29 1j88 n GLU 47 Ca 0.03 0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.86 1j88 n GLU 47 Cb 0.58 -1.52 -0.07 0.00 -0.02 0.00 0.00 31.44 30.42 1j88 n GLU 47 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1j88 s GLU 48 N -3.03 4.14 0.00 3.49 2.56 -1.26 -4.97 118.70 119.63 1j88 s GLU 48 Ca 0.10 0.96 0.00 0.00 0.00 0.00 0.00 54.97 56.03 1j88 s GLU 48 Cb 0.17 -2.26 0.00 0.00 2.00 0.00 0.00 34.13 34.04 1j88 s GLU 48 CO 0.70 0.02 0.00 0.25 -0.56 0.00 0.00 175.26 175.67 1j88 n THR 49 N -0.61 0.00 -1.37 -1.70 -2.24 -1.26 -4.50 114.28 102.60 1j88 n THR 49 Ca 0.06 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.47 1j88 n THR 49 Cb 0.54 -0.66 0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1j88 n THR 49 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j88 n ASN 50 N -1.78 -1.25 0.20 3.42 2.85 -1.26 -3.38 115.26 114.07 1j88 n ASN 50 Ca 0.00 0.67 0.15 0.00 -0.11 0.00 0.00 54.58 55.28 1j88 n ASN 50 Cb 0.37 -1.18 0.59 0.00 1.24 0.00 0.00 39.78 40.81 1j88 n ASN 50 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1j88 h SER 51 N -0.03 0.00 -3.68 1.20 4.64 -1.86 -3.40 113.55 110.42 1j88 h SER 51 Ca -0.45 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.17 1j88 h SER 51 Cb 1.38 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.18 1j88 h SER 51 CO 0.45 0.00 -0.62 -0.44 -0.87 0.00 0.00 176.83 175.35 1j88 s SER 52 N -4.94 5.27 -0.51 4.97 0.01 -1.26 -1.90 113.70 115.34 1j88 s SER 52 Ca 0.03 -1.14 -0.16 0.00 1.31 0.00 0.00 55.95 55.98 1j88 s SER 52 Cb 0.09 -1.85 0.10 0.00 0.21 0.00 0.00 66.02 64.56 1j88 s SER 52 CO 0.46 -0.32 0.49 -0.22 0.41 0.00 0.00 173.24 174.06 1j88 s LEU 53 N 1.39 5.75 0.70 2.44 2.96 -0.95 -4.95 118.68 126.02 1j88 s LEU 53 Ca -0.02 -1.47 -0.11 0.00 -0.22 0.00 0.00 54.13 52.31 1j88 s LEU 53 Cb -0.19 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1j88 s LEU 53 CO 0.02 -0.80 1.07 0.20 -1.32 0.00 0.00 176.35 175.53 1j88 s ASN 54 N 3.08 5.38 -0.05 3.68 0.01 -1.26 -1.98 114.94 123.80 1j88 s ASN 54 Ca 0.05 1.43 -0.02 0.00 -0.71 0.00 0.00 52.86 53.61 1j88 s ASN 54 Cb -0.26 -2.30 0.03 0.00 0.41 0.00 0.00 41.25 39.14 1j88 s ASN 54 CO 0.06 -1.42 0.08 -0.63 -1.51 0.00 0.00 177.10 173.68 1j88 s ILE 55 N -3.15 -0.14 0.07 0.60 1.01 -0.88 -4.94 121.20 113.77 1j88 s ILE 55 Ca 0.58 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.64 1j88 s ILE 55 Cb -0.13 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1j88 s ILE 55 CO 0.54 0.17 0.08 0.52 0.00 0.00 0.00 174.94 176.25 1j88 n VAL 56 N 5.22 0.00 0.00 2.92 0.31 -1.26 -2.57 118.33 122.95 1j88 n VAL 56 Ca -0.05 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1j88 n VAL 56 Cb 0.50 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1j88 n VAL 56 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j88 n ASN 57 N -2.53 0.00 -4.71 4.52 3.02 -1.24 -4.60 115.26 109.72 1j88 n ASN 57 Ca 0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.13 1j88 n ASN 57 Cb 0.08 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1j88 n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j88 n ALA 58 N 0.00 2.23 -2.57 5.41 0.00 -0.86 -4.62 120.51 120.11 1j88 n ALA 58 Ca 0.00 0.41 -0.26 0.00 0.00 0.00 0.00 53.44 53.58 1j88 n ALA 58 Cb 0.00 -2.44 -0.09 0.00 0.00 0.00 0.00 19.45 16.92 1j88 n ALA 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1j88 s LYS 59 N 0.50 2.04 0.39 0.00 1.02 -1.26 -0.32 119.74 122.11 1j88 s LYS 59 Ca 0.72 -1.32 0.19 0.00 0.02 0.00 0.00 55.97 55.59 1j88 s LYS 59 Cb -0.56 -2.13 1.14 0.00 -0.52 0.00 0.00 37.83 35.77 1j88 s LYS 59 CO 0.40 0.42 1.73 0.74 -0.92 0.00 0.00 175.35 177.71 1j88 h PHE 60 N 2.78 0.70 0.00 3.18 0.05 -1.94 0.22 116.94 121.93 1j88 h PHE 60 Ca -0.46 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.35 1j88 h PHE 60 Cb 1.21 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.97 1j88 h PHE 60 CO 0.66 -0.02 -0.00 0.93 -0.18 0.00 0.00 178.31 179.70 1j88 h GLU 61 N 0.34 0.00 0.00 1.51 3.07 -2.00 -0.63 114.58 116.88 1j88 h GLU 61 Ca 0.66 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.51 1j88 h GLU 61 Cb 1.71 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.62 1j88 h GLU 61 CO -0.37 0.00 -0.04 -0.44 -1.40 0.00 0.00 179.01 176.76 1j88 h ASP 62 N 0.00 0.00 -3.69 1.42 3.32 -0.95 -3.43 116.42 113.09 1j88 h ASP 62 Ca -0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1j88 h ASP 62 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1j88 h ASP 62 CO 0.00 0.04 0.67 -1.20 -1.72 0.00 0.00 179.24 177.03 1j88 n SER 63 N -3.14 3.37 0.00 6.45 7.64 -0.25 -4.87 113.62 122.82 1j88 n SER 63 Ca 0.01 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1j88 n SER 63 Cb 0.37 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1j88 n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j88 n GLY 64 N 0.58 -1.44 3.63 0.23 0.00 0.19 -4.96 105.19 103.41 1j88 n GLY 64 Ca 0.03 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 1j88 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j88 s GLU 65 N -1.79 4.00 0.17 1.61 2.12 -1.26 -0.42 118.70 123.13 1j88 s GLU 65 Ca 0.00 -0.32 0.09 0.00 0.36 0.00 0.00 54.97 55.11 1j88 s GLU 65 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1j88 s GLU 65 CO 0.00 0.13 -0.20 0.71 -0.54 0.00 0.00 175.26 175.37 1j88 s TYR 66 N 0.80 1.93 -0.04 5.30 1.51 -0.02 -0.34 117.35 126.49 1j88 s TYR 66 Ca 0.06 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 1j88 s TYR 66 Cb -0.13 -0.96 0.10 0.00 -0.11 0.00 0.00 41.96 40.86 1j88 s TYR 66 CO 0.02 0.37 0.82 -1.59 -1.11 0.00 0.00 175.55 174.06 1j88 s LYS 67 N -2.76 0.89 0.23 -0.62 -2.85 -1.21 -1.21 119.74 112.22 1j88 s LYS 67 Ca 0.17 -0.05 0.06 0.00 -1.00 0.00 0.00 55.97 55.14 1j88 s LYS 67 Cb -0.06 0.42 -0.05 0.00 -2.06 0.00 0.00 37.83 36.07 1j88 s LYS 67 CO 0.07 -0.33 -0.06 0.00 0.10 0.00 0.00 175.35 175.13 1j88 s GLN 69 N -3.76 1.10 0.10 0.00 0.74 -1.04 -0.99 119.66 115.82 1j88 s GLN 69 Ca 0.26 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.93 1j88 s GLN 69 Cb 0.03 0.47 0.01 0.00 1.10 0.00 0.00 33.01 34.62 1j88 s GLN 69 CO 0.08 -0.43 0.05 0.72 -0.55 0.00 0.00 175.29 175.15 1j88 n HIS 70 N -0.23 -0.68 0.19 1.67 8.25 -1.26 -0.51 115.22 122.64 1j88 n HIS 70 Ca -0.15 -0.46 -0.14 0.00 -0.26 0.00 0.00 57.72 56.70 1j88 n HIS 70 Cb 0.64 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.60 1j88 n HIS 70 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1j88 h GLN 71 N 0.00 -0.60 -2.20 -0.41 5.75 -1.99 -3.30 115.11 112.37 1j88 h GLN 71 Ca -0.07 0.04 -0.58 0.00 -0.15 0.00 0.00 58.65 57.88 1j88 h GLN 71 Cb 0.24 0.14 -0.42 0.00 1.07 0.00 0.00 27.48 28.51 1j88 h GLN 71 CO 0.12 -0.40 -0.70 0.94 -2.65 0.00 0.00 178.83 176.14 1j88 n GLN 72 N -5.42 2.53 -3.67 1.69 7.27 -1.26 -5.05 117.38 113.47 1j88 n GLN 72 Ca -0.09 -4.52 -0.11 0.00 0.07 0.00 0.00 57.00 52.35 1j88 n GLN 72 Cb 0.32 -2.12 -0.05 0.00 2.41 0.00 0.00 30.24 30.80 1j88 n GLN 72 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1j88 s VAL 73 N -3.13 0.08 0.17 1.69 1.01 -1.25 -5.02 120.40 113.96 1j88 s VAL 73 Ca 0.43 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1j88 s VAL 73 Cb 0.22 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.36 1j88 s VAL 73 CO -0.07 -0.36 0.73 0.20 0.00 0.00 0.00 175.10 175.60 1j88 s ASN 74 N -2.68 7.25 0.60 3.32 -0.87 -1.26 -4.38 114.94 116.92 1j88 s ASN 74 Ca 0.02 1.53 -0.18 0.00 -1.57 0.00 0.00 52.86 52.66 1j88 s ASN 74 Cb 0.02 -2.46 -0.06 0.00 -0.02 0.00 0.00 41.25 38.73 1j88 s ASN 74 CO -0.10 0.17 0.81 -1.84 -2.57 0.00 0.00 177.10 173.56 1j88 n GLU 75 N 1.35 0.73 -1.52 -0.60 0.28 -1.26 -4.31 120.64 115.31 1j88 n GLU 75 Ca -0.05 0.29 -0.30 0.00 -0.16 0.00 0.00 57.16 56.93 1j88 n GLU 75 Cb 0.50 -2.01 0.08 0.00 1.43 0.00 0.00 31.44 31.44 1j88 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1j88 s SER 76 N -1.26 4.68 -0.07 -1.84 1.04 -0.16 -4.82 113.70 111.28 1j88 s SER 76 Ca 0.74 1.44 -0.30 0.00 0.48 0.00 0.00 55.95 58.31 1j88 s SER 76 Cb -0.42 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 1j88 s SER 76 CO 0.49 -1.87 1.52 -1.61 0.98 0.00 0.00 173.24 172.75 1j88 s GLU 77 N -5.09 4.21 0.74 4.02 0.41 -1.26 -4.70 118.70 117.02 1j88 s GLU 77 Ca 0.60 2.03 -0.17 0.00 -0.41 0.00 0.00 54.97 57.02 1j88 s GLU 77 Cb -0.15 -3.85 -0.10 0.00 -1.78 0.00 0.00 34.13 28.25 1j88 s GLU 77 CO 0.55 -0.76 -0.05 -2.30 -0.49 0.00 0.00 175.26 172.21 1j88 n PRO 78 N 6.66 0.09 -4.13 0.39 -0.02 -1.26 -4.70 135.00 132.03 1j88 n PRO 78 Ca 0.16 0.05 -0.19 0.00 -2.02 0.00 0.00 63.50 61.49 1j88 n PRO 78 Cb 0.43 -1.34 -0.16 0.00 -0.02 0.00 0.00 33.50 32.41 1j88 n PRO 78 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j88 s VAL 79 N -1.99 0.46 -0.15 -1.45 1.01 -0.35 -4.94 120.40 113.00 1j88 s VAL 79 Ca 0.55 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 1j88 s VAL 79 Cb -0.35 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1j88 s VAL 79 CO 0.68 0.21 0.21 -0.47 0.00 0.00 0.00 175.10 175.72 1j88 s TYR 80 N 0.88 3.50 -0.10 5.22 5.04 -1.26 -0.84 117.35 129.79 1j88 s TYR 80 Ca -0.11 0.52 0.02 0.00 -2.44 0.00 0.00 57.07 55.06 1j88 s TYR 80 Cb -0.14 -2.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.97 1j88 s TYR 80 CO -0.00 0.41 -0.17 -1.17 -1.34 0.00 0.00 175.55 173.27 1j88 s LEU 81 N -0.05 2.49 -0.06 6.97 2.96 0.44 -4.89 118.68 126.54 1j88 s LEU 81 Ca 0.14 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1j88 s LEU 81 Cb -0.12 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 1j88 s LEU 81 CO 0.03 0.20 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.36 1j88 s GLU 82 N 0.16 2.13 -0.11 1.98 2.12 -1.03 -0.64 118.70 123.30 1j88 s GLU 82 Ca -0.09 -0.68 -0.05 0.00 0.36 0.00 0.00 54.97 54.51 1j88 s GLU 82 Cb -0.16 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 1j88 s GLU 82 CO 0.06 0.22 0.07 0.08 -0.54 0.00 0.00 175.26 175.15 1j88 s VAL 83 N 0.16 4.87 0.23 3.70 1.01 -1.25 -0.54 120.40 128.58 1j88 s VAL 83 Ca -0.08 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1j88 s VAL 83 Cb -0.14 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1j88 s VAL 83 CO 0.04 0.59 -0.12 -0.36 0.00 0.00 0.00 175.10 175.24 1j88 s PHE 84 N -0.74 1.84 -0.21 5.22 0.40 0.35 -4.90 117.98 119.94 1j88 s PHE 84 Ca 0.12 -0.59 -0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1j88 s PHE 84 Cb -0.12 -0.91 0.06 0.00 0.51 0.00 0.00 43.02 42.57 1j88 s PHE 84 CO 0.03 0.37 0.05 0.45 0.70 0.00 0.00 175.22 176.81 1j88 s SER 85 N -3.37 3.00 -0.08 1.36 0.15 -1.26 -0.03 113.70 113.46 1j88 s SER 85 Ca 0.25 -0.89 -0.32 0.00 0.70 0.00 0.00 55.95 55.69 1j88 s SER 85 Cb 0.00 -0.59 0.13 0.00 -1.71 0.00 0.00 66.02 63.85 1j88 s SER 85 CO 0.09 -0.32 1.25 -0.62 1.20 0.00 0.00 173.24 174.84 1j88 s ASP 86 N 1.86 -0.09 0.06 5.45 -1.08 -1.26 -5.04 116.67 116.56 1j88 s ASP 86 Ca 0.00 -0.09 -0.22 0.00 -0.52 0.00 0.00 52.55 51.73 1j88 s ASP 86 Cb -0.17 0.16 -0.14 0.00 -1.46 0.00 0.00 42.92 41.31 1j88 s ASP 86 CO -0.10 -0.28 1.51 -0.50 0.52 0.00 0.00 175.17 176.32 1j88 h TRP 87 N 2.00 0.19 -4.29 -5.34 6.55 -1.95 -3.39 115.95 109.73 1j88 h TRP 87 Ca -0.22 -0.03 -0.60 0.00 0.95 0.00 0.00 58.89 58.99 1j88 h TRP 87 Cb 1.19 -0.05 -0.27 0.00 -0.86 0.00 0.00 29.16 29.16 1j88 h TRP 87 CO 0.31 0.38 -0.85 -0.51 -1.05 0.00 0.00 178.44 176.72 1j88 s LEU 88 N -9.63 2.12 -0.05 -4.49 1.43 -1.26 -0.30 118.68 106.50 1j88 s LEU 88 Ca -0.14 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1j88 s LEU 88 Cb 0.05 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1j88 s LEU 88 CO 0.70 0.21 -0.05 -0.22 0.23 0.00 0.00 176.35 177.22 1j88 s LEU 89 N -0.92 1.32 -0.28 1.79 2.96 0.69 -4.37 118.68 119.86 1j88 s LEU 89 Ca 0.08 -0.14 -0.21 0.00 -0.22 0.00 0.00 54.13 53.64 1j88 s LEU 89 Cb -0.09 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 1j88 s LEU 89 CO 0.01 -0.05 0.67 -0.22 -1.32 0.00 0.00 176.35 175.44 1j88 s LEU 90 N 0.96 4.10 -0.05 -0.68 2.96 -1.26 -0.76 118.68 123.95 1j88 s LEU 90 Ca -0.10 0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1j88 s LEU 90 Cb -0.14 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 1j88 s LEU 90 CO -0.00 -0.47 0.07 -1.10 -1.32 0.00 0.00 176.35 173.54 1j88 s GLN 91 N 2.65 3.14 0.01 1.98 -0.21 0.11 -4.93 119.66 122.42 1j88 s GLN 91 Ca 0.27 -0.38 0.06 0.00 0.02 0.00 0.00 55.36 55.34 1j88 s GLN 91 Cb -0.15 -2.92 -0.02 0.00 1.00 0.00 0.00 33.01 30.92 1j88 s GLN 91 CO 0.10 0.69 -0.18 0.00 -2.12 0.00 0.00 175.29 173.79 1j88 s ALA 92 N -1.07 1.54 0.08 6.09 0.00 -1.26 -0.52 121.76 126.62 1j88 s ALA 92 Ca 0.18 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 1j88 s ALA 92 Cb -0.12 -0.34 -0.16 0.00 0.00 0.00 0.00 23.12 22.50 1j88 s ALA 92 CO 0.08 0.36 1.66 0.66 0.00 0.00 0.00 175.76 178.52 1j88 h SER 93 N 5.32 -0.59 -4.32 0.00 4.64 -1.33 -3.38 113.55 113.90 1j88 h SER 93 Ca -0.39 0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 60.73 1j88 h SER 93 Cb 1.16 0.17 -0.25 0.00 -0.31 0.00 0.00 62.40 63.17 1j88 h SER 93 CO 0.46 -0.39 -0.72 0.00 -0.87 0.00 0.00 176.83 175.31 1j88 s ALA 94 N -6.09 0.17 -0.40 5.18 0.00 -1.26 -4.74 121.76 114.62 1j88 s ALA 94 Ca -0.16 -0.33 0.23 0.00 0.00 0.00 0.00 51.96 51.70 1j88 s ALA 94 Cb 0.05 0.04 0.19 0.00 0.00 0.00 0.00 23.12 23.40 1j88 s ALA 94 CO 0.63 -0.05 1.26 0.93 0.00 0.00 0.00 175.76 178.54 1j88 h GLU 95 N 5.40 0.00 -4.59 0.00 5.08 -1.92 -3.46 114.58 115.10 1j88 h GLU 95 Ca -0.29 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.64 1j88 h GLU 95 Cb 1.21 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.15 1j88 h GLU 95 CO 0.46 0.00 -0.79 0.08 -1.00 0.00 0.00 179.01 177.76 1j88 s VAL 96 N -3.27 0.81 0.02 3.13 1.01 -1.26 -1.96 120.40 118.88 1j88 s VAL 96 Ca 0.03 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1j88 s VAL 96 Cb 0.10 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 1j88 s VAL 96 CO 0.74 0.26 0.12 -0.69 0.00 0.00 0.00 175.10 175.53 1j88 s VAL 97 N 0.25 0.10 0.01 2.92 1.01 0.47 -4.99 120.40 120.17 1j88 s VAL 97 Ca -0.04 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1j88 s VAL 97 Cb -0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1j88 s VAL 97 CO 0.01 -0.47 0.97 -0.04 0.00 0.00 0.00 175.10 175.57 1j88 s MET 98 N -1.86 4.57 0.01 2.72 -1.94 -1.26 0.26 119.30 121.80 1j88 s MET 98 Ca -0.11 1.40 -0.39 0.00 -1.71 0.00 0.00 55.69 54.88 1j88 s MET 98 Cb -0.05 -3.45 -0.19 0.00 2.01 0.00 0.00 34.83 33.15 1j88 s MET 98 CO -0.01 -0.01 1.22 -1.91 -0.01 0.00 0.00 175.02 174.30 1j88 n GLU 99 N 3.73 0.49 0.00 2.03 2.13 0.20 -1.53 120.64 127.69 1j88 n GLU 99 Ca 0.05 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1j88 n GLU 99 Cb 0.51 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1j88 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j88 n GLY 100 N 2.08 2.62 3.94 8.31 0.00 -0.41 -4.92 105.19 116.79 1j88 n GLY 100 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1j88 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j88 s GLN 101 N -0.70 2.01 0.40 1.61 -1.52 -0.58 -4.08 119.66 116.79 1j88 s GLN 101 Ca 0.00 -0.36 -0.14 0.00 -1.95 0.00 0.00 55.36 52.91 1j88 s GLN 101 Cb 0.00 -2.16 -0.08 0.00 -0.22 0.00 0.00 33.01 30.55 1j88 s GLN 101 CO 0.00 -1.36 0.80 -1.25 -0.25 0.00 0.00 175.29 173.23 1j88 s PRO 102 N -5.29 3.91 -0.03 2.91 0.04 -0.91 -1.85 135.00 133.78 1j88 s PRO 102 Ca 0.62 0.65 -0.00 0.00 0.04 0.00 0.00 61.00 62.31 1j88 s PRO 102 Cb -0.10 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.12 1j88 s PRO 102 CO 0.45 -0.01 0.02 -1.17 0.04 0.00 0.00 177.00 176.33 1j88 s LEU 103 N -3.55 0.92 -0.11 -3.56 2.96 0.19 -4.92 118.68 110.61 1j88 s LEU 103 Ca 0.54 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1j88 s LEU 103 Cb -0.10 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.40 1j88 s LEU 103 CO 0.25 -0.14 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.59 1j88 s PHE 104 N 1.32 2.35 0.03 5.38 0.40 -1.26 -1.13 117.98 125.07 1j88 s PHE 104 Ca -0.06 -1.09 0.06 0.00 -0.60 0.00 0.00 56.93 55.24 1j88 s PHE 104 Cb -0.13 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 1j88 s PHE 104 CO -0.03 -0.50 -0.15 -0.51 0.70 0.00 0.00 175.22 174.74 1j88 s LEU 105 N 0.73 2.76 -0.03 -0.37 1.43 -0.73 -0.88 118.68 121.59 1j88 s LEU 105 Ca -0.11 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1j88 s LEU 105 Cb -0.16 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1j88 s LEU 105 CO 0.01 0.27 0.05 -0.60 0.23 0.00 0.00 176.35 176.31 1j88 s ARG 106 N -1.41 -0.03 -0.48 1.70 3.52 0.32 -3.08 118.95 119.50 1j88 s ARG 106 Ca 0.15 0.25 -0.22 0.00 -0.13 0.00 0.00 55.73 55.78 1j88 s ARG 106 Cb -0.11 -0.28 0.03 0.00 -1.56 0.00 0.00 34.95 33.04 1j88 s ARG 106 CO 0.06 -0.20 0.76 0.00 -0.81 0.00 0.00 175.30 175.11 1j88 s HIS 108 N 3.23 3.26 0.20 0.00 2.46 0.06 -4.96 115.29 119.55 1j88 s HIS 108 Ca 0.26 0.08 -0.07 0.00 0.47 0.00 0.00 55.06 55.80 1j88 s HIS 108 Cb -0.14 -2.13 -0.06 0.00 -0.13 0.00 0.00 32.58 30.13 1j88 s HIS 108 CO 0.20 0.11 0.47 0.20 -2.47 0.00 0.00 174.74 173.25 1j88 s GLY 109 N 0.57 2.19 0.73 1.59 0.00 -1.26 -0.22 107.32 110.91 1j88 s GLY 109 Ca 0.04 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.16 1j88 s GLY 109 CO 0.01 -0.35 1.05 1.87 0.00 0.00 0.00 173.10 175.68 1j88 n TRP 110 N -0.17 0.92 -1.05 1.90 -0.00 0.59 -2.03 117.44 117.59 1j88 n TRP 110 Ca -0.01 0.40 -0.05 0.00 -0.00 0.00 0.00 57.50 57.84 1j88 n TRP 110 Cb 0.52 -2.10 -0.02 0.00 -0.00 0.00 0.00 31.31 29.71 1j88 n TRP 110 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1j88 n ARG 111 N -2.16 -1.20 -1.68 5.87 1.74 -1.26 0.22 116.66 118.18 1j88 n ARG 111 Ca 0.13 0.28 -0.14 0.00 -0.77 0.00 0.00 57.85 57.36 1j88 n ARG 111 Cb 0.49 -4.26 -0.04 0.00 -1.02 0.00 0.00 32.46 27.63 1j88 n ARG 111 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1j88 n ASN 112 N 0.59 -4.53 -2.94 0.55 2.85 -0.86 -4.99 115.26 105.92 1j88 n ASN 112 Ca -0.05 0.23 -0.04 0.00 -0.11 0.00 0.00 54.58 54.61 1j88 n ASN 112 Cb 0.16 -3.39 0.03 0.00 1.24 0.00 0.00 39.78 37.83 1j88 n ASN 112 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1j88 n TRP 113 N -3.06 -2.40 -4.28 1.20 8.01 0.13 -4.97 117.44 112.08 1j88 n TRP 113 Ca -0.15 -0.10 -0.33 0.00 -1.31 0.00 0.00 57.50 55.61 1j88 n TRP 113 Cb 0.51 -0.15 -0.09 0.00 -2.01 0.00 0.00 31.31 29.57 1j88 n TRP 113 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1j88 s ASP 114 N -2.08 5.22 0.06 -0.99 1.01 -1.26 -4.69 116.67 113.94 1j88 s ASP 114 Ca 0.08 0.05 0.09 0.00 0.71 0.00 0.00 52.55 53.48 1j88 s ASP 114 Cb -0.01 -1.41 -0.03 0.00 1.01 0.00 0.00 42.92 42.48 1j88 s ASP 114 CO 0.07 0.30 -0.24 -0.69 0.21 0.00 0.00 175.17 174.82 1j88 s VAL 115 N -1.05 1.96 0.26 -1.27 1.01 -1.26 -4.51 120.40 115.54 1j88 s VAL 115 Ca 0.18 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.84 1j88 s VAL 115 Cb -0.12 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1j88 s VAL 115 CO 0.09 0.26 -0.01 -0.31 0.00 0.00 0.00 175.10 175.13 1j88 s TYR 116 N -0.85 1.76 -1.22 5.22 1.51 -0.44 -3.10 117.35 120.23 1j88 s TYR 116 Ca 0.10 -0.87 -0.15 0.00 -1.01 0.00 0.00 57.07 55.15 1j88 s TYR 116 Cb -0.10 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.71 1j88 s TYR 116 CO 0.02 0.06 0.68 1.63 -1.11 0.00 0.00 175.55 176.84 1j88 n LYS 117 N -0.52 -1.92 -3.16 -0.62 5.02 0.36 -0.63 118.16 116.69 1j88 n LYS 117 Ca -0.05 0.43 -0.39 0.00 -2.02 0.00 0.00 58.31 56.29 1j88 n LYS 117 Cb 0.64 -4.20 -0.06 0.00 -0.02 0.00 0.00 35.03 31.39 1j88 n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j88 s VAL 118 N -3.61 4.66 -0.04 -0.18 1.01 0.26 -4.22 120.40 118.27 1j88 s VAL 118 Ca 0.32 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.69 1j88 s VAL 118 Cb -0.12 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1j88 s VAL 118 CO 0.87 0.51 0.02 -0.63 0.00 0.00 0.00 175.10 175.88 1j88 s ILE 119 N -0.91 0.09 0.02 2.22 1.01 -0.20 -1.19 121.20 122.24 1j88 s ILE 119 Ca 0.32 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.04 1j88 s ILE 119 Cb -0.20 -0.26 -0.06 0.00 0.01 0.00 0.00 42.46 41.95 1j88 s ILE 119 CO 0.21 0.17 0.44 -0.31 0.00 0.00 0.00 174.94 175.46 1j88 s TYR 120 N 1.60 3.73 -0.00 3.97 1.51 -0.89 -0.87 117.35 126.40 1j88 s TYR 120 Ca -0.02 1.03 0.08 0.00 -1.01 0.00 0.00 57.07 57.16 1j88 s TYR 120 Cb -0.13 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.38 1j88 s TYR 120 CO -0.03 0.62 -0.25 0.71 -1.11 0.00 0.00 175.55 175.49 1j88 s TYR 121 N -1.12 2.22 -0.18 2.71 1.51 0.26 -1.16 117.35 121.59 1j88 s TYR 121 Ca 0.26 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1j88 s TYR 121 Cb -0.17 -1.40 0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1j88 s TYR 121 CO 0.15 0.00 -0.06 0.21 -1.11 0.00 0.00 175.55 174.74 1j88 s LYS 122 N -0.75 1.53 -1.31 -0.62 2.20 -0.56 -2.07 119.74 118.17 1j88 s LYS 122 Ca 0.10 -0.61 -0.06 0.00 -0.36 0.00 0.00 55.97 55.04 1j88 s LYS 122 Cb -0.10 -2.13 0.01 0.00 -1.51 0.00 0.00 37.83 34.10 1j88 s LYS 122 CO -0.00 -0.45 1.12 -0.25 -0.36 0.00 0.00 175.35 175.41 1j88 n ASP 123 N 4.83 -4.94 0.00 1.43 8.00 -0.30 -2.09 116.55 123.48 1j88 n ASP 123 Ca -0.12 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1j88 n ASP 123 Cb 0.47 -5.05 0.00 0.00 -0.02 0.00 0.00 41.12 36.52 1j88 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j88 n GLY 124 N -1.73 1.78 3.87 0.44 0.00 -1.26 -5.00 105.19 103.29 1j88 n GLY 124 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1j88 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j88 s GLU 125 N -0.08 3.69 0.60 1.61 0.41 -0.89 -5.07 118.70 118.98 1j88 s GLU 125 Ca 0.00 0.10 -0.18 0.00 -0.41 0.00 0.00 54.97 54.48 1j88 s GLU 125 Cb 0.00 -3.10 -0.03 0.00 -1.78 0.00 0.00 34.13 29.22 1j88 s GLU 125 CO 0.00 0.65 1.20 0.00 -0.49 0.00 0.00 175.26 176.62 1j88 s ALA 126 N -1.24 2.51 0.09 5.21 0.00 -1.26 -1.49 121.76 125.58 1j88 s ALA 126 Ca 0.27 0.98 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1j88 s ALA 126 Cb -0.14 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1j88 s ALA 126 CO 0.14 -1.21 0.00 -0.11 0.00 0.00 0.00 175.76 174.58 1j88 n LEU 127 N -1.69 0.21 -3.97 0.00 7.94 -0.31 -4.77 117.00 114.41 1j88 n LEU 127 Ca 0.13 0.15 -0.09 0.00 -1.11 0.00 0.00 56.01 55.10 1j88 n LEU 127 Cb 0.50 0.03 -0.11 0.00 0.53 0.00 0.00 43.42 44.37 1j88 n LEU 127 CO 0.45 -0.50 -0.32 -0.54 -1.11 0.00 0.00 177.39 175.37 1j88 s LYS 128 N -2.00 0.38 -0.03 1.96 -0.14 -1.24 -4.98 119.74 113.69 1j88 s LYS 128 Ca 0.00 -0.63 -0.02 0.00 -1.36 0.00 0.00 55.97 53.96 1j88 s LYS 128 Cb 0.00 0.14 0.02 0.00 -1.68 0.00 0.00 37.83 36.31 1j88 s LYS 128 CO 0.00 -0.07 0.08 -0.47 -0.76 0.00 0.00 175.35 174.12 1j88 s TYR 129 N -1.71 -0.07 0.05 3.18 5.04 -1.26 -2.10 117.35 120.48 1j88 s TYR 129 Ca -0.13 0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 54.72 1j88 s TYR 129 Cb -0.08 -0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.12 1j88 s TYR 129 CO -0.01 -0.08 -0.01 -1.58 -1.34 0.00 0.00 175.55 172.52 1j88 s TRP 130 N 0.63 0.45 0.00 4.97 0.52 -0.33 -5.00 118.94 120.17 1j88 s TRP 130 Ca -0.05 -0.94 0.00 0.00 0.02 0.00 0.00 56.10 55.13 1j88 s TRP 130 Cb -0.07 -0.33 0.00 0.00 -1.15 0.00 0.00 33.47 31.92 1j88 s TRP 130 CO -0.02 -0.37 0.00 0.98 0.02 0.00 0.00 176.95 177.56 1j88 n TYR 131 N 0.30 0.00 -2.39 -1.98 9.36 -1.26 -0.58 117.16 120.61 1j88 n TYR 131 Ca -0.15 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.65 1j88 n TYR 131 Cb 0.60 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.28 1j88 n TYR 131 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1j88 s GLU 132 N 0.00 4.48 0.93 2.98 0.41 -1.26 -0.49 118.70 125.74 1j88 s GLU 132 Ca 0.00 1.84 -0.12 0.00 -0.41 0.00 0.00 54.97 56.29 1j88 s GLU 132 Cb 0.00 -3.27 0.15 0.00 -1.78 0.00 0.00 34.13 29.22 1j88 s GLU 132 CO 0.00 -0.14 1.09 0.54 -0.49 0.00 0.00 175.26 176.26 1j88 s ASN 133 N 0.41 3.17 0.31 -0.19 4.22 -1.18 -4.93 114.94 116.75 1j88 s ASN 133 Ca 0.55 1.51 0.04 0.00 -2.14 0.00 0.00 52.86 52.82 1j88 s ASN 133 Cb -0.32 -2.18 -0.02 0.00 1.28 0.00 0.00 41.25 40.01 1j88 s ASN 133 CO 0.34 -2.83 0.30 -2.28 -2.04 0.00 0.00 177.10 170.59 1j88 s HIS 134 N -2.88 1.50 -0.49 1.54 2.46 -1.26 -5.10 115.29 111.06 1j88 s HIS 134 Ca 0.64 -1.53 0.04 0.00 0.47 0.00 0.00 55.06 54.68 1j88 s HIS 134 Cb -0.19 -0.55 0.13 0.00 -0.13 0.00 0.00 32.58 31.84 1j88 s HIS 134 CO 0.58 -0.89 0.23 0.54 -2.47 0.00 0.00 174.74 172.72 1j88 s ASN 135 N -3.31 4.32 -0.45 9.88 2.20 -1.26 -4.51 114.94 121.81 1j88 s ASN 135 Ca 0.38 -2.85 -0.42 0.00 -0.94 0.00 0.00 52.86 49.03 1j88 s ASN 135 Cb 0.02 -1.58 -0.18 0.00 -2.00 0.00 0.00 41.25 37.52 1j88 s ASN 135 CO 0.23 -0.26 1.49 0.00 -2.94 0.00 0.00 177.10 175.63 1j88 n ILE 136 N 3.32 0.00 -5.12 0.54 3.06 -1.18 -4.75 119.36 115.24 1j88 n ILE 136 Ca 0.05 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 60.00 1j88 n ILE 136 Cb 0.34 -0.45 -0.15 0.00 0.54 0.00 0.00 39.64 39.91 1j88 n ILE 136 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1j88 s SER 137 N 2.97 3.01 -0.07 9.51 0.15 -1.26 -1.77 113.70 126.24 1j88 s SER 137 Ca 0.96 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.11 1j88 s SER 137 Cb -1.35 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 62.67 1j88 s SER 137 CO 0.72 0.29 -0.07 -0.63 1.20 0.00 0.00 173.24 174.75 1j88 s ILE 138 N -0.68 0.77 0.00 6.45 1.01 -0.28 -5.02 121.20 123.46 1j88 s ILE 138 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1j88 s ILE 138 Cb -0.10 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 41.59 1j88 s ILE 138 CO 0.00 0.29 0.00 0.35 0.00 0.00 0.00 174.94 175.58 1j88 n THR 139 N 4.28 0.00 -3.33 2.92 -2.24 -1.26 -0.64 114.28 114.02 1j88 n THR 139 Ca -0.20 0.33 -0.39 0.00 -2.27 0.00 0.00 64.05 61.52 1j88 n THR 139 Cb 0.51 -1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 67.62 1j88 n THR 139 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j88 s ASN 140 N -2.40 6.35 -0.34 3.42 2.47 -1.26 -2.15 114.94 121.02 1j88 s ASN 140 Ca 0.00 0.41 -0.19 0.00 0.42 0.00 0.00 52.86 53.50 1j88 s ASN 140 Cb 0.00 -2.24 -0.00 0.00 -1.45 0.00 0.00 41.25 37.55 1j88 s ASN 140 CO 0.00 -0.21 0.55 0.00 -3.72 0.00 0.00 177.10 173.71 1j88 s ALA 141 N 2.09 3.48 0.99 1.71 0.00 -0.77 -4.89 121.76 124.37 1j88 s ALA 141 Ca 0.18 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 1j88 s ALA 141 Cb -0.16 -3.05 0.19 0.00 0.00 0.00 0.00 23.12 20.10 1j88 s ALA 141 CO 0.09 -1.21 1.18 0.99 0.00 0.00 0.00 175.76 176.81 1j88 s THR 142 N 2.47 1.90 -0.87 0.00 2.01 -1.26 -1.29 115.64 118.60 1j88 s THR 142 Ca 0.20 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.45 1j88 s THR 142 Cb -0.15 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1j88 s THR 142 CO 0.13 0.00 1.28 0.55 -0.69 0.00 0.00 174.62 175.89 1j88 n VAL 143 N -3.99 0.09 0.72 3.82 3.14 -1.26 -3.46 118.33 117.39 1j88 n VAL 143 Ca 0.11 -0.09 0.13 0.00 -2.96 0.00 0.00 64.34 61.53 1j88 n VAL 143 Cb 0.59 0.25 0.48 0.00 -1.06 0.00 0.00 33.84 34.11 1j88 n VAL 143 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1j88 n GLU 144 N -1.68 0.14 0.00 1.45 4.71 -1.26 -3.05 120.64 120.96 1j88 n GLU 144 Ca 0.04 0.16 0.12 0.00 -0.01 0.00 0.00 57.16 57.47 1j88 n GLU 144 Cb 0.37 -1.68 0.52 0.00 -1.01 0.00 0.00 31.44 29.64 1j88 n GLU 144 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1j88 n ASP 145 N -1.93 0.00 -4.75 1.62 8.00 -1.22 -4.81 116.55 113.45 1j88 n ASP 145 Ca 0.06 0.44 -0.32 0.00 0.71 0.00 0.00 54.79 55.67 1j88 n ASP 145 Cb 0.36 -0.48 0.08 0.00 -0.02 0.00 0.00 41.12 41.06 1j88 n ASP 145 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1j88 s SER 146 N -2.95 4.56 0.00 -2.24 0.01 -1.17 -4.92 113.70 106.98 1j88 s SER 146 Ca 0.13 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.40 1j88 s SER 146 Cb 0.16 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1j88 s SER 146 CO 0.43 -2.00 0.00 0.61 0.41 0.00 0.00 173.24 172.69 1j88 n GLY 147 N -0.54 0.10 2.94 3.44 0.00 0.15 -5.00 105.19 106.27 1j88 n GLY 147 Ca 0.11 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 1j88 n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j88 s THR 148 N -3.47 1.16 0.36 2.61 -4.23 -1.26 0.19 115.64 111.00 1j88 s THR 148 Ca 0.00 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1j88 s THR 148 Cb 0.00 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 1j88 s THR 148 CO 0.00 0.39 0.34 -0.31 -0.54 0.00 0.00 174.62 174.49 1j88 s TYR 149 N 1.61 2.86 -0.22 3.99 1.51 -0.04 -1.15 117.35 125.92 1j88 s TYR 149 Ca 0.04 -0.35 -0.32 0.00 -1.01 0.00 0.00 57.07 55.43 1j88 s TYR 149 Cb -0.13 -1.93 0.16 0.00 -0.11 0.00 0.00 41.96 39.95 1j88 s TYR 149 CO -0.08 0.07 1.22 1.52 -1.11 0.00 0.00 175.55 177.17 1j88 s TYR 150 N -2.34 -0.14 0.15 2.71 -0.85 -0.88 0.58 117.35 116.58 1j88 s TYR 150 Ca 0.44 0.18 0.07 0.00 -0.52 0.00 0.00 57.07 57.24 1j88 s TYR 150 Cb -0.05 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.74 1j88 s TYR 150 CO 0.27 -0.17 -0.15 0.00 -1.52 0.00 0.00 175.55 173.99 1j88 s THR 152 N -2.41 1.81 0.08 0.00 -4.23 -0.05 -1.75 115.64 109.10 1j88 s THR 152 Ca 0.14 -1.65 -0.27 0.00 -1.18 0.00 0.00 61.69 58.73 1j88 s THR 152 Cb -0.03 -1.68 0.08 0.00 1.34 0.00 0.00 72.50 72.21 1j88 s THR 152 CO 0.04 -0.09 0.99 -0.83 -0.54 0.00 0.00 174.62 174.20 1j88 s GLY 153 N -2.08 -0.32 -0.19 3.99 0.00 -0.73 -1.03 107.32 106.96 1j88 s GLY 153 Ca 0.09 0.48 -0.06 0.00 0.00 0.00 0.00 44.72 45.23 1j88 s GLY 153 CO 0.05 0.12 0.03 0.54 0.00 0.00 0.00 173.10 173.85 1j88 s LYS 154 N -3.10 3.81 -0.12 2.90 1.02 0.19 -0.71 119.74 123.74 1j88 s LYS 154 Ca 0.11 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1j88 s LYS 154 Cb -0.00 -3.15 -0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1j88 s LYS 154 CO -0.02 0.16 -0.21 0.08 -0.92 0.00 0.00 175.35 174.45 1j88 s VAL 155 N 0.64 2.28 0.00 3.17 1.01 -0.04 -1.32 120.40 126.14 1j88 s VAL 155 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1j88 s VAL 155 Cb -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1j88 s VAL 155 CO 0.02 0.55 0.00 0.79 0.00 0.00 0.00 175.10 176.46 1j88 n TRP 156 N 3.72 0.00 -1.43 5.22 5.03 -1.26 -1.10 117.44 127.61 1j88 n TRP 156 Ca -0.19 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.34 1j88 n TRP 156 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.80 1j88 n TRP 156 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 1j88 n GLN 157 N 0.00 0.00 -4.40 -0.99 1.13 -1.26 -5.08 117.38 106.77 1j88 n GLN 157 Ca 0.00 -0.49 -0.26 0.00 -1.94 0.00 0.00 57.00 54.31 1j88 n GLN 157 Cb 0.00 -0.39 -0.12 0.00 0.11 0.00 0.00 30.24 29.85 1j88 n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1j88 s LEU 158 N 0.00 2.44 0.10 1.08 1.43 -0.26 -5.12 118.68 118.34 1j88 s LEU 158 Ca 0.00 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 1j88 s LEU 158 Cb 0.00 -1.08 -0.07 0.00 0.03 0.00 0.00 46.19 45.07 1j88 s LEU 158 CO 0.00 0.08 0.53 -1.81 0.23 0.00 0.00 176.35 175.39 1j88 s ASP 159 N -2.68 6.91 0.01 2.29 1.01 -1.26 -0.86 116.67 122.09 1j88 s ASP 159 Ca 0.20 1.13 -0.01 0.00 0.71 0.00 0.00 52.55 54.57 1j88 s ASP 159 Cb -0.07 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 1j88 s ASP 159 CO 0.09 0.20 0.01 -0.31 0.21 0.00 0.00 175.17 175.37 1j88 s TYR 160 N -1.27 0.16 -0.00 4.23 1.51 0.11 -4.96 117.35 117.13 1j88 s TYR 160 Ca 0.32 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 56.12 1j88 s TYR 160 Cb -0.17 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.53 1j88 s TYR 160 CO 0.18 -0.15 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.28 1j88 s GLU 161 N -1.05 2.21 0.53 -0.62 2.12 -1.26 -1.77 118.70 118.86 1j88 s GLU 161 Ca -0.12 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.34 1j88 s GLU 161 Cb -0.07 -2.22 0.03 0.00 0.26 0.00 0.00 34.13 32.13 1j88 s GLU 161 CO -0.00 0.57 0.76 -1.54 -0.54 0.00 0.00 175.26 174.50 1j88 s SER 162 N -1.05 5.39 0.31 -1.70 1.04 -0.72 -4.76 113.70 112.21 1j88 s SER 162 Ca 0.13 0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.33 1j88 s SER 162 Cb -0.10 -1.01 -0.10 0.00 0.10 0.00 0.00 66.02 64.91 1j88 s SER 162 CO 0.02 -1.06 1.15 -1.61 0.98 0.00 0.00 173.24 172.72 1j88 s GLU 163 N -4.73 4.51 0.68 4.02 0.41 -1.26 -4.71 118.70 117.62 1j88 s GLU 163 Ca 0.55 1.88 -0.14 0.00 -0.41 0.00 0.00 54.97 56.86 1j88 s GLU 163 Cb -0.10 -3.09 0.01 0.00 -1.78 0.00 0.00 34.13 29.16 1j88 s GLU 163 CO 0.38 0.07 1.09 -1.25 -0.49 0.00 0.00 175.26 175.07 1j88 s PRO 164 N -1.64 2.78 -0.08 0.39 0.04 -1.26 -4.62 135.00 130.61 1j88 s PRO 164 Ca 0.47 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 1j88 s PRO 164 Cb -0.33 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.30 1j88 s PRO 164 CO 0.43 -1.25 0.17 -1.17 0.04 0.00 0.00 177.00 175.22 1j88 s LEU 165 N -5.11 0.07 0.35 -3.56 2.96 0.20 -4.97 118.68 108.62 1j88 s LEU 165 Ca 0.64 0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 54.65 1j88 s LEU 165 Cb -0.18 0.33 -0.10 0.00 0.50 0.00 0.00 46.19 46.74 1j88 s LEU 165 CO 0.45 -0.22 0.96 0.20 -1.32 0.00 0.00 176.35 176.42 1j88 s ASN 166 N 2.06 7.22 -0.03 3.68 0.01 -1.26 -0.86 114.94 125.76 1j88 s ASN 166 Ca 0.00 1.84 -0.00 0.00 -0.71 0.00 0.00 52.86 53.99 1j88 s ASN 166 Cb -0.12 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 38.99 1j88 s ASN 166 CO -0.06 -0.15 0.02 -0.63 -1.51 0.00 0.00 177.10 174.77 1j88 s ILE 167 N -1.70 0.04 -0.03 0.60 1.01 0.13 -4.94 121.20 116.31 1j88 s ILE 167 Ca 0.53 0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.45 1j88 s ILE 167 Cb -0.18 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 1j88 s ILE 167 CO 0.23 0.13 -0.24 -0.89 0.00 0.00 0.00 174.94 174.18 1j88 s THR 168 N 1.29 2.25 -0.28 2.92 2.01 -0.83 -0.68 115.64 122.33 1j88 s THR 168 Ca -0.06 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 60.94 1j88 s THR 168 Cb -0.13 -1.80 0.07 0.00 0.01 0.00 0.00 72.50 70.65 1j88 s THR 168 CO -0.03 0.58 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.73 1j88 s VAL 169 N -0.56 2.20 0.64 3.82 1.01 -1.26 -0.40 120.40 125.84 1j88 s VAL 169 Ca 0.08 -1.83 -0.02 0.00 0.00 0.00 0.00 61.98 60.22 1j88 s VAL 169 Cb -0.11 -2.39 0.07 0.00 0.00 0.00 0.00 36.38 33.95 1j88 s VAL 169 CO -0.00 -0.19 0.90 0.27 0.00 0.00 0.00 175.10 176.08 1j88 s ILE 170 N 1.05 2.43 0.00 2.22 -4.36 0.14 -4.80 121.20 117.87 1j88 s ILE 170 Ca -0.04 -0.53 0.00 0.00 -0.26 0.00 0.00 60.65 59.82 1j88 s ILE 170 Cb -0.20 -2.89 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1j88 s ILE 170 CO -0.06 0.00 0.29 2.29 0.24 0.00 0.00 174.94 177.70