#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 3.50 -0.15 1.64 0.04 -1.26 -5.07 135.00 133.71 1j88 s PRO 5 Ca 0.00 0.73 -0.04 0.00 0.04 0.00 0.00 61.00 61.72 1j88 s PRO 5 Cb 0.00 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.54 1j88 s PRO 5 CO 0.00 -0.64 0.26 0.21 0.04 0.00 0.00 177.00 176.87 1j88 s LYS 6 N -5.19 0.16 -0.03 4.56 2.20 -1.26 -4.29 119.74 115.88 1j88 s LYS 6 Ca 0.55 0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 56.51 1j88 s LYS 6 Cb -0.11 -0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 35.91 1j88 s LYS 6 CO 0.54 -0.36 1.40 0.08 -0.36 0.00 0.00 175.35 176.64 1j88 s VAL 7 N 2.41 3.81 0.26 4.02 1.01 -1.26 -3.07 120.40 127.58 1j88 s VAL 7 Ca 0.03 1.15 0.09 0.00 0.00 0.00 0.00 61.98 63.24 1j88 s VAL 7 Cb -0.13 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1j88 s VAL 7 CO -0.09 -0.03 0.06 -0.94 0.00 0.00 0.00 175.10 174.10 1j88 s SER 8 N 2.04 4.89 0.16 3.32 1.04 -0.77 -4.98 113.70 119.40 1j88 s SER 8 Ca 0.63 -0.50 0.10 0.00 0.48 0.00 0.00 55.95 56.66 1j88 s SER 8 Cb -0.30 -1.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.74 1j88 s SER 8 CO 0.25 -0.01 -0.21 -0.76 0.98 0.00 0.00 173.24 173.49 1j88 s LEU 9 N -3.70 2.41 -0.26 2.42 1.43 -1.26 -2.09 118.68 117.62 1j88 s LEU 9 Ca 0.32 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1j88 s LEU 9 Cb -0.07 -0.97 0.15 0.00 0.03 0.00 0.00 46.19 45.34 1j88 s LEU 9 CO 0.22 0.04 0.47 0.21 0.23 0.00 0.00 176.35 177.51 1j88 s ASN 10 N -2.51 -0.41 1.01 2.29 2.47 -0.99 -3.76 114.94 113.04 1j88 s ASN 10 Ca 0.16 0.53 -0.14 0.00 0.42 0.00 0.00 52.86 53.83 1j88 s ASN 10 Cb -0.07 1.54 0.10 0.00 -1.45 0.00 0.00 41.25 41.36 1j88 s ASN 10 CO 0.07 -0.28 0.50 -2.65 -3.72 0.00 0.00 177.10 171.02 1j88 n PRO 11 N 5.39 -0.85 0.27 0.43 -0.02 -1.26 -1.92 135.00 137.04 1j88 n PRO 11 Ca -0.03 -0.21 0.15 0.00 -2.02 0.00 0.00 63.50 61.39 1j88 n PRO 11 Cb 0.50 -1.94 0.68 0.00 -0.02 0.00 0.00 33.50 32.72 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 -1.85 0.00 -6.29 0.52 0.11 -1.95 -3.45 132.00 119.09 1j88 h PRO 12 Ca -0.48 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.99 1j88 h PRO 12 Cb 1.30 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.44 1j88 h PRO 12 CO 0.38 0.08 0.97 0.91 -0.21 0.00 0.00 178.00 180.12 1j88 n TRP 13 N -3.26 2.21 -0.58 0.65 5.03 -1.26 -4.86 117.44 115.37 1j88 n TRP 13 Ca -0.00 0.19 0.08 0.00 3.03 0.00 0.00 57.50 60.80 1j88 n TRP 13 Cb 0.31 -2.58 0.28 0.00 -1.03 0.00 0.00 31.31 28.28 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 5.56 4.03 -3.74 -0.99 6.94 -1.26 -4.78 115.26 121.02 1j88 n ASN 14 Ca 0.22 -2.45 -0.27 0.00 -0.02 0.00 0.00 54.58 52.06 1j88 n ASN 14 Cb 0.25 -0.47 -0.17 0.00 -2.36 0.00 0.00 39.78 37.04 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 -1.83 0.68 0.27 -3.83 0.52 -1.26 -2.48 118.95 111.02 1j88 s ARG 15 Ca 0.41 -0.39 0.05 0.00 -0.52 0.00 0.00 55.73 55.28 1j88 s ARG 15 Cb 0.27 -2.03 -0.06 0.00 0.52 0.00 0.00 34.95 33.65 1j88 s ARG 15 CO 0.19 -0.61 -0.01 0.96 0.02 0.00 0.00 175.30 175.84 1j88 s ILE 16 N 1.86 1.30 0.53 1.52 -4.36 -0.08 -4.92 121.20 117.04 1j88 s ILE 16 Ca -0.01 -2.06 -0.12 0.00 -0.26 0.00 0.00 60.65 58.20 1j88 s ILE 16 Cb -0.17 -2.48 -0.06 0.00 1.25 0.00 0.00 42.46 41.00 1j88 s ILE 16 CO -0.08 -0.24 0.94 -0.36 0.24 0.00 0.00 174.94 175.44 1j88 s PHE 17 N -3.24 3.53 0.13 1.37 2.99 -1.26 0.11 117.98 121.61 1j88 s PHE 17 Ca 0.31 1.26 -0.31 0.00 0.00 0.00 0.00 56.93 58.19 1j88 s PHE 17 Cb 0.06 -2.65 -0.10 0.00 0.00 0.00 0.00 43.02 40.32 1j88 s PHE 17 CO 0.11 -0.43 1.72 0.21 -0.00 0.00 0.00 175.22 176.83 1j88 s LYS 18 N -4.51 4.16 0.00 0.44 2.20 0.14 -2.62 119.74 119.55 1j88 s LYS 18 Ca 0.55 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.65 1j88 s LYS 18 Cb -0.10 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1j88 s LYS 18 CO 0.41 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 1j88 n GLY 19 N 4.04 0.78 2.26 5.54 0.00 0.56 -4.84 105.19 113.54 1j88 n GLY 19 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1j88 n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j88 n GLU 20 N -2.00 -0.78 -4.44 1.61 1.02 -1.08 -3.79 120.64 111.18 1j88 n GLU 20 Ca 0.00 -1.20 -0.22 0.00 -0.02 0.00 0.00 57.16 55.72 1j88 n GLU 20 Cb 0.00 -0.81 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 1j88 n GLU 20 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1j88 s ASN 21 N -3.85 2.82 -0.05 1.62 0.01 -1.26 -1.77 114.94 112.46 1j88 s ASN 21 Ca 0.44 -1.20 -0.29 0.00 -0.71 0.00 0.00 52.86 51.10 1j88 s ASN 21 Cb -0.01 -0.18 0.09 0.00 0.41 0.00 0.00 41.25 41.56 1j88 s ASN 21 CO 0.31 -0.34 0.81 0.54 -1.51 0.00 0.00 177.10 176.91 1j88 s VAL 22 N -2.99 0.00 -0.09 1.60 0.11 -1.03 -4.72 120.40 113.27 1j88 s VAL 22 Ca 0.30 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.37 1j88 s VAL 22 Cb 0.04 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1j88 s VAL 22 CO 0.12 0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.85 1j88 s THR 23 N -1.79 1.47 -0.46 5.04 2.01 -0.81 -1.64 115.64 119.46 1j88 s THR 23 Ca -0.04 -0.65 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 1j88 s THR 23 Cb -0.00 -1.33 0.11 0.00 0.01 0.00 0.00 72.50 71.28 1j88 s THR 23 CO 0.01 0.43 0.34 -0.76 -0.69 0.00 0.00 174.62 173.95 1j88 s LEU 24 N 0.81 5.60 0.30 4.42 1.43 -0.74 -2.34 118.68 128.17 1j88 s LEU 24 Ca -0.11 -1.78 -0.25 0.00 -1.03 0.00 0.00 54.13 50.96 1j88 s LEU 24 Cb -0.16 -2.03 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 1j88 s LEU 24 CO 0.01 -0.67 0.90 -0.89 0.23 0.00 0.00 176.35 175.94 1j88 s THR 25 N 1.41 4.29 -0.58 5.49 2.01 -0.89 -2.15 115.64 125.21 1j88 s THR 25 Ca 0.05 1.71 -0.02 0.00 0.31 0.00 0.00 61.69 63.74 1j88 s THR 25 Cb -0.26 -3.97 0.30 0.00 0.01 0.00 0.00 72.50 68.58 1j88 s THR 25 CO 0.00 0.15 2.16 0.00 -0.69 0.00 0.00 174.62 176.24 1j88 s ASN 27 N -0.78 -0.34 -1.10 0.00 4.22 -1.18 -4.56 114.94 111.20 1j88 s ASN 27 Ca 0.53 0.52 -0.23 0.00 -2.14 0.00 0.00 52.86 51.53 1j88 s ASN 27 Cb 0.40 0.47 -0.08 0.00 1.28 0.00 0.00 41.25 43.33 1j88 s ASN 27 CO -0.13 -0.21 1.94 -0.83 -2.04 0.00 0.00 177.10 175.83 1j88 s GLY 28 N -0.49 0.15 -1.28 0.45 0.00 -1.18 -4.23 107.32 100.74 1j88 s GLY 28 Ca 0.02 -1.96 -0.07 0.00 0.00 0.00 0.00 44.72 42.70 1j88 s GLY 28 CO -0.04 3.55 0.64 0.70 0.00 0.00 0.00 173.10 177.95 1j88 n ASN 29 N 14.37 -2.42 -3.89 1.64 3.02 -1.26 -5.00 115.26 121.73 1j88 n ASN 29 Ca 0.43 -0.95 -0.14 0.00 -0.03 0.00 0.00 54.58 53.90 1j88 n ASN 29 Cb 0.47 -3.50 -0.14 0.00 -0.61 0.00 0.00 39.78 35.99 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 -4.04 0.22 0.00 6.41 0.01 -1.26 -5.10 114.94 111.18 1j88 s ASN 30 Ca 0.18 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1j88 s ASN 30 Cb -0.06 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.56 1j88 s ASN 30 CO 0.85 0.00 0.78 0.49 -1.51 0.00 0.00 177.10 177.72 1j88 n PHE 31 N 3.20 0.00 -3.45 2.20 3.01 -1.26 -4.87 117.46 116.30 1j88 n PHE 31 Ca -0.15 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.92 1j88 n PHE 31 Cb 0.58 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.93 1j88 n PHE 31 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1j88 s PHE 32 N -1.75 3.23 -0.30 1.38 0.08 -1.26 -5.05 117.98 114.31 1j88 s PHE 32 Ca 0.00 0.20 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 1j88 s PHE 32 Cb 0.00 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 1j88 s PHE 32 CO 0.00 -0.27 0.21 -1.21 -0.10 0.00 0.00 175.22 173.84 1j88 s GLU 33 N 1.97 3.79 0.54 0.44 8.01 -1.26 -5.04 118.70 127.16 1j88 s GLU 33 Ca 0.12 -0.43 0.02 0.00 0.01 0.00 0.00 54.97 54.69 1j88 s GLU 33 Cb -0.16 -3.71 0.02 0.00 -4.31 0.00 0.00 34.13 25.97 1j88 s GLU 33 CO 0.11 -0.27 0.19 0.28 0.01 0.00 0.00 175.26 175.57 1j88 n VAL 34 N 5.07 0.00 -2.77 2.63 0.31 -1.26 -5.03 118.33 117.29 1j88 n VAL 34 Ca -0.14 -2.36 -0.20 0.00 -0.01 0.00 0.00 64.34 61.64 1j88 n VAL 34 Cb 0.51 0.27 0.03 0.00 -0.91 0.00 0.00 33.84 33.74 1j88 n VAL 34 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1j88 s SER 35 N -4.06 5.37 -1.26 4.52 1.04 -1.26 -4.35 113.70 113.70 1j88 s SER 35 Ca 0.14 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.33 1j88 s SER 35 Cb -0.01 -0.74 -0.01 0.00 0.10 0.00 0.00 66.02 65.36 1j88 s SER 35 CO 0.09 -1.05 0.70 -1.54 0.98 0.00 0.00 173.24 172.42 1j88 n SER 36 N -2.20 -2.60 -4.96 7.02 3.41 -1.26 -4.77 113.62 108.26 1j88 n SER 36 Ca 0.08 -0.90 -0.23 0.00 -0.26 0.00 0.00 58.87 57.57 1j88 n SER 36 Cb 0.60 -3.81 -0.02 0.00 -0.26 0.00 0.00 64.21 60.71 1j88 n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j88 s THR 37 N -3.64 5.27 0.01 6.66 2.01 -1.23 -3.46 115.64 121.25 1j88 s THR 37 Ca 0.17 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1j88 s THR 37 Cb -0.05 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1j88 s THR 37 CO 0.83 -0.28 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.83 1j88 s LYS 38 N -3.79 0.80 -0.07 4.92 1.02 -0.14 -4.63 119.74 117.84 1j88 s LYS 38 Ca 0.35 -0.52 0.02 0.00 0.02 0.00 0.00 55.97 55.84 1j88 s LYS 38 Cb -0.10 -0.76 0.01 0.00 -0.52 0.00 0.00 37.83 36.47 1j88 s LYS 38 CO 0.29 0.20 -0.14 -1.58 -0.92 0.00 0.00 175.35 173.20 1j88 s TRP 39 N -0.56 1.65 -0.36 3.18 0.52 -1.26 -2.28 118.94 119.84 1j88 s TRP 39 Ca 0.01 -0.64 0.03 0.00 0.02 0.00 0.00 56.10 55.53 1j88 s TRP 39 Cb -0.06 -1.19 0.10 0.00 -1.15 0.00 0.00 33.47 31.18 1j88 s TRP 39 CO 0.00 -0.31 0.08 -0.06 0.02 0.00 0.00 176.95 176.68 1j88 s PHE 40 N 0.66 3.43 -0.43 -1.98 0.40 -0.26 0.12 117.98 119.92 1j88 s PHE 40 Ca -0.14 -2.87 -0.23 0.00 -0.60 0.00 0.00 56.93 53.08 1j88 s PHE 40 Cb -0.16 -2.75 0.02 0.00 0.51 0.00 0.00 43.02 40.64 1j88 s PHE 40 CO 0.04 -0.92 0.80 -1.58 0.70 0.00 0.00 175.22 174.26 1j88 s HIS 41 N 0.84 3.01 -1.39 0.36 2.46 -0.74 -3.28 115.29 116.54 1j88 s HIS 41 Ca 0.12 0.27 -0.05 0.00 0.47 0.00 0.00 55.06 55.86 1j88 s HIS 41 Cb -0.20 -3.65 0.01 0.00 -0.13 0.00 0.00 32.58 28.61 1j88 s HIS 41 CO -0.09 -0.95 0.68 0.09 -2.47 0.00 0.00 174.74 172.00 1j88 n ASN 42 N 6.71 -5.84 0.00 9.88 4.13 0.42 -2.66 115.26 127.90 1j88 n ASN 42 Ca 0.03 -0.31 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1j88 n ASN 42 Cb 0.48 -4.62 0.00 0.00 -1.54 0.00 0.00 39.78 34.10 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 -1.56 2.05 3.72 7.41 0.00 -1.25 -4.98 105.19 110.57 1j88 n GLY 43 Ca -0.08 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 0.12 6.92 0.40 1.61 0.01 -1.09 -4.89 113.70 116.79 1j88 s SER 44 Ca 0.00 2.22 -0.27 0.00 1.31 0.00 0.00 55.95 59.21 1j88 s SER 44 Cb 0.00 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1j88 s SER 44 CO 0.00 -0.58 1.45 -0.22 0.41 0.00 0.00 173.24 174.31 1j88 s LEU 45 N 1.00 4.25 0.47 2.44 2.96 -1.26 -1.80 118.68 126.73 1j88 s LEU 45 Ca 0.62 2.98 0.01 0.00 -0.22 0.00 0.00 54.13 57.52 1j88 s LEU 45 Cb -0.34 -3.77 0.00 0.00 0.50 0.00 0.00 46.19 42.58 1j88 s LEU 45 CO 0.30 -0.97 0.68 -0.55 -1.32 0.00 0.00 176.35 174.50 1j88 s SER 46 N -0.31 5.71 0.00 3.68 0.15 0.33 -4.85 113.70 118.42 1j88 s SER 46 Ca 0.56 0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.65 1j88 s SER 46 Cb -0.45 -1.35 0.63 0.00 -1.71 0.00 0.00 66.02 63.14 1j88 s SER 46 CO 0.60 -0.79 1.49 -0.62 1.20 0.00 0.00 173.24 175.12 1j88 n GLU 47 N -2.12 0.37 -2.01 5.44 1.02 -1.26 -4.70 120.64 117.38 1j88 n GLU 47 Ca 0.03 -0.21 -0.32 0.00 -0.02 0.00 0.00 57.16 56.64 1j88 n GLU 47 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.78 3.59 0.00 3.49 2.56 -1.26 -4.98 118.70 119.32 1j88 s GLU 48 Ca 0.17 0.89 0.00 0.00 0.00 0.00 0.00 54.97 56.03 1j88 s GLU 48 Cb 0.18 -2.08 0.00 0.00 2.00 0.00 0.00 34.13 34.23 1j88 s GLU 48 CO 0.62 -0.58 0.00 0.25 -0.56 0.00 0.00 175.26 174.99 1j88 n THR 49 N -2.36 0.00 -0.99 -1.70 -2.24 -1.26 -4.54 114.28 101.19 1j88 n THR 49 Ca 0.07 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.51 1j88 n THR 49 Cb 0.54 -0.20 0.12 0.00 -2.10 0.00 0.00 70.33 68.69 1j88 n THR 49 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1j88 n ASN 50 N -0.87 -0.42 0.02 3.42 3.02 -1.26 -3.58 115.26 115.59 1j88 n ASN 50 Ca 0.00 0.49 0.10 0.00 -0.03 0.00 0.00 54.58 55.14 1j88 n ASN 50 Cb 0.10 -1.36 0.42 0.00 -0.61 0.00 0.00 39.78 38.34 1j88 n ASN 50 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1j88 n SER 51 N -2.22 0.11 -4.16 6.41 3.41 -1.26 -4.47 113.62 111.44 1j88 n SER 51 Ca 0.11 0.52 -0.35 0.00 -0.26 0.00 0.00 58.87 58.89 1j88 n SER 51 Cb 0.51 -0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 1j88 n SER 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1j88 s SER 52 N -3.21 4.85 -0.47 4.04 0.01 -1.26 -0.58 113.70 117.08 1j88 s SER 52 Ca 0.09 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 55.85 1j88 s SER 52 Cb 0.12 -1.70 0.07 0.00 0.21 0.00 0.00 66.02 64.72 1j88 s SER 52 CO 0.37 -0.27 0.42 -0.22 0.41 0.00 0.00 173.24 173.95 1j88 s LEU 53 N 1.22 5.48 0.64 2.44 2.96 -0.91 -4.95 118.68 125.57 1j88 s LEU 53 Ca -0.05 -1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 52.53 1j88 s LEU 53 Cb -0.20 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 1j88 s LEU 53 CO -0.02 -0.66 1.05 0.20 -1.32 0.00 0.00 176.35 175.59 1j88 s ASN 54 N 2.53 6.00 -0.05 3.68 0.01 -1.26 -1.79 114.94 124.06 1j88 s ASN 54 Ca 0.06 1.33 -0.02 0.00 -0.71 0.00 0.00 52.86 53.51 1j88 s ASN 54 Cb -0.23 -2.31 0.03 0.00 0.41 0.00 0.00 41.25 39.15 1j88 s ASN 54 CO 0.08 -1.00 0.08 -0.63 -1.51 0.00 0.00 177.10 174.12 1j88 s ILE 55 N -3.23 -0.14 0.03 0.60 1.01 -0.65 -4.94 121.20 113.88 1j88 s ILE 55 Ca 0.56 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.61 1j88 s ILE 55 Cb -0.11 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.18 1j88 s ILE 55 CO 0.53 0.16 0.04 0.52 0.00 0.00 0.00 174.94 176.19 1j88 n VAL 56 N 5.30 0.00 0.00 2.92 0.31 -1.26 -2.46 118.33 123.14 1j88 n VAL 56 Ca -0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1j88 n VAL 56 Cb 0.50 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 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 -2.71 0.00 -4.70 4.52 3.02 -1.24 -4.60 115.26 109.55 1j88 n ASN 57 Ca 0.01 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.12 1j88 n ASN 57 Cb 0.03 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 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 2.17 -2.49 5.41 0.00 -0.73 -4.63 120.51 120.24 1j88 n ALA 58 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 1j88 n ALA 58 Cb 0.00 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 16.89 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 0.91 1.98 0.41 0.00 1.02 -1.26 -0.32 119.74 122.48 1j88 s LYS 59 Ca 0.76 -1.06 0.26 0.00 0.02 0.00 0.00 55.97 55.95 1j88 s LYS 59 Cb -0.58 -2.19 1.36 0.00 -0.52 0.00 0.00 37.83 35.91 1j88 s LYS 59 CO 0.36 0.51 1.62 0.74 -0.92 0.00 0.00 175.35 177.66 1j88 h PHE 60 N 4.08 0.64 -0.01 3.18 0.05 -1.94 0.81 116.94 123.76 1j88 h PHE 60 Ca -0.49 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.33 1j88 h PHE 60 Cb 1.16 -0.16 -0.00 0.00 2.00 0.00 0.00 35.95 38.96 1j88 h PHE 60 CO 0.57 -0.26 0.01 0.93 -0.18 0.00 0.00 178.31 179.39 1j88 h GLU 61 N 0.10 0.00 0.00 1.51 3.07 -1.99 0.15 114.58 117.41 1j88 h GLU 61 Ca 0.82 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.68 1j88 h GLU 61 Cb 2.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.30 1j88 h GLU 61 CO -0.52 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 176.65 1j88 h ASP 62 N 0.00 0.00 -3.95 1.42 3.32 0.26 -3.43 116.42 114.04 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 0.03 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.70 1j88 h ASP 62 CO -0.00 0.00 0.68 -1.20 -1.72 0.00 0.00 179.24 177.00 1j88 n SER 63 N -2.97 3.20 0.00 6.45 7.64 0.04 -4.88 113.62 123.10 1j88 n SER 63 Ca 0.02 1.10 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1j88 n SER 63 Cb 0.37 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 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 0.62 -1.51 3.58 0.23 0.00 0.30 -4.98 105.19 103.42 1j88 n GLY 64 Ca 0.06 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.97 3.88 0.18 1.61 2.12 -1.26 -0.99 118.70 122.27 1j88 s GLU 65 Ca 0.00 -0.38 0.09 0.00 0.36 0.00 0.00 54.97 55.04 1j88 s GLU 65 Cb 0.00 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1j88 s GLU 65 CO 0.00 0.10 -0.19 0.71 -0.54 0.00 0.00 175.26 175.34 1j88 s TYR 66 N 0.86 1.90 -0.04 5.30 1.51 0.05 -0.43 117.35 126.49 1j88 s TYR 66 Ca 0.04 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 1j88 s TYR 66 Cb -0.14 -0.93 0.10 0.00 -0.11 0.00 0.00 41.96 40.88 1j88 s TYR 66 CO 0.03 0.38 0.85 -1.59 -1.11 0.00 0.00 175.55 174.10 1j88 s LYS 67 N -2.90 0.85 0.25 -0.62 -2.85 -1.21 -0.15 119.74 113.12 1j88 s LYS 67 Ca 0.18 -0.08 0.05 0.00 -1.00 0.00 0.00 55.97 55.12 1j88 s LYS 67 Cb -0.05 0.40 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1j88 s LYS 67 CO 0.08 -0.32 -0.03 0.00 0.10 0.00 0.00 175.35 175.18 1j88 s GLN 69 N -3.80 1.10 0.09 0.00 0.74 -0.96 -0.75 119.66 116.06 1j88 s GLN 69 Ca 0.29 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 55.15 1j88 s GLN 69 Cb 0.05 0.49 0.01 0.00 1.10 0.00 0.00 33.01 34.66 1j88 s GLN 69 CO 0.10 -0.43 0.05 0.72 -0.55 0.00 0.00 175.29 175.17 1j88 n HIS 70 N -0.10 -0.89 0.18 1.67 8.25 -1.26 -0.97 115.22 122.10 1j88 n HIS 70 Ca -0.17 -0.39 -0.15 0.00 -0.26 0.00 0.00 57.72 56.76 1j88 n HIS 70 Cb 0.63 -0.07 -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 -0.62 -2.21 -0.41 5.75 -1.86 -3.30 115.11 112.46 1j88 h GLN 71 Ca -0.06 0.04 -0.58 0.00 -0.15 0.00 0.00 58.65 57.90 1j88 h GLN 71 Cb 0.21 0.14 -0.42 0.00 1.07 0.00 0.00 27.48 28.48 1j88 h GLN 71 CO 0.10 -0.41 -0.69 0.94 -2.65 0.00 0.00 178.83 176.12 1j88 n GLN 72 N -5.43 2.65 -3.68 1.69 7.27 -1.26 -5.05 117.38 113.57 1j88 n GLN 72 Ca -0.09 -4.59 -0.12 0.00 0.07 0.00 0.00 57.00 52.28 1j88 n GLN 72 Cb 0.34 -2.15 -0.06 0.00 2.41 0.00 0.00 30.24 30.78 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 -3.33 0.07 -0.08 1.69 1.01 -1.25 -5.02 120.40 113.48 1j88 s VAL 73 Ca 0.44 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 1j88 s VAL 73 Cb 0.23 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1j88 s VAL 73 CO -0.08 -0.30 0.80 0.20 0.00 0.00 0.00 175.10 175.71 1j88 s ASN 74 N -2.24 7.05 0.47 3.32 -0.87 -1.26 -4.33 114.94 117.09 1j88 s ASN 74 Ca -0.03 1.28 -0.19 0.00 -1.57 0.00 0.00 52.86 52.35 1j88 s ASN 74 Cb 0.00 -2.46 -0.14 0.00 -0.02 0.00 0.00 41.25 38.63 1j88 s ASN 74 CO -0.05 -0.23 0.06 -1.84 -2.57 0.00 0.00 177.10 172.47 1j88 n GLU 75 N 4.24 0.09 -1.44 -0.60 0.28 -1.26 -4.45 120.64 117.50 1j88 n GLU 75 Ca 0.02 0.04 -0.30 0.00 -0.16 0.00 0.00 57.16 56.76 1j88 n GLU 75 Cb 0.50 -1.11 0.10 0.00 1.43 0.00 0.00 31.44 32.37 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 -1.02 4.19 -0.22 -1.84 1.04 0.07 -4.86 113.70 111.06 1j88 s SER 76 Ca 0.59 1.37 -0.29 0.00 0.48 0.00 0.00 55.95 58.10 1j88 s SER 76 Cb -0.54 -2.09 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1j88 s SER 76 CO 0.63 -2.17 1.56 -1.61 0.98 0.00 0.00 173.24 172.64 1j88 s GLU 77 N -5.08 3.86 0.74 4.02 0.41 -1.26 -4.71 118.70 116.68 1j88 s GLU 77 Ca 0.62 1.65 -0.15 0.00 -0.41 0.00 0.00 54.97 56.68 1j88 s GLU 77 Cb -0.15 -4.00 -0.13 0.00 -1.78 0.00 0.00 34.13 28.07 1j88 s GLU 77 CO 0.55 -1.21 -0.54 -2.30 -0.49 0.00 0.00 175.26 171.27 1j88 n PRO 78 N 7.53 0.00 -3.77 0.39 -0.02 -1.26 -4.71 135.00 133.16 1j88 n PRO 78 Ca 0.18 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.51 1j88 n PRO 78 Cb 0.45 -0.85 -0.16 0.00 -0.02 0.00 0.00 33.50 32.92 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 -1.70 -0.06 -0.13 -1.45 1.01 0.79 -4.92 120.40 113.94 1j88 s VAL 79 Ca 0.38 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.48 1j88 s VAL 79 Cb -0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1j88 s VAL 79 CO 0.67 0.09 0.18 -0.47 0.00 0.00 0.00 175.10 175.56 1j88 s TYR 80 N 1.09 3.55 -0.11 5.22 5.04 -1.26 -0.77 117.35 130.12 1j88 s TYR 80 Ca -0.09 0.53 0.03 0.00 -2.44 0.00 0.00 57.07 55.10 1j88 s TYR 80 Cb -0.13 -2.06 0.01 0.00 0.35 0.00 0.00 41.96 40.12 1j88 s TYR 80 CO -0.03 0.58 -0.20 -1.17 -1.34 0.00 0.00 175.55 173.38 1j88 s LEU 81 N -0.56 1.97 -0.07 6.97 2.96 -0.16 -4.88 118.68 124.90 1j88 s LEU 81 Ca 0.14 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1j88 s LEU 81 Cb -0.12 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1j88 s LEU 81 CO 0.03 0.10 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.23 1j88 s GLU 82 N 0.61 2.57 -0.13 1.98 2.12 -1.04 -0.54 118.70 124.28 1j88 s GLU 82 Ca -0.13 -0.85 -0.05 0.00 0.36 0.00 0.00 54.97 54.30 1j88 s GLU 82 Cb -0.17 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 1j88 s GLU 82 CO 0.04 0.29 0.04 0.08 -0.54 0.00 0.00 175.26 175.17 1j88 s VAL 83 N 0.04 4.66 0.29 3.70 1.01 -1.26 -0.91 120.40 127.93 1j88 s VAL 83 Ca -0.09 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1j88 s VAL 83 Cb -0.15 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 1j88 s VAL 83 CO 0.05 0.56 -0.09 -0.36 0.00 0.00 0.00 175.10 175.26 1j88 s PHE 84 N -0.44 2.05 -0.18 5.22 0.40 0.30 -4.90 117.98 120.44 1j88 s PHE 84 Ca 0.09 -0.61 -0.03 0.00 -0.60 0.00 0.00 56.93 55.78 1j88 s PHE 84 Cb -0.12 -1.13 0.06 0.00 0.51 0.00 0.00 43.02 42.34 1j88 s PHE 84 CO 0.02 0.39 0.05 0.45 0.70 0.00 0.00 175.22 176.83 1j88 s SER 85 N -3.47 2.65 -0.19 1.36 0.15 -1.26 0.26 113.70 113.20 1j88 s SER 85 Ca 0.29 -0.71 -0.35 0.00 0.70 0.00 0.00 55.95 55.88 1j88 s SER 85 Cb 0.02 -0.49 0.15 0.00 -1.71 0.00 0.00 66.02 63.99 1j88 s SER 85 CO 0.13 -0.31 1.36 -0.62 1.20 0.00 0.00 173.24 175.00 1j88 s ASP 86 N 1.94 -0.03 0.04 5.45 -1.08 -1.26 -5.04 116.67 116.68 1j88 s ASP 86 Ca 0.00 -0.02 -0.24 0.00 -0.52 0.00 0.00 52.55 51.78 1j88 s ASP 86 Cb -0.16 0.05 -0.17 0.00 -1.46 0.00 0.00 42.92 41.18 1j88 s ASP 86 CO -0.08 -0.08 1.49 -0.50 0.52 0.00 0.00 175.17 176.51 1j88 h TRP 87 N 2.00 0.06 -4.47 -5.34 6.55 -1.94 -3.39 115.95 109.41 1j88 h TRP 87 Ca -0.16 -0.01 -0.67 0.00 0.95 0.00 0.00 58.89 59.01 1j88 h TRP 87 Cb 1.16 -0.02 -0.29 0.00 -0.86 0.00 0.00 29.16 29.15 1j88 h TRP 87 CO 0.30 0.31 -0.88 -0.51 -1.05 0.00 0.00 178.44 176.61 1j88 s LEU 88 N -9.65 2.08 -0.07 -4.49 1.43 -1.26 0.31 118.68 107.04 1j88 s LEU 88 Ca -0.14 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 1j88 s LEU 88 Cb 0.04 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 45.05 1j88 s LEU 88 CO 0.68 0.28 -0.04 -0.22 0.23 0.00 0.00 176.35 177.28 1j88 s LEU 89 N -0.75 1.08 -0.20 1.79 2.96 0.68 -4.37 118.68 119.87 1j88 s LEU 89 Ca 0.10 -0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 53.61 1j88 s LEU 89 Cb -0.09 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 46.05 1j88 s LEU 89 CO -0.00 -0.11 0.79 -0.22 -1.32 0.00 0.00 176.35 175.49 1j88 s LEU 90 N 1.38 4.14 -0.02 -0.68 2.96 -1.26 -0.98 118.68 124.22 1j88 s LEU 90 Ca -0.03 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 1j88 s LEU 90 Cb -0.13 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 1j88 s LEU 90 CO -0.03 -0.41 -0.00 -1.10 -1.32 0.00 0.00 176.35 173.49 1j88 s GLN 91 N 2.30 2.82 0.02 1.98 -0.21 0.16 -4.93 119.66 121.80 1j88 s GLN 91 Ca 0.35 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 55.21 1j88 s GLN 91 Cb -0.16 -2.68 -0.02 0.00 1.00 0.00 0.00 33.01 31.15 1j88 s GLN 91 CO 0.10 0.64 -0.16 0.00 -2.12 0.00 0.00 175.29 173.75 1j88 s ALA 92 N -1.03 1.35 0.08 6.09 0.00 -1.26 -0.32 121.76 126.66 1j88 s ALA 92 Ca 0.18 -0.83 -0.36 0.00 0.00 0.00 0.00 51.96 50.96 1j88 s ALA 92 Cb -0.11 -0.27 -0.18 0.00 0.00 0.00 0.00 23.12 22.56 1j88 s ALA 92 CO 0.08 0.29 1.58 0.66 0.00 0.00 0.00 175.76 178.37 1j88 h SER 93 N 5.20 -1.21 -4.15 0.00 4.64 -1.27 -3.40 113.55 113.35 1j88 h SER 93 Ca -0.38 0.08 -0.33 0.00 -0.47 0.00 0.00 61.79 60.69 1j88 h SER 93 Cb 1.17 0.37 -0.26 0.00 -0.31 0.00 0.00 62.40 63.37 1j88 h SER 93 CO 0.45 -0.68 -0.75 0.00 -0.87 0.00 0.00 176.83 174.98 1j88 s ALA 94 N -5.94 0.54 -0.73 5.18 0.00 -1.26 -4.76 121.76 114.80 1j88 s ALA 94 Ca -0.18 -0.41 0.25 0.00 0.00 0.00 0.00 51.96 51.62 1j88 s ALA 94 Cb 0.04 -0.08 0.63 0.00 0.00 0.00 0.00 23.12 23.71 1j88 s ALA 94 CO 0.61 0.09 1.58 0.39 0.00 0.00 0.00 175.76 178.43 1j88 n GLU 95 N 2.52 0.25 -3.82 0.00 1.02 -1.26 -4.77 120.64 114.57 1j88 n GLU 95 Ca -0.16 0.14 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 1j88 n GLU 95 Cb 0.57 -1.72 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 1j88 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1j88 s VAL 96 N -3.12 -0.03 -0.00 2.62 1.01 -1.26 -2.08 120.40 117.54 1j88 s VAL 96 Ca 0.09 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 1j88 s VAL 96 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 36.38 36.45 1j88 s VAL 96 CO 0.65 0.04 0.00 -0.69 0.00 0.00 0.00 175.10 175.10 1j88 s VAL 97 N 0.50 -0.01 0.24 2.92 1.01 0.66 -4.99 120.40 120.73 1j88 s VAL 97 Ca -0.04 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 1j88 s VAL 97 Cb -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 36.38 36.21 1j88 s VAL 97 CO -0.02 0.01 1.33 -0.04 0.00 0.00 0.00 175.10 176.39 1j88 s MET 98 N 0.16 4.36 0.03 2.72 -1.94 -1.26 -1.28 119.30 122.08 1j88 s MET 98 Ca -0.01 2.14 -0.37 0.00 -1.71 0.00 0.00 55.69 55.74 1j88 s MET 98 Cb -0.02 -3.15 -0.16 0.00 2.01 0.00 0.00 34.83 33.51 1j88 s MET 98 CO -0.00 -0.26 1.45 -1.91 -0.01 0.00 0.00 175.02 174.29 1j88 n GLU 99 N 2.10 1.29 0.00 2.03 2.13 0.16 -1.67 120.64 126.68 1j88 n GLU 99 Ca 0.05 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1j88 n GLU 99 Cb 0.42 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 29.99 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 2.96 2.63 3.94 8.31 0.00 -0.26 -4.93 105.19 117.84 1j88 n GLY 100 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.63 1.75 0.39 1.61 -1.52 -0.67 -3.99 119.66 116.61 1j88 s GLN 101 Ca 0.00 -0.40 -0.12 0.00 -1.95 0.00 0.00 55.36 52.89 1j88 s GLN 101 Cb 0.00 -2.11 -0.07 0.00 -0.22 0.00 0.00 33.01 30.61 1j88 s GLN 101 CO 0.00 -1.56 0.78 -1.25 -0.25 0.00 0.00 175.29 173.01 1j88 s PRO 102 N -5.40 3.84 -0.03 2.91 0.04 -0.93 -1.37 135.00 134.07 1j88 s PRO 102 Ca 0.64 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 1j88 s PRO 102 Cb -0.08 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 32.10 1j88 s PRO 102 CO 0.47 -0.01 0.03 -1.17 0.04 0.00 0.00 177.00 176.36 1j88 s LEU 103 N -3.65 0.82 -0.13 -3.56 2.96 0.27 -4.92 118.68 110.47 1j88 s LEU 103 Ca 0.52 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 1j88 s LEU 103 Cb -0.10 -0.14 0.01 0.00 0.50 0.00 0.00 46.19 46.47 1j88 s LEU 103 CO 0.28 -0.16 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.62 1j88 s PHE 104 N 1.40 2.25 0.02 5.38 0.40 -1.26 -1.21 117.98 124.95 1j88 s PHE 104 Ca -0.05 -1.13 0.05 0.00 -0.60 0.00 0.00 56.93 55.20 1j88 s PHE 104 Cb -0.13 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1j88 s PHE 104 CO -0.03 -0.56 -0.11 -0.51 0.70 0.00 0.00 175.22 174.71 1j88 s LEU 105 N 1.02 2.96 -0.03 -0.37 1.43 -0.63 -0.73 118.68 122.34 1j88 s LEU 105 Ca -0.05 -0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1j88 s LEU 105 Cb -0.15 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1j88 s LEU 105 CO -0.04 0.27 0.02 -0.60 0.23 0.00 0.00 176.35 176.24 1j88 s ARG 106 N -1.42 0.13 -0.46 1.70 3.52 0.56 -2.72 118.95 120.26 1j88 s ARG 106 Ca 0.16 0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.69 1j88 s ARG 106 Cb -0.11 -0.41 0.03 0.00 -1.56 0.00 0.00 34.95 32.90 1j88 s ARG 106 CO 0.07 -0.18 0.79 0.00 -0.81 0.00 0.00 175.30 175.17 1j88 s HIS 108 N 3.32 3.20 0.19 0.00 2.46 -0.15 -4.96 115.29 119.35 1j88 s HIS 108 Ca 0.29 -0.02 -0.06 0.00 0.47 0.00 0.00 55.06 55.74 1j88 s HIS 108 Cb -0.13 -2.07 -0.06 0.00 -0.13 0.00 0.00 32.58 30.20 1j88 s HIS 108 CO 0.22 0.09 0.45 0.20 -2.47 0.00 0.00 174.74 173.23 1j88 s GLY 109 N 0.44 2.17 0.69 1.59 0.00 -1.26 -0.23 107.32 110.71 1j88 s GLY 109 Ca 0.02 -0.50 -0.16 0.00 0.00 0.00 0.00 44.72 44.07 1j88 s GLY 109 CO 0.01 -0.41 1.03 1.87 0.00 0.00 0.00 173.10 175.60 1j88 n TRP 110 N -0.16 0.92 -1.06 1.90 -0.00 0.15 -2.00 117.44 117.18 1j88 n TRP 110 Ca -0.02 0.41 -0.05 0.00 -0.00 0.00 0.00 57.50 57.83 1j88 n TRP 110 Cb 0.52 -2.12 -0.02 0.00 -0.00 0.00 0.00 31.31 29.69 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 -1.80 -1.25 -1.59 5.87 1.74 -1.26 0.07 116.66 118.45 1j88 n ARG 111 Ca 0.14 0.34 -0.14 0.00 -0.77 0.00 0.00 57.85 57.41 1j88 n ARG 111 Cb 0.49 -4.32 -0.05 0.00 -1.02 0.00 0.00 32.46 27.56 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 0.49 -4.62 -3.01 0.55 2.85 -0.85 -4.99 115.26 105.68 1j88 n ASN 112 Ca -0.05 0.27 -0.02 0.00 -0.11 0.00 0.00 54.58 54.67 1j88 n ASN 112 Cb 0.20 -3.45 0.02 0.00 1.24 0.00 0.00 39.78 37.78 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 -2.89 -2.10 -4.38 1.20 8.01 0.11 -4.96 117.44 112.43 1j88 n TRP 113 Ca -0.15 -0.05 -0.34 0.00 -1.31 0.00 0.00 57.50 55.66 1j88 n TRP 113 Cb 0.50 -0.07 -0.09 0.00 -2.01 0.00 0.00 31.31 29.63 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 -2.06 5.06 0.03 -0.99 1.01 -1.26 -4.70 116.67 113.75 1j88 s ASP 114 Ca 0.04 0.03 0.08 0.00 0.71 0.00 0.00 52.55 53.42 1j88 s ASP 114 Cb -0.01 -1.34 -0.03 0.00 1.01 0.00 0.00 42.92 42.56 1j88 s ASP 114 CO 0.03 0.33 -0.25 -0.69 0.21 0.00 0.00 175.17 174.80 1j88 s VAL 115 N -0.97 1.99 0.30 -1.27 1.01 -1.26 -4.51 120.40 115.69 1j88 s VAL 115 Ca 0.16 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 60.94 1j88 s VAL 115 Cb -0.11 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1j88 s VAL 115 CO 0.06 0.38 -0.02 -0.31 0.00 0.00 0.00 175.10 175.21 1j88 s TYR 116 N -0.74 1.99 -1.22 5.22 1.51 -0.73 -2.68 117.35 120.71 1j88 s TYR 116 Ca 0.10 -0.77 -0.17 0.00 -1.01 0.00 0.00 57.07 55.22 1j88 s TYR 116 Cb -0.10 -1.21 -0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1j88 s TYR 116 CO 0.01 0.22 0.69 1.63 -1.11 0.00 0.00 175.55 176.98 1j88 n LYS 117 N -0.64 -1.67 -3.21 -0.62 5.02 0.28 -0.91 118.16 116.42 1j88 n LYS 117 Ca -0.05 0.40 -0.39 0.00 -2.02 0.00 0.00 58.31 56.26 1j88 n LYS 117 Cb 0.65 -4.05 -0.06 0.00 -0.02 0.00 0.00 35.03 31.55 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 -3.60 4.76 -0.04 -0.18 1.01 0.20 -4.24 120.40 118.32 1j88 s VAL 118 Ca 0.35 1.30 -0.00 0.00 0.00 0.00 0.00 61.98 63.62 1j88 s VAL 118 Cb -0.14 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1j88 s VAL 118 CO 0.88 0.49 0.01 -0.63 0.00 0.00 0.00 175.10 175.86 1j88 s ILE 119 N -0.74 0.14 -0.04 2.22 1.01 -0.24 -1.59 121.20 121.97 1j88 s ILE 119 Ca 0.31 0.17 -0.13 0.00 0.00 0.00 0.00 60.65 61.00 1j88 s ILE 119 Cb -0.19 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 1j88 s ILE 119 CO 0.19 0.17 0.34 -0.31 0.00 0.00 0.00 174.94 175.33 1j88 s TYR 120 N 1.46 3.69 -0.02 3.97 1.51 -0.91 -0.84 117.35 126.21 1j88 s TYR 120 Ca -0.04 0.86 0.08 0.00 -1.01 0.00 0.00 57.07 56.96 1j88 s TYR 120 Cb -0.13 -2.21 -0.02 0.00 -0.11 0.00 0.00 41.96 39.50 1j88 s TYR 120 CO -0.03 0.65 -0.25 0.71 -1.11 0.00 0.00 175.55 175.52 1j88 s TYR 121 N -0.99 2.23 -0.21 2.71 1.51 0.30 -0.90 117.35 122.00 1j88 s TYR 121 Ca 0.21 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1j88 s TYR 121 Cb -0.15 -1.43 0.05 0.00 -0.11 0.00 0.00 41.96 40.32 1j88 s TYR 121 CO 0.11 -0.04 -0.05 0.21 -1.11 0.00 0.00 175.55 174.67 1j88 s LYS 122 N -0.59 1.51 -1.13 -0.62 2.20 -0.59 -1.66 119.74 118.86 1j88 s LYS 122 Ca 0.10 -0.77 -0.07 0.00 -0.36 0.00 0.00 55.97 54.86 1j88 s LYS 122 Cb -0.10 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.88 1j88 s LYS 122 CO -0.01 -0.54 0.99 -0.25 -0.36 0.00 0.00 175.35 175.18 1j88 n ASP 123 N 4.77 -5.54 0.00 1.43 8.00 -0.23 -2.46 116.55 122.52 1j88 n ASP 123 Ca -0.12 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1j88 n ASP 123 Cb 0.46 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 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 -1.75 2.39 3.86 0.44 0.00 -1.26 -5.00 105.19 103.88 1j88 n GLY 124 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.01 3.71 0.63 1.61 0.41 -1.03 -5.07 118.70 118.95 1j88 s GLU 125 Ca 0.00 0.13 -0.18 0.00 -0.41 0.00 0.00 54.97 54.52 1j88 s GLU 125 Cb 0.00 -3.11 -0.02 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 -1.23 2.44 0.06 5.21 0.00 -1.26 -1.53 121.76 125.45 1j88 s ALA 126 Ca 0.26 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1j88 s ALA 126 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1j88 s ALA 126 CO 0.14 -1.33 0.00 -0.11 0.00 0.00 0.00 175.76 174.46 1j88 n LEU 127 N -1.93 0.12 -3.97 0.00 7.94 -0.08 -4.76 117.00 114.32 1j88 n LEU 127 Ca 0.13 0.10 -0.09 0.00 -1.11 0.00 0.00 56.01 55.04 1j88 n LEU 127 Cb 0.50 0.02 -0.11 0.00 0.53 0.00 0.00 43.42 44.36 1j88 n LEU 127 CO 0.45 -0.42 -0.33 -0.54 -1.11 0.00 0.00 177.39 175.45 1j88 s LYS 128 N -2.00 0.37 -0.01 1.96 -0.14 -1.23 -4.98 119.74 113.72 1j88 s LYS 128 Ca 0.00 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 53.98 1j88 s LYS 128 Cb 0.00 0.14 0.01 0.00 -1.68 0.00 0.00 37.83 36.30 1j88 s LYS 128 CO 0.00 -0.07 -0.02 -0.47 -0.76 0.00 0.00 175.35 174.03 1j88 s TYR 129 N -1.73 0.28 0.16 3.18 5.04 -1.26 -2.14 117.35 120.89 1j88 s TYR 129 Ca -0.13 -0.04 -0.10 0.00 -2.44 0.00 0.00 57.07 54.36 1j88 s TYR 129 Cb -0.08 -0.25 -0.00 0.00 0.35 0.00 0.00 41.96 41.98 1j88 s TYR 129 CO -0.02 -0.05 0.31 -1.58 -1.34 0.00 0.00 175.55 172.88 1j88 s TRP 130 N 0.29 0.30 0.00 4.97 0.52 -0.62 -5.01 118.94 119.39 1j88 s TRP 130 Ca -0.03 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.43 1j88 s TRP 130 Cb -0.05 0.01 0.00 0.00 -1.15 0.00 0.00 33.47 32.27 1j88 s TRP 130 CO -0.01 -0.73 0.00 0.66 0.02 0.00 0.00 176.95 176.89 1j88 n TYR 131 N -0.22 0.00 -2.61 -1.98 4.01 -1.26 -0.62 117.16 114.47 1j88 n TYR 131 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.23 1j88 n TYR 131 Cb 0.63 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.54 1j88 n TYR 131 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1j88 s GLU 132 N -0.33 3.77 1.01 -0.72 0.41 -1.26 -0.56 118.70 121.02 1j88 s GLU 132 Ca 0.00 0.64 -0.22 0.00 -0.41 0.00 0.00 54.97 54.98 1j88 s GLU 132 Cb 0.00 -3.88 -0.13 0.00 -1.78 0.00 0.00 34.13 28.34 1j88 s GLU 132 CO 0.00 -1.30 -0.99 0.27 -0.49 0.00 0.00 175.26 172.75 1j88 n ASN 133 N 7.68 -3.89 -1.05 -0.19 6.94 -1.09 -4.99 115.26 118.65 1j88 n ASN 133 Ca 0.12 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 1j88 n ASN 133 Cb 0.49 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 1j88 n ASN 133 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1j88 n HIS 134 N -3.28 0.00 -3.69 -2.53 -0.00 -1.26 -5.09 115.22 99.38 1j88 n HIS 134 Ca -0.01 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.88 1j88 n HIS 134 Cb 0.66 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 30.40 1j88 n HIS 134 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1j88 s ASN 135 N -0.72 3.54 -0.42 0.26 0.01 -1.26 -4.43 114.94 111.91 1j88 s ASN 135 Ca 0.00 -2.69 -0.38 0.00 -0.71 0.00 0.00 52.86 49.08 1j88 s ASN 135 Cb 0.00 -0.99 -0.14 0.00 0.41 0.00 0.00 41.25 40.52 1j88 s ASN 135 CO 0.00 -0.25 2.19 0.00 -1.51 0.00 0.00 177.10 177.52 1j88 n ILE 136 N 3.45 0.11 -4.20 0.60 3.06 -1.10 -4.80 119.36 116.49 1j88 n ILE 136 Ca 0.11 -0.16 -0.30 0.00 -2.50 0.00 0.00 62.75 59.90 1j88 n ILE 136 Cb 0.35 -1.19 -0.09 0.00 0.54 0.00 0.00 39.64 39.25 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 6.91 4.61 -0.05 9.51 0.15 -1.26 -1.60 113.70 131.96 1j88 s SER 137 Ca 1.14 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 57.46 1j88 s SER 137 Cb -1.10 -0.96 0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1j88 s SER 137 CO 0.55 0.18 0.02 -0.63 1.20 0.00 0.00 173.24 174.56 1j88 s ILE 138 N -1.24 0.15 0.00 6.45 1.01 -0.35 -5.02 121.20 122.19 1j88 s ILE 138 Ca 0.23 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1j88 s ILE 138 Cb -0.11 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1j88 s ILE 138 CO 0.15 0.21 0.07 0.35 0.00 0.00 0.00 174.94 175.72 1j88 n THR 139 N 5.00 0.00 -3.07 2.92 -2.24 -1.26 -0.57 114.28 115.06 1j88 n THR 139 Ca -0.09 0.18 -0.40 0.00 -2.27 0.00 0.00 64.05 61.47 1j88 n THR 139 Cb 0.50 -0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 1j88 n THR 139 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j88 s ASN 140 N -1.21 7.03 -0.17 3.42 2.20 -1.26 -2.18 114.94 122.78 1j88 s ASN 140 Ca 0.00 1.24 -0.12 0.00 -0.94 0.00 0.00 52.86 53.04 1j88 s ASN 140 Cb 0.00 -2.41 -0.05 0.00 -2.00 0.00 0.00 41.25 36.79 1j88 s ASN 140 CO 0.00 -0.03 0.24 0.00 -2.94 0.00 0.00 177.10 174.37 1j88 s ALA 141 N 0.37 3.63 0.74 3.54 0.00 -0.47 -4.90 121.76 124.67 1j88 s ALA 141 Ca 0.36 -0.53 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 1j88 s ALA 141 Cb -0.18 -2.31 0.10 0.00 0.00 0.00 0.00 23.12 20.73 1j88 s ALA 141 CO 0.19 0.14 1.03 0.99 0.00 0.00 0.00 175.76 178.11 1j88 s THR 142 N 0.35 2.23 -0.94 0.00 2.01 -1.26 -1.10 115.64 116.93 1j88 s THR 142 Ca 0.14 -0.37 0.25 0.00 0.31 0.00 0.00 61.69 62.01 1j88 s THR 142 Cb -0.12 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 1j88 s THR 142 CO 0.02 0.00 1.36 0.55 -0.69 0.00 0.00 174.62 175.86 1j88 n VAL 143 N -2.97 0.05 0.97 3.82 3.14 -1.26 -3.47 118.33 118.60 1j88 n VAL 143 Ca 0.11 -0.04 0.14 0.00 -2.96 0.00 0.00 64.34 61.59 1j88 n VAL 143 Cb 0.60 0.24 0.60 0.00 -1.06 0.00 0.00 33.84 34.23 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 -1.59 0.02 0.03 1.45 4.71 -1.26 -3.03 120.64 120.96 1j88 n GLU 144 Ca 0.05 0.02 0.13 0.00 -0.01 0.00 0.00 57.16 57.35 1j88 n GLU 144 Cb 0.35 -1.52 0.53 0.00 -1.01 0.00 0.00 31.44 29.78 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 -1.55 0.20 -4.74 1.62 8.00 -1.23 -4.81 116.55 114.04 1j88 n ASP 145 Ca 0.07 0.52 -0.35 0.00 0.71 0.00 0.00 54.79 55.75 1j88 n ASP 145 Cb 0.34 -0.58 0.07 0.00 -0.02 0.00 0.00 41.12 40.93 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 -3.38 4.67 0.00 -2.24 0.01 -1.17 -4.92 113.70 106.68 1j88 s SER 146 Ca 0.12 2.31 0.00 0.00 1.31 0.00 0.00 55.95 59.69 1j88 s SER 146 Cb 0.16 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1j88 s SER 146 CO 0.50 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.82 1j88 n GLY 147 N 0.28 -1.42 3.21 3.44 0.00 -0.28 -5.01 105.19 105.41 1j88 n GLY 147 Ca 0.13 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.63 2.68 0.34 2.61 -4.23 -1.26 -0.75 115.64 112.40 1j88 s THR 148 Ca 0.00 -0.73 0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1j88 s THR 148 Cb 0.00 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1j88 s THR 148 CO 0.00 0.48 0.36 -0.31 -0.54 0.00 0.00 174.62 174.61 1j88 s TYR 149 N 1.38 2.97 -0.16 3.99 1.51 0.09 -1.07 117.35 126.06 1j88 s TYR 149 Ca 0.05 -0.28 -0.31 0.00 -1.01 0.00 0.00 57.07 55.52 1j88 s TYR 149 Cb -0.14 -1.89 0.14 0.00 -0.11 0.00 0.00 41.96 39.96 1j88 s TYR 149 CO -0.08 0.10 1.10 1.52 -1.11 0.00 0.00 175.55 177.07 1j88 s TYR 150 N -2.26 -0.24 0.16 2.71 -0.85 -0.66 0.61 117.35 116.82 1j88 s TYR 150 Ca 0.43 0.29 0.07 0.00 -0.52 0.00 0.00 57.07 57.33 1j88 s TYR 150 Cb -0.07 0.49 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 1j88 s TYR 150 CO 0.28 -0.29 -0.14 0.00 -1.52 0.00 0.00 175.55 173.88 1j88 s THR 152 N -2.56 1.71 0.07 0.00 -4.23 -0.02 -1.77 115.64 108.84 1j88 s THR 152 Ca 0.16 -1.55 -0.27 0.00 -1.18 0.00 0.00 61.69 58.85 1j88 s THR 152 Cb -0.03 -1.56 0.08 0.00 1.34 0.00 0.00 72.50 72.34 1j88 s THR 152 CO 0.05 -0.07 0.91 -0.83 -0.54 0.00 0.00 174.62 174.13 1j88 s GLY 153 N -1.93 -0.37 -0.08 3.99 0.00 -0.73 -1.07 107.32 107.12 1j88 s GLY 153 Ca 0.07 0.62 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 1j88 s GLY 153 CO 0.04 0.19 0.11 1.25 0.00 0.00 0.00 173.10 174.69 1j88 s LYS 154 N -3.22 3.28 -0.07 2.90 2.20 -0.08 -0.72 119.74 124.03 1j88 s LYS 154 Ca 0.08 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 1j88 s LYS 154 Cb -0.01 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 33.28 1j88 s LYS 154 CO -0.04 0.73 -0.12 0.08 -0.36 0.00 0.00 175.35 175.63 1j88 s VAL 155 N -1.07 1.16 0.00 4.02 1.01 0.52 -1.78 120.40 124.26 1j88 s VAL 155 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1j88 s VAL 155 Cb -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1j88 s VAL 155 CO 0.07 0.36 0.00 0.79 0.00 0.00 0.00 175.10 176.33 1j88 n TRP 156 N 3.89 0.00 -1.36 5.22 5.03 -1.26 -1.02 117.44 127.94 1j88 n TRP 156 Ca -0.22 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.31 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 -4.41 -0.99 1.13 -1.26 -5.08 117.38 106.76 1j88 n GLN 157 Ca 0.00 -0.51 -0.26 0.00 -1.94 0.00 0.00 57.00 54.30 1j88 n GLN 157 Cb 0.00 -0.41 -0.11 0.00 0.11 0.00 0.00 30.24 29.82 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 2.46 0.07 1.08 1.43 -0.19 -5.11 118.68 118.42 1j88 s LEU 158 Ca 0.00 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1j88 s LEU 158 Cb 0.00 -1.10 -0.06 0.00 0.03 0.00 0.00 46.19 45.06 1j88 s LEU 158 CO 0.00 0.08 0.50 -1.81 0.23 0.00 0.00 176.35 175.35 1j88 s ASP 159 N -2.79 6.89 0.02 2.29 1.01 -1.26 -0.35 116.67 122.46 1j88 s ASP 159 Ca 0.21 1.08 0.00 0.00 0.71 0.00 0.00 52.55 54.55 1j88 s ASP 159 Cb -0.07 -2.29 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 1j88 s ASP 159 CO 0.10 0.23 -0.03 -0.31 0.21 0.00 0.00 175.17 175.38 1j88 s TYR 160 N -1.22 0.23 0.01 4.23 1.51 0.10 -4.95 117.35 117.25 1j88 s TYR 160 Ca 0.30 -0.45 0.07 0.00 -1.01 0.00 0.00 57.07 55.98 1j88 s TYR 160 Cb -0.17 -0.16 -0.03 0.00 -0.11 0.00 0.00 41.96 41.49 1j88 s TYR 160 CO 0.17 -0.16 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.25 1j88 s GLU 161 N -1.23 2.12 0.49 -0.62 2.12 -1.26 -1.78 118.70 118.54 1j88 s GLU 161 Ca -0.13 -0.93 0.01 0.00 0.36 0.00 0.00 54.97 54.27 1j88 s GLU 161 Cb -0.08 -2.16 0.01 0.00 0.26 0.00 0.00 34.13 32.16 1j88 s GLU 161 CO -0.01 0.56 0.71 -1.54 -0.54 0.00 0.00 175.26 174.44 1j88 s SER 162 N -1.10 5.57 0.31 -1.70 1.04 -0.73 -4.75 113.70 112.35 1j88 s SER 162 Ca 0.13 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.40 1j88 s SER 162 Cb -0.10 -1.21 -0.10 0.00 0.10 0.00 0.00 66.02 64.71 1j88 s SER 162 CO 0.02 -0.90 1.20 -1.61 0.98 0.00 0.00 173.24 172.93 1j88 s GLU 163 N -4.64 4.46 0.64 4.02 0.41 -1.26 -4.71 118.70 117.62 1j88 s GLU 163 Ca 0.53 1.99 -0.15 0.00 -0.41 0.00 0.00 54.97 56.92 1j88 s GLU 163 Cb -0.10 -3.09 -0.01 0.00 -1.78 0.00 0.00 34.13 29.15 1j88 s GLU 163 CO 0.38 -0.01 1.09 -1.25 -0.49 0.00 0.00 175.26 174.98 1j88 s PRO 164 N -1.68 2.96 -0.06 0.39 0.04 -1.26 -4.62 135.00 130.76 1j88 s PRO 164 Ca 0.48 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1j88 s PRO 164 Cb -0.35 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1j88 s PRO 164 CO 0.46 -1.12 0.11 -1.17 0.04 0.00 0.00 177.00 175.33 1j88 s LEU 165 N -4.79 0.42 0.35 -3.56 2.96 0.20 -4.97 118.68 109.30 1j88 s LEU 165 Ca 0.66 0.22 -0.23 0.00 -0.22 0.00 0.00 54.13 54.56 1j88 s LEU 165 Cb -0.19 0.15 -0.10 0.00 0.50 0.00 0.00 46.19 46.56 1j88 s LEU 165 CO 0.41 -0.20 0.90 0.20 -1.32 0.00 0.00 176.35 176.34 1j88 s ASN 166 N 1.70 7.12 -0.05 3.68 0.01 -1.26 -0.73 114.94 125.40 1j88 s ASN 166 Ca -0.03 1.69 -0.02 0.00 -0.71 0.00 0.00 52.86 53.79 1j88 s ASN 166 Cb -0.12 -2.53 0.04 0.00 0.41 0.00 0.00 41.25 39.05 1j88 s ASN 166 CO -0.05 -0.17 0.11 -0.63 -1.51 0.00 0.00 177.10 174.85 1j88 s ILE 167 N -1.84 -0.10 -0.03 0.60 1.01 0.07 -4.93 121.20 115.99 1j88 s ILE 167 Ca 0.54 0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.51 1j88 s ILE 167 Cb -0.14 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.11 1j88 s ILE 167 CO 0.19 0.10 -0.23 -0.89 0.00 0.00 0.00 174.94 174.11 1j88 s THR 168 N 1.45 2.27 -0.30 2.92 2.01 -0.88 -1.12 115.64 121.99 1j88 s THR 168 Ca -0.05 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 60.96 1j88 s THR 168 Cb -0.12 -1.81 0.08 0.00 0.01 0.00 0.00 72.50 70.65 1j88 s THR 168 CO -0.05 0.58 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 1j88 s VAL 169 N -0.56 2.19 0.73 3.82 1.01 -1.26 -0.24 120.40 126.08 1j88 s VAL 169 Ca 0.08 -1.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.08 1j88 s VAL 169 Cb -0.11 -2.44 0.10 0.00 0.00 0.00 0.00 36.38 33.94 1j88 s VAL 169 CO 0.00 -0.29 1.01 0.27 0.00 0.00 0.00 175.10 176.09 1j88 s ILE 170 N 1.03 2.24 0.00 2.22 -4.36 -0.40 -4.79 121.20 117.13 1j88 s ILE 170 Ca 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 60.65 59.97 1j88 s ILE 170 Cb -0.19 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.70 1j88 s ILE 170 CO -0.07 0.00 0.26 2.29 0.24 0.00 0.00 174.94 177.66