#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8r s ASN 2 N 0.00 0.08 -0.11 -0.67 0.01 -1.26 -2.49 114.94 110.50 1j8r s ASN 2 Ca 0.00 0.38 0.03 0.00 -0.71 0.00 0.00 52.86 52.56 1j8r s ASN 2 Cb 0.00 0.29 0.00 0.00 0.41 0.00 0.00 41.25 41.96 1j8r s ASN 2 CO 0.00 -0.18 -0.22 0.20 -1.51 0.00 0.00 177.10 175.39 1j8r s ASN 3 N 1.54 2.98 -0.06 -1.22 0.02 0.61 -2.67 114.94 116.14 1j8r s ASN 3 Ca -0.06 -0.55 0.02 0.00 -1.02 0.00 0.00 52.86 51.26 1j8r s ASN 3 Cb -0.11 -1.37 0.01 0.00 0.02 0.00 0.00 41.25 39.80 1j8r s ASN 3 CO -0.07 0.12 -0.12 -0.63 0.02 0.00 0.00 177.10 176.43 1j8r s ILE 4 N 0.51 1.11 -0.04 0.60 1.09 0.48 -0.03 121.20 124.93 1j8r s ILE 4 Ca -0.15 -0.48 0.03 0.00 -1.10 0.00 0.00 60.65 58.94 1j8r s ILE 4 Cb -0.17 -1.01 0.01 0.00 -1.06 0.00 0.00 42.46 40.23 1j8r s ILE 4 CO 0.05 0.35 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.44 1j8r s VAL 5 N 0.54 0.99 -0.26 2.92 1.01 0.49 -0.76 120.40 125.33 1j8r s VAL 5 Ca -0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1j8r s VAL 5 Cb -0.14 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 1j8r s VAL 5 CO 0.03 0.31 0.10 0.12 0.00 0.00 0.00 175.10 175.65 1j8r s PHE 6 N 0.36 3.12 -0.39 5.22 5.36 0.21 -0.58 117.98 131.28 1j8r s PHE 6 Ca -0.07 -0.41 -0.15 0.00 -0.96 0.00 0.00 56.93 55.34 1j8r s PHE 6 Cb -0.12 -2.27 0.01 0.00 -0.34 0.00 0.00 43.02 40.30 1j8r s PHE 6 CO 0.02 -0.36 0.30 0.71 -1.46 0.00 0.00 175.22 174.42 1j8r s TYR 7 N 1.63 3.23 -0.17 10.12 1.51 -1.26 -1.87 117.35 130.53 1j8r s TYR 7 Ca 0.06 -0.43 -0.16 0.00 -1.01 0.00 0.00 57.07 55.53 1j8r s TYR 7 Cb -0.16 -2.58 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1j8r s TYR 7 CO 0.05 -0.52 0.39 0.45 -1.11 0.00 0.00 175.55 174.81 1j8r s SER 8 N 1.70 6.50 0.32 2.29 0.15 0.50 -4.23 113.70 120.94 1j8r s SER 8 Ca 0.06 0.59 -0.10 0.00 0.70 0.00 0.00 55.95 57.20 1j8r s SER 8 Cb -0.18 -2.23 -0.07 0.00 -1.71 0.00 0.00 66.02 61.82 1j8r s SER 8 CO 0.11 -0.01 0.67 -0.76 1.20 0.00 0.00 173.24 174.44 1j8r s LEU 9 N 0.91 4.01 -0.42 3.45 1.43 -0.16 -0.69 118.68 127.21 1j8r s LEU 9 Ca 0.20 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.42 1j8r s LEU 9 Cb -0.14 -3.86 0.27 0.00 0.03 0.00 0.00 46.19 42.48 1j8r s LEU 9 CO 0.07 -0.24 0.69 0.61 0.23 0.00 0.00 176.35 177.72 1j8r n GLY 10 N -0.73 2.04 3.86 -3.19 0.00 -1.26 -3.79 105.19 102.11 1j8r n GLY 10 Ca 0.01 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 1j8r n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j8r s ASP 11 N -1.51 5.52 -0.04 1.61 1.47 -1.26 -4.80 116.67 117.66 1j8r s ASP 11 Ca 0.34 -0.32 0.04 0.00 1.18 0.00 0.00 52.55 53.80 1j8r s ASP 11 Cb 0.22 -1.26 -0.03 0.00 -0.34 0.00 0.00 42.92 41.51 1j8r s ASP 11 CO -0.14 -0.18 -0.16 -0.69 0.68 0.00 0.00 175.17 174.68 1j8r s VAL 12 N -2.19 2.94 0.11 2.11 1.01 -1.26 -1.78 120.40 121.34 1j8r s VAL 12 Ca 0.37 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 1j8r s VAL 12 Cb -0.07 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1j8r s VAL 12 CO 0.26 0.58 -0.00 0.21 0.00 0.00 0.00 175.10 176.15 1j8r s ASN 13 N -0.75 0.67 0.13 3.32 2.47 0.24 -4.96 114.94 116.05 1j8r s ASN 13 Ca 0.11 -1.10 0.08 0.00 0.42 0.00 0.00 52.86 52.38 1j8r s ASN 13 Cb -0.11 0.20 -0.04 0.00 -1.45 0.00 0.00 41.25 39.86 1j8r s ASN 13 CO 0.01 -0.62 -0.20 -0.44 -3.72 0.00 0.00 177.10 172.13 1j8r s SER 14 N -3.03 2.58 -0.07 -4.21 0.01 -1.26 0.96 113.70 108.68 1j8r s SER 14 Ca 0.17 -0.76 -0.03 0.00 1.31 0.00 0.00 55.95 56.64 1j8r s SER 14 Cb 0.07 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.20 1j8r s SER 14 CO -0.03 0.01 0.13 -0.47 0.41 0.00 0.00 173.24 173.30 1j8r s TYR 15 N -1.55 -0.12 -0.31 2.43 5.04 -0.82 -4.89 117.35 117.12 1j8r s TYR 15 Ca 0.10 0.48 -0.21 0.00 -2.44 0.00 0.00 57.07 55.00 1j8r s TYR 15 Cb -0.08 -0.22 -0.01 0.00 0.35 0.00 0.00 41.96 42.00 1j8r s TYR 15 CO 0.05 -0.21 0.68 -1.14 -1.34 0.00 0.00 175.55 173.60 1j8r s GLN 16 N 1.75 3.90 0.01 4.97 2.00 -1.26 -1.55 119.66 129.49 1j8r s GLN 16 Ca -0.02 0.37 0.22 0.00 -2.00 0.00 0.00 55.36 53.93 1j8r s GLN 16 Cb -0.12 -3.73 -0.08 0.00 0.80 0.00 0.00 33.01 29.88 1j8r s GLN 16 CO -0.05 -0.62 0.93 0.41 -0.50 0.00 0.00 175.29 175.45 1j8r n GLY 17 N 4.37 -1.10 7.00 2.59 0.00 0.66 -4.98 105.19 113.73 1j8r n GLY 17 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1j8r n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j8r n GLY 18 N 1.41 -0.42 3.74 -0.02 0.00 -1.25 -4.76 105.19 103.88 1j8r n GLY 18 Ca 0.02 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 1j8r n GLY 18 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j8r s ASN 19 N -4.00 7.57 0.06 1.61 0.01 -1.26 -0.34 114.94 118.60 1j8r s ASN 19 Ca 0.00 1.89 -0.04 0.00 -0.71 0.00 0.00 52.86 54.00 1j8r s ASN 19 Cb 0.00 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1j8r s ASN 19 CO 0.00 0.05 0.04 0.68 -1.51 0.00 0.00 177.10 176.36 1j8r s VAL 20 N -0.65 0.19 0.21 1.60 -7.23 0.38 -4.88 120.40 110.02 1j8r s VAL 20 Ca 0.44 -1.57 0.11 0.00 -1.81 0.00 0.00 61.98 59.15 1j8r s VAL 20 Cb -0.25 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 1j8r s VAL 20 CO 0.31 -0.87 -0.22 0.54 -0.31 0.00 0.00 175.10 174.55 1j8r s VAL 21 N -3.81 2.43 -1.73 1.32 0.11 -1.26 -0.85 120.40 116.61 1j8r s VAL 21 Ca 0.06 -2.07 0.14 0.00 -2.93 0.00 0.00 61.98 57.17 1j8r s VAL 21 Cb 0.06 -2.19 0.33 0.00 -1.53 0.00 0.00 36.38 33.05 1j8r s VAL 21 CO -0.10 -0.17 1.31 2.30 -3.33 0.00 0.00 175.10 175.11 1j8r n ILE 22 N 0.09 0.29 1.02 7.04 -6.64 0.08 -1.55 119.36 119.69 1j8r n ILE 22 Ca -0.11 0.07 0.11 0.00 -1.77 0.00 0.00 62.75 61.06 1j8r n ILE 22 Cb 0.57 -0.85 0.11 0.00 -1.44 0.00 0.00 39.64 38.03 1j8r n ILE 22 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1j8r n THR 23 N -1.13 0.00 -3.19 7.28 -2.24 -1.26 -4.56 114.28 109.18 1j8r n THR 23 Ca 0.09 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.63 1j8r n THR 23 Cb 0.08 0.61 0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1j8r n THR 23 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1j8r s GLN 24 N -2.92 3.02 -0.61 -0.78 -0.21 -0.60 -5.07 119.66 112.50 1j8r s GLN 24 Ca 0.12 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.71 1j8r s GLN 24 Cb 0.17 -2.70 0.16 0.00 1.00 0.00 0.00 33.01 31.65 1j8r s GLN 24 CO 0.74 -0.15 0.42 1.03 -2.12 0.00 0.00 175.29 175.20 1j8r s ARG 25 N -4.37 2.03 0.35 2.91 0.52 -1.26 -4.43 118.95 114.71 1j8r s ARG 25 Ca 0.48 -2.93 -0.28 0.00 -0.52 0.00 0.00 55.73 52.48 1j8r s ARG 25 Cb -0.10 -2.98 -0.12 0.00 0.52 0.00 0.00 34.95 32.28 1j8r s ARG 25 CO 0.34 -1.27 1.38 -0.35 0.02 0.00 0.00 175.30 175.43 1j8r n PRO 26 N 2.41 2.37 -3.45 3.54 -0.04 -1.22 -4.31 135.00 134.30 1j8r n PRO 26 Ca 0.18 0.83 -0.19 0.00 -0.04 0.00 0.00 63.50 64.29 1j8r n PRO 26 Cb 0.37 -2.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1j8r n PRO 26 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1j8r s GLN 27 N -1.91 3.11 -0.03 0.54 -2.07 -1.26 -0.83 119.66 117.21 1j8r s GLN 27 Ca 0.55 -1.00 -0.12 0.00 -1.82 0.00 0.00 55.36 52.96 1j8r s GLN 27 Cb -0.53 -2.81 0.02 0.00 -1.09 0.00 0.00 33.01 28.60 1j8r s GLN 27 CO 0.62 0.05 0.27 -0.59 -1.32 0.00 0.00 175.29 174.32 1j8r s PHE 28 N -2.19 -0.16 -0.18 9.60 -0.12 0.10 -4.82 117.98 120.22 1j8r s PHE 28 Ca 0.45 0.28 -0.06 0.00 -0.05 0.00 0.00 56.93 57.55 1j8r s PHE 28 Cb -0.10 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 1j8r s PHE 28 CO 0.31 -0.32 0.04 0.42 -0.05 0.00 0.00 175.22 175.62 1j8r s ILE 29 N -1.06 4.56 -0.28 -4.49 1.01 -1.26 -1.15 121.20 118.53 1j8r s ILE 29 Ca -0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 1j8r s ILE 29 Cb -0.05 -3.04 -0.00 0.00 0.01 0.00 0.00 42.46 39.38 1j8r s ILE 29 CO 0.03 0.47 0.07 -0.89 0.00 0.00 0.00 174.94 174.61 1j8r s THR 30 N 0.37 3.97 0.04 2.92 2.01 0.32 -4.97 115.64 120.30 1j8r s THR 30 Ca 0.01 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1j8r s THR 30 Cb -0.13 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1j8r s THR 30 CO 0.01 0.16 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.62 1j8r s SER 31 N 1.52 4.78 -0.19 3.53 0.01 -1.26 -0.89 113.70 121.20 1j8r s SER 31 Ca 0.04 -0.17 -0.26 0.00 1.31 0.00 0.00 55.95 56.87 1j8r s SER 31 Cb -0.16 -1.12 -0.01 0.00 0.21 0.00 0.00 66.02 64.94 1j8r s SER 31 CO 0.02 0.24 0.87 0.86 0.41 0.00 0.00 173.24 175.63 1j8r s TRP 32 N -1.13 3.39 -0.24 2.43 -0.11 -1.26 -5.03 118.94 116.99 1j8r s TRP 32 Ca 0.20 1.27 -0.01 0.00 1.22 0.00 0.00 56.10 58.78 1j8r s TRP 32 Cb -0.11 -3.06 0.02 0.00 -1.50 0.00 0.00 33.47 28.82 1j8r s TRP 32 CO 0.12 -0.30 -0.07 1.03 -4.62 0.00 0.00 176.95 173.10 1j8r s ARG 33 N 2.42 2.85 0.46 5.86 0.52 -1.26 -4.60 118.95 125.20 1j8r s ARG 33 Ca 0.39 -0.96 -0.24 0.00 -0.52 0.00 0.00 55.73 54.40 1j8r s ARG 33 Cb -0.16 -2.95 -0.08 0.00 0.52 0.00 0.00 34.95 32.27 1j8r s ARG 33 CO 0.11 -0.38 1.25 -2.30 0.02 0.00 0.00 175.30 174.00 1j8r n PRO 34 N 4.66 1.78 -3.13 3.54 -0.02 -1.26 -4.91 135.00 135.65 1j8r n PRO 34 Ca -0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1j8r n PRO 34 Cb 0.47 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1j8r n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j8r n GLY 35 N 0.85 -0.92 3.73 -1.23 0.00 -0.56 -5.00 105.19 102.05 1j8r n GLY 35 Ca 0.08 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1j8r n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j8r s ILE 36 N -3.00 4.62 0.12 -0.61 -1.09 -1.26 -0.89 121.20 119.09 1j8r s ILE 36 Ca 0.00 2.00 0.09 0.00 -2.23 0.00 0.00 60.65 60.50 1j8r s ILE 36 Cb 0.00 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 1j8r s ILE 36 CO 0.00 0.29 -0.17 0.00 -1.23 0.00 0.00 174.94 173.83 1j8r s ALA 37 N 0.21 2.73 -0.08 9.38 0.00 0.31 -4.33 121.76 129.97 1j8r s ALA 37 Ca 0.47 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1j8r s ALA 37 Cb -0.22 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1j8r s ALA 37 CO 0.28 0.59 -0.21 0.99 0.00 0.00 0.00 175.76 177.41 1j8r s THR 38 N -1.18 2.36 0.08 0.00 2.01 0.13 -1.66 115.64 117.38 1j8r s THR 38 Ca 0.19 -0.94 -0.31 0.00 0.31 0.00 0.00 61.69 60.94 1j8r s THR 38 Cb -0.11 -1.91 -0.08 0.00 0.01 0.00 0.00 72.50 70.42 1j8r s THR 38 CO 0.11 0.56 1.56 -0.69 -0.69 0.00 0.00 174.62 175.47 1j8r s VAL 39 N 0.04 3.13 0.00 3.82 1.01 0.47 -0.37 120.40 128.50 1j8r s VAL 39 Ca -0.08 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1j8r s VAL 39 Cb -0.15 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1j8r s VAL 39 CO 0.05 0.01 0.40 0.35 0.00 0.00 0.00 175.10 175.92 1j8r n THR 40 N 4.50 0.00 -3.60 3.92 -2.24 -0.78 -0.48 114.28 115.59 1j8r n THR 40 Ca 0.14 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 1j8r n THR 40 Cb 0.41 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 1j8r n THR 40 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1j8r s TRP 41 N -0.17 -0.36 0.21 4.78 -0.00 -1.25 -4.91 118.94 117.24 1j8r s TRP 41 Ca 0.00 0.71 -0.19 0.00 -0.00 0.00 0.00 56.10 56.62 1j8r s TRP 41 Cb 0.00 0.43 0.03 0.00 -0.00 0.00 0.00 33.47 33.93 1j8r s TRP 41 CO 0.00 -0.28 0.57 0.54 -0.00 0.00 0.00 176.95 177.78 1j8r s ASN 42 N -0.72 -0.30 -0.23 5.86 2.20 -1.26 -0.62 114.94 119.87 1j8r s ASN 42 Ca 0.00 -0.45 -0.04 0.00 -0.94 0.00 0.00 52.86 51.43 1j8r s ASN 42 Cb -0.02 0.61 0.12 0.00 -2.00 0.00 0.00 41.25 39.96 1j8r s ASN 42 CO -0.02 -1.10 0.40 -1.58 -2.94 0.00 0.00 177.10 171.87 1j8r s GLN 43 N -3.87 0.35 -0.01 3.55 0.74 0.06 -4.99 119.66 115.49 1j8r s GLN 43 Ca 0.09 0.72 -0.02 0.00 0.05 0.00 0.00 55.36 56.20 1j8r s GLN 43 Cb -0.02 -0.16 0.00 0.00 1.10 0.00 0.00 33.01 33.93 1j8r s GLN 43 CO -0.02 -0.51 0.04 0.00 -0.55 0.00 0.00 175.29 174.25 1j8r n ASN 45 N 2.70 0.38 0.00 0.00 0.23 -1.09 -5.01 115.26 112.47 1j8r n ASN 45 Ca -0.15 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 52.71 1j8r n ASN 45 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 1j8r n ASN 45 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j8r n GLY 46 N -0.09 3.02 3.80 4.83 0.00 -1.26 -4.80 105.19 110.68 1j8r n GLY 46 Ca 0.00 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 1j8r n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j8r s PRO 47 N 2.67 3.12 -0.03 1.61 0.04 -1.26 -4.99 135.00 136.16 1j8r s PRO 47 Ca 0.00 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 1j8r s PRO 47 Cb 0.00 -2.01 -0.31 0.00 0.04 0.00 0.00 34.50 32.22 1j8r s PRO 47 CO 0.00 -0.96 0.74 1.49 0.04 0.00 0.00 177.00 178.30 1j8r h GLU 48 N 0.03 0.40 -5.77 4.56 4.81 -1.96 -3.42 114.58 113.24 1j8r h GLU 48 Ca -0.46 -0.69 -0.54 0.00 -0.13 0.00 0.00 59.36 57.54 1j8r h GLU 48 Cb 1.22 0.26 -0.27 0.00 0.63 0.00 0.00 28.75 30.58 1j8r h GLU 48 CO 0.57 1.32 -0.83 -0.06 -0.73 0.00 0.00 179.01 179.27 1j8r s PHE 49 N -2.59 1.61 -0.23 0.92 0.40 -1.26 -0.37 117.98 116.46 1j8r s PHE 49 Ca -0.14 -0.33 -0.08 0.00 -0.60 0.00 0.00 56.93 55.78 1j8r s PHE 49 Cb 0.05 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.55 1j8r s PHE 49 CO 0.87 0.02 0.08 0.00 0.70 0.00 0.00 175.22 176.90 1j8r s ALA 50 N -0.61 3.30 -2.30 5.36 0.00 0.08 -4.93 121.76 122.66 1j8r s ALA 50 Ca 0.06 -0.99 0.21 0.00 0.00 0.00 0.00 51.96 51.24 1j8r s ALA 50 Cb -0.08 -2.08 0.68 0.00 0.00 0.00 0.00 23.12 21.64 1j8r s ALA 50 CO 0.00 -0.25 1.51 -0.40 0.00 0.00 0.00 175.76 176.62 1j8r n ASP 51 N 4.44 1.95 0.00 0.00 5.68 -1.26 -1.01 116.55 126.35 1j8r n ASP 51 Ca -0.16 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 1j8r n ASP 51 Cb 0.52 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1j8r n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j8r n GLY 52 N 1.18 3.12 0.01 6.12 0.00 -1.25 -4.81 105.19 109.57 1j8r n GLY 52 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1j8r n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1j8r n PHE 53 N -1.40 0.12 -4.74 1.61 0.99 -1.26 -4.83 117.46 107.94 1j8r n PHE 53 Ca 0.00 0.04 -0.26 0.00 -0.00 0.00 0.00 57.45 57.22 1j8r n PHE 53 Cb 0.00 -0.35 -0.14 0.00 -1.00 0.00 0.00 39.48 37.99 1j8r n PHE 53 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1j8r s TRP 54 N -3.04 1.84 0.33 1.38 0.52 -1.26 -5.11 118.94 113.59 1j8r s TRP 54 Ca 0.10 -0.37 -0.13 0.00 0.02 0.00 0.00 56.10 55.72 1j8r s TRP 54 Cb 0.17 -1.12 -0.08 0.00 -1.15 0.00 0.00 33.47 31.29 1j8r s TRP 54 CO 0.70 0.06 0.71 0.00 0.02 0.00 0.00 176.95 178.45 1j8r s ALA 55 N -0.72 3.37 0.25 0.98 0.00 -1.26 -4.42 121.76 119.95 1j8r s ALA 55 Ca 0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 1j8r s ALA 55 Cb -0.09 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 1j8r s ALA 55 CO 0.01 0.28 0.43 1.52 0.00 0.00 0.00 175.76 178.00 1j8r s TYR 56 N -2.05 0.52 -0.05 0.00 -0.85 -0.35 -4.92 117.35 109.65 1j8r s TYR 56 Ca 0.52 -0.86 0.06 0.00 -0.52 0.00 0.00 57.07 56.28 1j8r s TYR 56 Cb -0.10 0.07 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 1j8r s TYR 56 CO 0.21 -0.96 -0.24 0.71 -1.52 0.00 0.00 175.55 173.75 1j8r s TYR 57 N -3.95 2.45 -0.13 -3.49 1.51 0.64 -0.63 117.35 113.75 1j8r s TYR 57 Ca 0.25 -0.57 -0.07 0.00 -1.01 0.00 0.00 57.07 55.67 1j8r s TYR 57 Cb 0.00 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1j8r s TYR 57 CO 0.10 -0.12 0.14 1.03 -1.11 0.00 0.00 175.55 175.59 1j8r s ARG 58 N -0.34 3.54 -0.17 -0.62 0.52 0.73 -1.36 118.95 121.25 1j8r s ARG 58 Ca 0.02 -0.15 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1j8r s ARG 58 Cb -0.12 -3.22 0.06 0.00 0.52 0.00 0.00 34.95 32.19 1j8r s ARG 58 CO 0.02 0.71 0.05 -2.00 0.02 0.00 0.00 175.30 174.10 1j8r s GLU 59 N -0.83 0.48 -0.11 3.54 2.12 -0.15 -2.49 118.70 121.26 1j8r s GLU 59 Ca 0.14 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1j8r s GLU 59 Cb -0.12 -1.88 -0.02 0.00 0.26 0.00 0.00 34.13 32.37 1j8r s GLU 59 CO 0.03 -0.60 -0.10 0.71 -0.54 0.00 0.00 175.26 174.76 1j8r s TYR 60 N 1.95 2.86 -0.07 5.30 4.12 -0.44 -1.11 117.35 129.95 1j8r s TYR 60 Ca 0.01 -0.35 -0.01 0.00 0.02 0.00 0.00 57.07 56.73 1j8r s TYR 60 Cb -0.16 -1.80 0.03 0.00 -1.52 0.00 0.00 41.96 38.51 1j8r s TYR 60 CO -0.08 0.00 -0.02 0.42 0.02 0.00 0.00 175.55 175.90 1j8r s ILE 61 N -0.07 0.49 0.33 2.71 1.01 -0.39 -2.70 121.20 122.58 1j8r s ILE 61 Ca -0.01 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 1j8r s ILE 61 Cb -0.14 -0.61 -0.10 0.00 0.01 0.00 0.00 42.46 41.62 1j8r s ILE 61 CO 0.03 0.27 0.94 0.00 0.00 0.00 0.00 174.94 176.19 1j8r s ALA 62 N 1.79 3.20 0.05 9.38 0.00 0.31 -0.44 121.76 136.04 1j8r s ALA 62 Ca 0.03 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.54 1j8r s ALA 62 Cb -0.13 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1j8r s ALA 62 CO -0.05 0.17 -0.15 -1.58 0.00 0.00 0.00 175.76 174.16 1j8r s TRP 63 N -1.67 1.27 -0.04 0.00 0.52 -0.02 -1.12 118.94 117.88 1j8r s TRP 63 Ca 0.51 -0.38 -0.02 0.00 0.02 0.00 0.00 56.10 56.23 1j8r s TRP 63 Cb -0.18 -0.74 0.03 0.00 -1.15 0.00 0.00 33.47 31.44 1j8r s TRP 63 CO 0.23 0.05 0.08 0.08 0.02 0.00 0.00 176.95 177.41 1j8r s VAL 64 N -0.97 -0.11 -0.18 4.03 1.01 -0.38 -1.30 120.40 122.50 1j8r s VAL 64 Ca 0.01 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1j8r s VAL 64 Cb -0.09 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 36.16 1j8r s VAL 64 CO 0.02 0.13 -0.17 -0.69 0.00 0.00 0.00 175.10 174.38 1j8r s VAL 65 N 1.65 1.92 -0.04 2.92 1.01 0.17 -0.84 120.40 127.20 1j8r s VAL 65 Ca -0.02 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1j8r s VAL 65 Cb -0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1j8r s VAL 65 CO -0.04 0.45 -0.18 0.12 0.00 0.00 0.00 175.10 175.45 1j8r s PHE 66 N 1.33 1.77 0.51 5.22 5.36 -0.68 -1.45 117.98 130.04 1j8r s PHE 66 Ca 0.03 -0.46 -0.22 0.00 -0.96 0.00 0.00 56.93 55.33 1j8r s PHE 66 Cb -0.14 -1.17 -0.06 0.00 -0.34 0.00 0.00 43.02 41.31 1j8r s PHE 66 CO -0.11 -0.13 1.25 -1.25 -1.46 0.00 0.00 175.22 173.51 1j8r s PRO 67 N -0.13 3.45 0.05 10.12 0.04 -1.26 0.89 135.00 148.15 1j8r s PRO 67 Ca -0.00 1.96 0.24 0.00 0.04 0.00 0.00 61.00 63.24 1j8r s PRO 67 Cb -0.10 -2.31 0.30 0.00 0.04 0.00 0.00 34.50 32.43 1j8r s PRO 67 CO 0.01 -0.86 1.26 1.63 0.04 0.00 0.00 177.00 179.08 1j8r n LYS 68 N -0.79 0.17 -3.79 4.56 5.02 -0.22 -4.74 118.16 118.36 1j8r n LYS 68 Ca 0.09 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1j8r n LYS 68 Cb 0.47 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.80 1j8r n LYS 68 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1j8r s LYS 69 N -3.10 0.50 0.00 1.97 2.20 -1.26 -0.61 119.74 119.43 1j8r s LYS 69 Ca 0.07 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1j8r s LYS 69 Cb 0.15 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1j8r s LYS 69 CO 0.74 -0.11 0.00 1.55 -0.36 0.00 0.00 175.35 177.17 1j8r n VAL 70 N 1.96 0.00 -4.41 4.02 3.14 -0.76 -4.97 118.33 117.31 1j8r n VAL 70 Ca -0.18 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 60.99 1j8r n VAL 70 Cb 0.57 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.24 1j8r n VAL 70 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1j8r s THR 72 N 0.91 1.32 0.24 1.55 -4.23 0.12 -0.16 115.64 115.38 1j8r s THR 72 Ca 0.00 -2.05 -0.06 0.00 -1.18 0.00 0.00 61.69 58.39 1j8r s THR 72 Cb 0.00 -2.54 0.21 0.00 1.34 0.00 0.00 72.50 71.51 1j8r s THR 72 CO 0.00 -0.21 1.87 -0.61 -0.54 0.00 0.00 174.62 175.14 1j8r h GLN 73 N 2.28 1.02 -0.78 3.99 4.15 -1.89 -1.20 115.11 122.67 1j8r h GLN 73 Ca -0.40 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1j8r h GLN 73 Cb 1.23 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.69 1j8r h GLN 73 CO 0.67 0.68 0.00 0.27 -1.93 0.00 0.00 178.83 178.52 1j8r n ASN 74 N -4.56 1.20 0.00 -0.69 2.04 -1.26 -4.87 115.26 107.11 1j8r n ASN 74 Ca 0.11 -2.07 0.00 0.00 -0.44 0.00 0.00 54.58 52.19 1j8r n ASN 74 Cb 0.11 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 36.94 1j8r n ASN 74 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1j8r n GLY 75 N 0.17 0.66 3.53 4.83 0.00 -0.45 -5.09 105.19 108.84 1j8r n GLY 75 Ca 0.02 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1j8r n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j8r s TYR 76 N -2.00 2.81 0.04 1.61 1.51 -1.26 -4.84 117.35 115.23 1j8r s TYR 76 Ca 0.00 -0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 55.70 1j8r s TYR 76 Cb 0.00 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1j8r s TYR 76 CO 0.00 0.26 0.91 -1.25 -1.11 0.00 0.00 175.55 174.36 1j8r s PRO 77 N -0.81 4.59 -0.08 -1.71 0.04 -1.26 0.16 135.00 135.93 1j8r s PRO 77 Ca 0.12 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1j8r s PRO 77 Cb -0.11 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 1j8r s PRO 77 CO 0.01 0.11 -0.07 -0.51 0.04 0.00 0.00 177.00 176.59 1j8r s LEU 78 N 0.43 3.14 -0.30 -3.56 1.43 0.77 -4.20 118.68 116.39 1j8r s LEU 78 Ca 0.46 -0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.41 1j8r s LEU 78 Cb -0.21 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1j8r s LEU 78 CO 0.27 0.33 0.16 -0.36 0.23 0.00 0.00 176.35 176.99 1j8r s PHE 79 N -0.64 3.18 -0.15 0.29 0.40 -0.75 -1.83 117.98 118.48 1j8r s PHE 79 Ca 0.10 -0.30 -0.17 0.00 -0.60 0.00 0.00 56.93 55.96 1j8r s PHE 79 Cb -0.11 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1j8r s PHE 79 CO 0.02 -0.34 0.45 0.42 0.70 0.00 0.00 175.22 176.46 1j8r s ILE 80 N 1.67 5.19 0.08 0.64 1.01 0.22 -0.54 121.20 129.47 1j8r s ILE 80 Ca 0.06 0.86 0.07 0.00 0.00 0.00 0.00 60.65 61.64 1j8r s ILE 80 Cb -0.16 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1j8r s ILE 80 CO 0.08 0.29 -0.19 -1.61 0.00 0.00 0.00 174.94 173.51 1j8r s GLU 81 N 0.93 1.10 0.00 2.79 2.02 -0.04 -4.73 118.70 120.76 1j8r s GLU 81 Ca 0.23 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 1j8r s GLU 81 Cb -0.15 -1.26 -0.03 0.00 0.10 0.00 0.00 34.13 32.79 1j8r s GLU 81 CO 0.09 0.30 0.96 0.08 0.02 0.00 0.00 175.26 176.71 1j8r s VAL 82 N -1.07 4.86 -0.22 2.63 1.01 -1.26 -0.81 120.40 125.53 1j8r s VAL 82 Ca 0.05 2.03 -0.04 0.00 0.00 0.00 0.00 61.98 64.01 1j8r s VAL 82 Cb -0.09 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 31.86 1j8r s VAL 82 CO 0.03 0.18 -0.24 1.57 0.00 0.00 0.00 175.10 176.64 1j8r n HIS 83 N 3.82 0.00 -3.41 5.22 -0.00 0.69 -4.82 115.22 116.72 1j8r n HIS 83 Ca 0.05 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.10 1j8r n HIS 83 Cb 0.51 -0.84 -0.10 0.00 -0.12 0.00 0.00 29.99 29.44 1j8r n HIS 83 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1j8r s ASN 84 N -6.53 0.90 0.00 0.26 3.84 -0.44 -4.99 114.94 107.99 1j8r s ASN 84 Ca -0.31 -0.15 0.29 0.00 0.21 0.00 0.00 52.86 52.90 1j8r s ASN 84 Cb 0.10 0.75 1.35 0.00 -0.55 0.00 0.00 41.25 42.90 1j8r s ASN 84 CO 0.46 -0.33 1.91 2.29 -2.79 0.00 0.00 177.10 178.64 1j8r n LYS 85 N 5.34 1.40 0.00 0.43 2.85 -1.26 -0.61 118.16 126.31 1j8r n LYS 85 Ca -0.04 -0.58 0.00 0.00 -1.05 0.00 0.00 58.31 56.64 1j8r n LYS 85 Cb 0.49 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1j8r n LYS 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1j8r n GLY 86 N 1.09 3.10 0.40 2.58 0.00 -1.26 -1.72 105.19 109.38 1j8r n GLY 86 Ca 0.20 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1j8r n GLY 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j8r n SER 87 N 2.34 1.22 -4.77 1.61 3.41 -1.26 -4.94 113.62 111.22 1j8r n SER 87 Ca 0.00 -1.54 -0.39 0.00 -0.26 0.00 0.00 58.87 56.68 1j8r n SER 87 Cb 0.00 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 1j8r n SER 87 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1j8r s TRP 88 N -1.90 2.93 -0.49 7.33 0.52 -0.70 -4.97 118.94 121.65 1j8r s TRP 88 Ca 0.35 1.46 -0.24 0.00 0.02 0.00 0.00 56.10 57.69 1j8r s TRP 88 Cb 0.18 -3.58 0.03 0.00 -1.15 0.00 0.00 33.47 28.95 1j8r s TRP 88 CO 0.29 -1.81 0.86 0.45 0.02 0.00 0.00 176.95 176.76 1j8r s SER 89 N -0.84 6.40 -0.38 2.95 0.15 -0.03 -4.88 113.70 117.08 1j8r s SER 89 Ca 0.56 -0.17 -0.24 0.00 0.70 0.00 0.00 55.95 56.80 1j8r s SER 89 Cb -0.36 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 61.55 1j8r s SER 89 CO 0.46 -1.05 0.84 -0.70 1.20 0.00 0.00 173.24 173.99 1j8r s GLU 90 N 3.59 3.74 0.46 5.44 2.12 -1.26 -0.97 118.70 131.82 1j8r s GLU 90 Ca 0.31 0.35 0.03 0.00 0.36 0.00 0.00 54.97 56.02 1j8r s GLU 90 Cb -0.12 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.41 1j8r s GLU 90 CO 0.22 -0.93 0.03 -1.21 -0.54 0.00 0.00 175.26 172.83 1j8r s GLU 91 N 3.28 2.06 -1.57 4.30 2.02 -0.05 -4.77 118.70 123.97 1j8r s GLU 91 Ca 0.34 -2.27 -0.09 0.00 0.02 0.00 0.00 54.97 52.97 1j8r s GLU 91 Cb -0.12 -1.32 0.08 0.00 0.10 0.00 0.00 34.13 32.86 1j8r s GLU 91 CO 0.19 -0.32 0.52 -1.71 0.02 0.00 0.00 175.26 173.96 1j8r n ASN 92 N -1.18 -1.43 0.28 -0.19 4.05 -1.26 -4.00 115.26 111.53 1j8r n ASN 92 Ca -0.13 -1.06 0.18 0.00 0.45 0.00 0.00 54.58 54.02 1j8r n ASN 92 Cb 0.67 -2.65 0.96 0.00 1.23 0.00 0.00 39.78 39.98 1j8r n ASN 92 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1j8r h THR 93 N -1.65 0.27 0.00 -0.44 1.35 -1.93 -2.54 112.91 107.98 1j8r h THR 93 Ca -0.62 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1j8r h THR 93 Cb 1.38 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1j8r h THR 93 CO 0.71 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 177.21 1j8r h GLY 94 N 0.00 0.00 -4.31 5.82 0.00 -1.95 -3.45 103.07 99.19 1j8r h GLY 94 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.83 1j8r h GLY 94 CO -0.00 0.00 0.89 1.34 0.00 0.00 0.00 176.54 178.76 1j8r n ASP 95 N -2.72 3.88 0.19 0.19 2.03 -0.96 -4.91 116.55 114.25 1j8r n ASP 95 Ca 0.01 1.15 0.08 0.00 0.52 0.00 0.00 54.79 56.54 1j8r n ASP 95 Cb 0.24 -1.60 0.14 0.00 -0.72 0.00 0.00 41.12 39.19 1j8r n ASP 95 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1j8r h ASN 96 N 4.77 0.00 0.00 1.67 -0.26 -1.92 -3.39 115.58 116.45 1j8r h ASN 96 Ca -0.47 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.23 1j8r h ASN 96 Cb 1.22 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.48 1j8r h ASN 96 CO 0.79 0.24 -1.61 0.47 -1.06 0.00 0.00 177.43 176.27 1j8r n ASP 97 N -3.18 2.20 -3.95 5.81 8.00 -1.26 -4.84 116.55 119.33 1j8r n ASP 97 Ca 0.03 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.43 1j8r n ASP 97 Cb 0.61 1.40 -0.10 0.00 -0.02 0.00 0.00 41.12 43.01 1j8r n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1j8r s SER 98 N -3.61 0.19 0.20 -2.24 0.01 -1.26 -1.05 113.70 105.93 1j8r s SER 98 Ca -0.05 -0.47 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 1j8r s SER 98 Cb 0.07 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 1j8r s SER 98 CO 0.50 -0.38 0.42 -0.31 0.41 0.00 0.00 173.24 173.88 1j8r s TYR 99 N -1.86 3.48 -0.12 2.43 1.51 0.26 -4.71 117.35 118.32 1j8r s TYR 99 Ca -0.12 0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1j8r s TYR 99 Cb -0.06 -1.97 0.03 0.00 -0.11 0.00 0.00 41.96 39.85 1j8r s TYR 99 CO -0.02 0.36 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.67 1j8r s PHE 100 N -1.83 1.37 -0.10 2.71 0.40 -1.26 -1.68 117.98 117.58 1j8r s PHE 100 Ca 0.41 -0.72 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1j8r s PHE 100 Cb -0.11 -1.17 -0.00 0.00 0.51 0.00 0.00 43.02 42.25 1j8r s PHE 100 CO 0.27 -0.51 -0.22 -0.06 0.70 0.00 0.00 175.22 175.41 1j8r s PHE 101 N 1.75 2.60 0.07 0.36 0.40 -0.02 -0.87 117.98 122.27 1j8r s PHE 101 Ca 0.04 -0.93 0.05 0.00 -0.60 0.00 0.00 56.93 55.49 1j8r s PHE 101 Cb -0.13 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 1j8r s PHE 101 CO -0.08 -0.35 -0.14 -0.51 0.70 0.00 0.00 175.22 174.84 1j8r s LEU 102 N 0.29 2.28 -0.30 -0.37 1.02 -0.14 -1.25 118.68 120.20 1j8r s LEU 102 Ca -0.16 -0.62 -0.02 0.00 0.02 0.00 0.00 54.13 53.35 1j8r s LEU 102 Cb -0.17 -0.53 0.12 0.00 0.02 0.00 0.00 46.19 45.63 1j8r s LEU 102 CO 0.08 -0.07 0.20 -0.75 0.02 0.00 0.00 176.35 175.83 1j8r s LYS 103 N -1.74 0.30 -0.51 1.70 2.47 -0.27 -0.85 119.74 120.84 1j8r s LYS 103 Ca -0.02 -0.56 -0.21 0.00 -1.56 0.00 0.00 55.97 53.62 1j8r s LYS 103 Cb -0.10 -1.02 0.05 0.00 -1.46 0.00 0.00 37.83 35.30 1j8r s LYS 103 CO 0.02 -1.06 0.75 0.20 0.16 0.00 0.00 175.35 175.42 1j8r s GLY 104 N 1.98 1.63 0.00 5.54 0.00 -1.26 -0.53 107.32 114.67 1j8r s GLY 104 Ca 0.11 -1.48 0.07 0.00 0.00 0.00 0.00 44.72 43.41 1j8r s GLY 104 CO -0.29 1.70 0.78 1.58 0.00 0.00 0.00 173.10 176.88 1j8r n TYR 105 N 6.67 0.05 -3.74 1.90 0.18 -1.10 -4.97 117.16 116.14 1j8r n TYR 105 Ca -0.03 -0.08 -0.13 0.00 1.88 0.00 0.00 57.90 59.54 1j8r n TYR 105 Cb 0.46 -0.01 -0.13 0.00 -0.38 0.00 0.00 39.34 39.28 1j8r n TYR 105 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1j8r s LYS 106 N -0.62 0.17 0.07 -3.48 2.20 -1.22 -4.99 119.74 111.88 1j8r s LYS 106 Ca 0.09 0.47 -0.19 0.00 -0.36 0.00 0.00 55.97 55.98 1j8r s LYS 106 Cb 0.06 -0.13 0.04 0.00 -1.51 0.00 0.00 37.83 36.29 1j8r s LYS 106 CO 0.08 -0.16 0.45 1.67 -0.36 0.00 0.00 175.35 177.03 1j8r s TRP 107 N 1.18 -0.30 -1.11 4.03 -2.14 -1.24 -1.33 118.94 118.03 1j8r s TRP 107 Ca -0.09 0.20 0.00 0.00 2.66 0.00 0.00 56.10 58.87 1j8r s TRP 107 Cb -0.10 0.28 0.00 0.00 -3.10 0.00 0.00 33.47 30.55 1j8r s TRP 107 CO -0.07 -0.64 0.00 -0.25 -2.66 0.00 0.00 176.95 173.32 1j8r n ASP 108 N 0.22 -3.63 -4.52 -2.66 10.43 -1.09 -4.91 116.55 110.39 1j8r n ASP 108 Ca -0.18 0.23 -0.43 0.00 2.57 0.00 0.00 54.79 56.98 1j8r n ASP 108 Cb 0.61 -3.19 -0.06 0.00 1.84 0.00 0.00 41.12 40.33 1j8r n ASP 108 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 1j8r s GLU 109 N -4.42 3.31 0.24 -1.24 2.12 -1.04 -4.84 118.70 112.84 1j8r s GLU 109 Ca 0.00 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.72 1j8r s GLU 109 Cb 0.00 -3.97 -0.09 0.00 0.26 0.00 0.00 34.13 30.33 1j8r s GLU 109 CO 0.00 -1.10 1.18 0.50 -0.54 0.00 0.00 175.26 175.29 1j8r s ARG 110 N 3.06 4.53 -0.00 4.30 3.52 -1.26 -0.20 118.95 132.89 1j8r s ARG 110 Ca 0.25 1.90 -0.14 0.00 -0.13 0.00 0.00 55.73 57.61 1j8r s ARG 110 Cb -0.14 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 1j8r s ARG 110 CO 0.20 0.01 0.29 0.00 -0.81 0.00 0.00 175.30 174.99 1j8r s ALA 111 N -0.62 -0.73 -0.81 6.12 0.00 0.20 -4.94 121.76 120.99 1j8r s ALA 111 Ca 0.49 0.23 0.09 0.00 0.00 0.00 0.00 51.96 52.77 1j8r s ALA 111 Cb -0.33 0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1j8r s ALA 111 CO 0.41 -0.28 0.60 1.19 0.00 0.00 0.00 175.76 177.67 1j8r n PHE 112 N 1.16 0.00 -1.69 0.00 3.01 -1.26 -1.21 117.46 117.47 1j8r n PHE 112 Ca -0.21 0.00 -0.61 0.00 1.01 0.00 0.00 57.45 57.64 1j8r n PHE 112 Cb 0.57 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.95 1j8r n PHE 112 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1j8r n ASP 113 N -0.22 1.71 -4.76 4.37 9.92 -1.26 -3.87 116.55 122.44 1j8r n ASP 113 Ca 0.04 1.13 -0.36 0.00 -0.53 0.00 0.00 54.79 55.06 1j8r n ASP 113 Cb 0.18 -1.04 0.02 0.00 -0.64 0.00 0.00 41.12 39.64 1j8r n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j8r s ALA 114 N 2.74 2.67 0.00 2.24 0.00 -1.26 -4.73 121.76 123.42 1j8r s ALA 114 Ca 0.98 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1j8r s ALA 114 Cb -1.22 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 18.47 1j8r s ALA 114 CO 0.68 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1j8r n GLY 115 N 0.44 0.27 3.58 0.00 0.00 -0.18 -4.95 105.19 104.36 1j8r n GLY 115 Ca 0.12 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1j8r n GLY 115 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j8r s ASN 116 N 0.00 6.49 -0.04 1.61 3.84 -1.26 -0.74 114.94 124.84 1j8r s ASN 116 Ca 0.00 0.30 0.14 0.00 0.21 0.00 0.00 52.86 53.51 1j8r s ASN 116 Cb 0.00 -2.35 0.47 0.00 -0.55 0.00 0.00 41.25 38.82 1j8r s ASN 116 CO 0.00 -0.59 1.36 0.18 -2.79 0.00 0.00 177.10 175.26 1j8r n LEU 117 N 6.08 3.01 -2.77 3.21 4.77 0.51 -4.40 117.00 127.41 1j8r n LEU 117 Ca -0.00 -1.51 -0.09 0.00 -0.03 0.00 0.00 56.01 54.37 1j8r n LEU 117 Cb 0.49 -0.40 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1j8r n LEU 117 CO 0.49 0.63 0.25 0.00 -1.33 0.00 0.00 177.39 177.43 1j8r s GLN 119 N 0.26 3.98 0.47 0.00 -0.21 -1.26 -5.00 119.66 117.91 1j8r s GLN 119 Ca 0.27 2.29 -0.06 0.00 0.02 0.00 0.00 55.36 57.88 1j8r s GLN 119 Cb 0.27 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 1j8r s GLN 119 CO -0.12 -0.53 0.80 0.15 -2.12 0.00 0.00 175.29 173.46 1j8r s LYS 120 N -2.20 3.59 0.22 2.91 1.02 -1.26 -4.88 119.74 119.14 1j8r s LYS 120 Ca 0.56 0.28 -0.31 0.00 0.02 0.00 0.00 55.97 56.52 1j8r s LYS 120 Cb -0.41 -2.36 -0.15 0.00 -0.52 0.00 0.00 37.83 34.39 1j8r s LYS 120 CO 0.54 -0.19 1.11 -2.30 -0.92 0.00 0.00 175.35 173.59 1j8r n PRO 121 N -2.11 1.30 0.00 -1.68 -0.02 -1.26 -1.23 135.00 129.99 1j8r n PRO 121 Ca 0.01 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1j8r n PRO 121 Cb 0.55 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1j8r n PRO 121 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j8r n GLY 122 N 1.72 3.26 3.78 -1.23 0.00 0.37 -4.95 105.19 108.14 1j8r n GLY 122 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1j8r n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j8r s GLU 123 N -0.54 2.80 0.29 1.61 0.41 -0.37 -4.69 118.70 118.22 1j8r s GLU 123 Ca 0.00 1.29 0.05 0.00 -0.41 0.00 0.00 54.97 55.90 1j8r s GLU 123 Cb 0.00 -1.96 -0.06 0.00 -1.78 0.00 0.00 34.13 30.33 1j8r s GLU 123 CO 0.00 -1.24 -0.01 0.96 -0.49 0.00 0.00 175.26 174.48 1j8r s ILE 124 N -2.51 1.44 0.06 -1.63 -4.36 -1.26 -0.40 121.20 112.54 1j8r s ILE 124 Ca 0.65 -2.07 -0.26 0.00 -0.26 0.00 0.00 60.65 58.71 1j8r s ILE 124 Cb -0.19 -2.56 0.09 0.00 1.25 0.00 0.00 42.46 41.05 1j8r s ILE 124 CO 0.44 -0.20 0.77 0.28 0.24 0.00 0.00 174.94 176.47 1j8r s THR 125 N -3.14 0.00 -0.20 8.37 -1.32 -0.66 -4.99 115.64 113.69 1j8r s THR 125 Ca 0.32 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.66 1j8r s THR 125 Cb 0.06 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.00 1j8r s THR 125 CO 0.13 0.00 0.28 -0.60 -2.21 0.00 0.00 174.62 172.22 1j8r s ARG 126 N -3.38 4.17 -0.28 7.08 3.52 -1.26 -0.53 118.95 128.27 1j8r s ARG 126 Ca 0.03 0.00 -0.10 0.00 -0.13 0.00 0.00 55.73 55.54 1j8r s ARG 126 Cb -0.01 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1j8r s ARG 126 CO -0.11 0.09 0.15 -0.51 -0.81 0.00 0.00 175.30 174.11 1j8r s LEU 127 N 0.93 3.85 0.00 -0.88 1.43 -0.06 -4.95 118.68 119.00 1j8r s LEU 127 Ca 0.14 -0.16 0.20 0.00 -1.03 0.00 0.00 54.13 53.27 1j8r s LEU 127 Cb -0.14 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1j8r s LEU 127 CO 0.05 -0.07 1.00 0.35 0.23 0.00 0.00 176.35 177.91 1j8r n THR 128 N 5.01 0.00 -1.97 5.49 -2.24 -1.26 -1.50 114.28 117.81 1j8r n THR 128 Ca -0.15 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 1j8r n THR 128 Cb 0.51 1.26 0.03 0.00 -2.10 0.00 0.00 70.33 70.03 1j8r n THR 128 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1j8r s GLU 129 N -2.10 2.99 -0.03 -0.78 8.01 -1.26 -4.86 118.70 120.67 1j8r s GLU 129 Ca 0.17 1.59 0.07 0.00 0.01 0.00 0.00 54.97 56.82 1j8r s GLU 129 Cb 0.16 -1.96 -0.02 0.00 -4.31 0.00 0.00 34.13 28.00 1j8r s GLU 129 CO 0.45 -1.14 -0.25 0.21 0.01 0.00 0.00 175.26 174.54 1j8r s LYS 130 N -3.62 2.15 0.27 1.61 2.47 -1.26 -4.27 119.74 117.09 1j8r s LYS 130 Ca 0.72 -0.90 0.05 0.00 -1.56 0.00 0.00 55.97 54.28 1j8r s LYS 130 Cb -0.24 -2.01 -0.06 0.00 -1.46 0.00 0.00 37.83 34.06 1j8r s LYS 130 CO 0.35 0.50 -0.01 -0.06 0.16 0.00 0.00 175.35 176.28 1j8r s PHE 131 N -0.48 1.79 0.78 4.03 0.40 -1.26 -5.13 117.98 118.11 1j8r s PHE 131 Ca 0.06 -0.84 -0.14 0.00 -0.60 0.00 0.00 56.93 55.41 1j8r s PHE 131 Cb -0.11 -1.06 0.06 0.00 0.51 0.00 0.00 43.02 42.42 1j8r s PHE 131 CO 0.00 0.10 1.18 -3.47 0.70 0.00 0.00 175.22 173.73 1j8r n ASP 132 N -0.54 1.08 -4.83 1.36 2.03 -1.26 -4.30 116.55 110.10 1j8r n ASP 132 Ca -0.05 0.62 -0.29 0.00 0.52 0.00 0.00 54.79 55.59 1j8r n ASP 132 Cb 0.64 -1.50 0.09 0.00 -0.72 0.00 0.00 41.12 39.63 1j8r n ASP 132 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1j8r s ASP 133 N -1.97 4.42 -0.05 1.67 1.01 -1.26 -4.45 116.67 116.03 1j8r s ASP 133 Ca 0.74 1.08 0.00 0.00 0.71 0.00 0.00 52.55 55.09 1j8r s ASP 133 Cb -0.31 -1.74 0.02 0.00 1.01 0.00 0.00 42.92 41.91 1j8r s ASP 133 CO 0.49 -1.99 -0.02 -0.63 0.21 0.00 0.00 175.17 173.23 1j8r s ILE 134 N -3.31 0.46 -0.17 0.77 1.01 -0.07 -4.34 121.20 115.56 1j8r s ILE 134 Ca 0.61 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 61.18 1j8r s ILE 134 Cb -0.13 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1j8r s ILE 134 CO 0.52 0.23 0.03 -0.63 0.00 0.00 0.00 174.94 175.10 1j8r s ILE 135 N 1.33 4.52 0.31 2.92 1.01 0.22 -0.52 121.20 130.99 1j8r s ILE 135 Ca -0.05 -0.13 0.10 0.00 0.00 0.00 0.00 60.65 60.57 1j8r s ILE 135 Cb -0.13 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 1j8r s ILE 135 CO -0.02 0.47 -0.06 -0.36 0.00 0.00 0.00 174.94 174.97 1j8r s PHE 136 N 0.37 2.50 0.08 3.97 0.40 -0.30 -0.22 117.98 124.77 1j8r s PHE 136 Ca 0.01 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1j8r s PHE 136 Cb -0.13 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 1j8r s PHE 136 CO 0.01 0.59 -0.12 -1.59 0.70 0.00 0.00 175.22 174.81 1j8r s LYS 137 N -3.64 0.79 -0.05 0.44 -2.85 0.01 -0.72 119.74 113.71 1j8r s LYS 137 Ca 0.32 -0.99 0.06 0.00 -1.00 0.00 0.00 55.97 54.36 1j8r s LYS 137 Cb -0.03 -0.66 -0.01 0.00 -2.06 0.00 0.00 37.83 35.07 1j8r s LYS 137 CO 0.18 0.13 -0.24 0.08 0.10 0.00 0.00 175.35 175.61 1j8r s VAL 138 N -1.66 1.94 -0.20 1.79 1.01 -0.01 -0.86 120.40 122.41 1j8r s VAL 138 Ca -0.01 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.85 1j8r s VAL 138 Cb -0.08 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1j8r s VAL 138 CO 0.01 0.54 0.23 0.00 0.00 0.00 0.00 175.10 175.89 1j8r s ALA 139 N -0.13 3.62 -0.09 5.51 0.00 0.30 -3.43 121.76 127.54 1j8r s ALA 139 Ca -0.04 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 1j8r s ALA 139 Cb -0.13 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.58 1j8r s ALA 139 CO 0.03 -0.02 0.26 -0.51 0.00 0.00 0.00 175.76 175.52 1j8r s LEU 140 N 0.72 4.39 0.29 0.00 1.43 -1.26 -1.80 118.68 122.45 1j8r s LEU 140 Ca 0.12 0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 53.58 1j8r s LEU 140 Cb -0.13 -2.31 -0.10 0.00 0.03 0.00 0.00 46.19 43.69 1j8r s LEU 140 CO 0.03 0.32 1.22 -2.16 0.23 0.00 0.00 176.35 176.00 1j8r s PRO 141 N -0.76 4.47 0.53 1.29 0.04 -1.26 -4.87 135.00 134.44 1j8r s PRO 141 Ca 0.18 2.02 0.23 0.00 0.04 0.00 0.00 61.00 63.47 1j8r s PRO 141 Cb -0.14 -3.14 1.38 0.00 0.04 0.00 0.00 34.50 32.64 1j8r s PRO 141 CO 0.07 -0.04 2.05 0.00 0.04 0.00 0.00 177.00 179.12 1j8r h ALA 142 N 3.88 2.30 -0.18 8.56 0.00 -1.97 -1.40 119.26 130.45 1j8r h ALA 142 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1j8r h ALA 142 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j8r h ALA 142 CO 0.68 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 1j8r n ASP 143 N -4.38 1.14 -4.69 0.00 5.75 -1.26 -4.91 116.55 108.21 1j8r n ASP 143 Ca 0.05 -2.03 -0.42 0.00 -0.01 0.00 0.00 54.79 52.38 1j8r n ASP 143 Cb 0.44 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 1j8r n ASP 143 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1j8r s LEU 144 N -0.96 4.36 0.65 -2.12 2.96 -0.53 -4.96 118.68 118.08 1j8r s LEU 144 Ca 0.13 2.46 -0.18 0.00 -0.22 0.00 0.00 54.13 56.31 1j8r s LEU 144 Cb 0.07 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 1j8r s LEU 144 CO 0.08 -0.88 1.28 -2.65 -1.32 0.00 0.00 176.35 172.86 1j8r n PRO 145 N 5.66 1.11 -1.47 0.98 -0.02 -1.26 -4.96 135.00 135.04 1j8r n PRO 145 Ca 0.16 0.44 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1j8r n PRO 145 Cb 0.41 -2.52 0.08 0.00 -0.02 0.00 0.00 33.50 31.45 1j8r n PRO 145 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1j8r s LEU 146 N -4.22 3.21 0.00 2.45 2.01 -1.26 -4.82 118.68 116.05 1j8r s LEU 146 Ca 0.82 1.97 0.00 0.00 0.01 0.00 0.00 54.13 56.93 1j8r s LEU 146 Cb -0.38 -4.54 0.00 0.00 0.01 0.00 0.00 46.19 41.27 1j8r s LEU 146 CO 0.41 -1.93 0.00 0.61 1.01 0.00 0.00 176.35 176.45 1j8r n GLY 147 N -0.68 0.91 3.75 -3.19 0.00 -0.58 -4.93 105.19 100.49 1j8r n GLY 147 Ca 0.10 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.58 1j8r n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j8r s ASP 148 N -0.42 7.62 0.01 1.61 1.11 -1.26 -0.50 116.67 124.85 1j8r s ASP 148 Ca 0.00 1.91 0.05 0.00 0.18 0.00 0.00 52.55 54.70 1j8r s ASP 148 Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 1j8r s ASP 148 CO 0.00 0.16 -0.16 -0.31 1.18 0.00 0.00 175.17 176.04 1j8r s TYR 149 N -1.15 1.43 -0.34 4.23 1.51 0.15 -4.95 117.35 118.22 1j8r s TYR 149 Ca 0.41 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 56.15 1j8r s TYR 149 Cb -0.26 -0.88 0.12 0.00 -0.11 0.00 0.00 41.96 40.83 1j8r s TYR 149 CO 0.31 0.02 0.18 0.45 -1.11 0.00 0.00 175.55 175.40 1j8r s SER 150 N -0.75 3.37 -0.27 2.29 0.15 -1.25 -1.73 113.70 115.52 1j8r s SER 150 Ca 0.05 -1.94 -0.12 0.00 0.70 0.00 0.00 55.95 54.64 1j8r s SER 150 Cb -0.07 -0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 63.65 1j8r s SER 150 CO 0.00 -0.35 0.25 -0.69 1.20 0.00 0.00 173.24 173.65 1j8r s VAL 151 N 1.31 5.27 -0.30 4.45 1.01 0.22 -4.85 120.40 127.52 1j8r s VAL 151 Ca 0.14 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.18 1j8r s VAL 151 Cb -0.21 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1j8r s VAL 151 CO -0.13 0.23 0.89 -0.54 0.00 0.00 0.00 175.10 175.56 1j8r s LYS 152 N 1.77 4.03 -0.37 2.72 1.02 -1.26 -0.03 119.74 127.62 1j8r s LYS 152 Ca 0.10 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.90 1j8r s LYS 152 Cb -0.16 -3.72 0.10 0.00 -0.52 0.00 0.00 37.83 33.54 1j8r s LYS 152 CO 0.10 -0.73 0.12 0.42 -0.92 0.00 0.00 175.35 174.34 1j8r s ILE 153 N 3.17 2.85 0.31 2.17 1.01 -1.26 -5.01 121.20 124.43 1j8r s ILE 153 Ca 0.37 -2.09 -0.28 0.00 0.00 0.00 0.00 60.65 58.65 1j8r s ILE 153 Cb -0.14 -2.96 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 1j8r s ILE 153 CO 0.12 -0.58 1.04 -2.84 0.00 0.00 0.00 174.94 172.68 1j8r s PRO 154 N 1.06 4.54 0.21 2.79 0.02 -1.26 -4.30 135.00 138.07 1j8r s PRO 154 Ca 0.08 1.61 -0.16 0.00 0.02 0.00 0.00 61.00 62.55 1j8r s PRO 154 Cb -0.21 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.34 1j8r s PRO 154 CO -0.05 0.18 0.51 1.52 -0.33 0.00 0.00 177.00 178.82 1j8r s TYR 155 N -1.36 0.04 -0.10 6.54 -0.85 -0.76 -4.51 117.35 116.36 1j8r s TYR 155 Ca 0.48 -0.41 -0.02 0.00 -0.52 0.00 0.00 57.07 56.60 1j8r s TYR 155 Cb -0.27 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 1j8r s TYR 155 CO 0.34 -0.95 0.00 0.99 -1.52 0.00 0.00 175.55 174.41 1j8r s THR 156 N -3.92 4.29 -0.02 -3.49 2.01 -0.53 -1.31 115.64 112.68 1j8r s THR 156 Ca 0.13 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 1j8r s THR 156 Cb -0.01 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.69 1j8r s THR 156 CO 0.01 0.58 0.16 -0.94 -0.69 0.00 0.00 174.62 173.75 1j8r s SER 157 N -0.65 -0.05 0.00 3.53 1.04 -1.26 -0.65 113.70 115.66 1j8r s SER 157 Ca 0.10 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1j8r s SER 157 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1j8r s SER 157 CO 0.02 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1j8r n GLY 158 N 1.85 -0.33 3.15 7.32 0.00 -0.42 -0.99 105.19 115.77 1j8r n GLY 158 Ca -0.20 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1j8r n GLY 158 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j8r s GLN 160 N 0.00 0.30 -0.19 1.61 0.74 0.42 -0.84 119.66 121.69 1j8r s GLN 160 Ca 0.00 0.88 -0.03 0.00 0.05 0.00 0.00 55.36 56.27 1j8r s GLN 160 Cb 0.00 0.10 -0.01 0.00 1.10 0.00 0.00 33.01 34.20 1j8r s GLN 160 CO 0.00 -0.34 -0.07 1.03 -0.55 0.00 0.00 175.29 175.37 1j8r s ARG 161 N 2.57 3.39 -0.22 1.67 0.52 0.25 -1.26 118.95 125.87 1j8r s ARG 161 Ca 0.02 -0.64 -0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1j8r s ARG 161 Cb -0.13 -2.90 0.02 0.00 0.52 0.00 0.00 34.95 32.46 1j8r s ARG 161 CO -0.13 -0.07 -0.12 -1.58 0.02 0.00 0.00 175.30 173.42 1j8r s HIS 162 N 1.12 2.96 -0.09 -0.53 5.65 -0.27 -0.38 115.29 123.75 1j8r s HIS 162 Ca 0.01 -1.58 -0.01 0.00 0.25 0.00 0.00 55.06 53.73 1j8r s HIS 162 Cb -0.15 -2.00 -0.03 0.00 -1.18 0.00 0.00 32.58 29.23 1j8r s HIS 162 CO -0.01 -0.75 -0.03 -0.06 -0.65 0.00 0.00 174.74 173.23 1j8r s PHE 163 N 1.31 3.04 0.06 3.88 0.40 0.96 -0.98 117.98 126.65 1j8r s PHE 163 Ca 0.02 0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.36 1j8r s PHE 163 Cb -0.15 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 1j8r s PHE 163 CO -0.08 0.33 0.04 0.00 0.70 0.00 0.00 175.22 176.21 1j8r s ALA 164 N -0.65 0.24 -2.07 5.36 0.00 -0.46 -0.28 121.76 123.90 1j8r s ALA 164 Ca 0.10 -0.95 0.30 0.00 0.00 0.00 0.00 51.96 51.42 1j8r s ALA 164 Cb -0.12 0.31 1.51 0.00 0.00 0.00 0.00 23.12 24.82 1j8r s ALA 164 CO 0.02 -0.38 2.01 -1.13 0.00 0.00 0.00 175.76 176.27 1j8r n SER 165 N 0.25 0.54 -4.07 0.00 3.41 -1.04 -0.26 113.62 112.46 1j8r n SER 165 Ca -0.16 -1.04 -0.07 0.00 -0.26 0.00 0.00 58.87 57.34 1j8r n SER 165 Cb 0.61 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1j8r n SER 165 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1j8r s TYR 166 N -2.11 0.49 0.23 7.33 -0.85 -1.26 -4.89 117.35 116.29 1j8r s TYR 166 Ca 0.41 -1.03 -0.30 0.00 -0.52 0.00 0.00 57.07 55.63 1j8r s TYR 166 Cb 0.21 -0.36 -0.09 0.00 0.38 0.00 0.00 41.96 42.11 1j8r s TYR 166 CO 0.38 -0.40 0.95 -1.17 -1.52 0.00 0.00 175.55 173.79 1j8r s LEU 167 N -2.92 4.63 0.00 -3.49 2.96 -1.26 -3.60 118.68 115.01 1j8r s LEU 167 Ca 0.07 1.96 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1j8r s LEU 167 Cb 0.08 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1j8r s LEU 167 CO -0.10 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.66 1j8r n GLY 168 N 1.52 0.79 3.72 7.98 0.00 -1.26 -5.04 105.19 112.91 1j8r n GLY 168 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1j8r n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j8r s ALA 169 N -2.08 3.61 -0.02 4.61 0.00 -1.24 -5.01 121.76 121.63 1j8r s ALA 169 Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1j8r s ALA 169 Cb 0.00 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1j8r s ALA 169 CO 0.00 -0.64 -0.05 1.03 0.00 0.00 0.00 175.76 176.10 1j8r s ARG 170 N 0.75 0.64 -0.23 0.00 1.81 -1.26 -4.69 118.95 115.97 1j8r s ARG 170 Ca 0.64 -0.17 -0.19 0.00 -1.72 0.00 0.00 55.73 54.29 1j8r s ARG 170 Cb -0.38 -0.64 0.06 0.00 -0.45 0.00 0.00 34.95 33.54 1j8r s ARG 170 CO 0.33 0.04 0.61 0.12 -0.68 0.00 0.00 175.30 175.71 1j8r s PHE 171 N 0.33 -0.74 -0.06 -0.53 5.36 -1.26 -5.15 117.98 115.94 1j8r s PHE 171 Ca -0.04 1.70 0.03 0.00 -0.96 0.00 0.00 56.93 57.65 1j8r s PHE 171 Cb -0.08 0.31 0.01 0.00 -0.34 0.00 0.00 43.02 42.92 1j8r s PHE 171 CO -0.00 -0.36 -0.12 0.15 -1.46 0.00 0.00 175.22 173.42 1j8r s LYS 172 N 0.69 1.56 0.24 10.12 1.02 -1.26 -5.02 119.74 127.09 1j8r s LYS 172 Ca -0.03 -0.41 -0.31 0.00 0.02 0.00 0.00 55.97 55.24 1j8r s LYS 172 Cb -0.05 -1.32 -0.12 0.00 -0.52 0.00 0.00 37.83 35.82 1j8r s LYS 172 CO -0.05 0.06 1.69 0.42 -0.92 0.00 0.00 175.35 176.55 1j8r s ILE 173 N 0.52 2.00 0.35 2.17 1.01 -1.26 -4.89 121.20 121.10 1j8r s ILE 173 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 60.65 60.26 1j8r s ILE 173 Cb -0.14 -3.00 -0.12 0.00 0.01 0.00 0.00 42.46 39.21 1j8r s ILE 173 CO 0.03 0.00 1.42 -2.65 0.00 0.00 0.00 174.94 173.74 1j8r n PRO 174 N 3.35 2.45 -0.35 2.79 -0.02 -1.26 -4.79 135.00 137.17 1j8r n PRO 174 Ca 0.13 0.86 0.08 0.00 -2.02 0.00 0.00 63.50 62.55 1j8r n PRO 174 Cb 0.36 -2.54 0.25 0.00 -0.02 0.00 0.00 33.50 31.55 1j8r n PRO 174 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1j8r h TYR 175 N 3.01 1.12 0.00 6.00 -1.99 -1.99 0.37 116.97 123.49 1j8r h TYR 175 Ca -0.48 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.25 1j8r h TYR 175 Cb 1.26 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 39.63 1j8r h TYR 175 CO 0.53 0.43 -0.12 -2.95 -0.00 0.00 0.00 178.16 176.05 1j8r h ASN 176 N 0.96 0.00 0.02 3.88 7.08 -2.00 0.12 115.58 125.65 1j8r h ASN 176 Ca 0.50 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.69 1j8r h ASN 176 Cb 0.52 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 1j8r h ASN 176 CO -0.27 0.12 -0.10 0.58 -2.08 0.00 0.00 177.43 175.68 1j8r h VAL 177 N 0.00 1.76 -0.85 6.14 2.07 -1.35 -3.33 116.25 120.70 1j8r h VAL 177 Ca -0.00 -2.37 0.14 0.00 0.82 0.00 0.00 66.70 65.29 1j8r h VAL 177 Cb 0.25 3.37 -0.09 0.00 -1.52 0.00 0.00 31.29 33.30 1j8r h VAL 177 CO 0.02 0.62 0.45 0.00 0.02 0.00 0.00 177.57 178.67 1j8r h ALA 178 N 0.01 1.26 0.00 1.67 0.00 -0.72 0.67 119.26 122.15 1j8r h ALA 178 Ca -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j8r h ALA 178 Cb 1.08 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1j8r h ALA 178 CO 0.02 -0.05 -0.02 1.57 0.00 0.00 0.00 179.25 180.77 1j8r h LYS 179 N 0.66 0.00 -0.01 0.00 2.10 -0.89 -1.85 116.57 116.58 1j8r h LYS 179 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1j8r h LYS 179 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1j8r h LYS 179 CO -0.34 0.02 -0.60 2.41 -2.00 0.00 0.00 179.45 178.94 1j8r n THR 180 N -3.60 0.00 -1.72 0.07 -1.04 0.20 -4.98 114.28 103.21 1j8r n THR 180 Ca -0.03 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.52 1j8r n THR 180 Cb 0.10 0.77 0.07 0.00 -1.82 0.00 0.00 70.33 69.45 1j8r n THR 180 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1j8r s LEU 181 N -2.76 3.55 0.29 -4.42 1.43 -0.70 -4.89 118.68 111.18 1j8r s LEU 181 Ca 0.15 2.60 -0.29 0.00 -1.03 0.00 0.00 54.13 55.55 1j8r s LEU 181 Cb 0.18 -4.62 -0.13 0.00 0.03 0.00 0.00 46.19 41.65 1j8r s LEU 181 CO 0.68 -2.03 1.28 -2.65 0.23 0.00 0.00 176.35 173.87 1j8r n PRO 182 N -1.97 1.93 -3.37 1.29 -0.02 -1.26 -4.89 135.00 126.70 1j8r n PRO 182 Ca 0.16 0.68 -0.45 0.00 -2.02 0.00 0.00 63.50 61.87 1j8r n PRO 182 Cb 0.48 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1j8r n PRO 182 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1j8r s ARG 183 N -1.22 3.77 0.10 -0.52 0.52 -1.26 -4.60 118.95 115.74 1j8r s ARG 183 Ca 0.61 -2.83 0.25 0.00 -0.52 0.00 0.00 55.73 53.25 1j8r s ARG 183 Cb -0.63 -4.41 0.57 0.00 0.52 0.00 0.00 34.95 31.00 1j8r s ARG 183 CO 0.57 -1.26 1.50 0.39 0.02 0.00 0.00 175.30 176.52 1j8r n GLU 184 N 3.32 0.20 -2.61 3.54 1.02 -1.13 -4.26 120.64 120.71 1j8r n GLU 184 Ca 0.18 0.09 -0.27 0.00 -0.02 0.00 0.00 57.16 57.14 1j8r n GLU 184 Cb 0.43 -1.66 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1j8r n GLU 184 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1j8r s ASN 185 N -3.93 6.10 0.00 1.62 0.01 -0.43 -4.17 114.94 114.15 1j8r s ASN 185 Ca 0.09 0.84 0.00 0.00 -0.71 0.00 0.00 52.86 53.08 1j8r s ASN 185 Cb 0.15 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.71 1j8r s ASN 185 CO 0.67 -0.68 0.00 1.21 -1.51 0.00 0.00 177.10 176.79 1j8r n GLU 186 N -2.31 0.00 -3.15 -0.60 2.13 -0.73 -1.83 120.64 114.15 1j8r n GLU 186 Ca 0.01 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.88 1j8r n GLU 186 Cb 0.56 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.27 1j8r n GLU 186 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1j8r s LEU 188 N 0.00 -1.34 -0.26 4.31 2.96 0.27 -0.59 118.68 124.03 1j8r s LEU 188 Ca 0.00 0.18 -0.22 0.00 -0.22 0.00 0.00 54.13 53.87 1j8r s LEU 188 Cb 0.00 1.86 -0.01 0.00 0.50 0.00 0.00 46.19 48.54 1j8r s LEU 188 CO 0.00 -0.24 0.69 0.12 -1.32 0.00 0.00 176.35 175.60 1j8r s PHE 189 N 2.86 3.27 -0.00 5.38 5.36 0.96 -1.95 117.98 133.86 1j8r s PHE 189 Ca 0.14 0.87 0.02 0.00 -0.96 0.00 0.00 56.93 57.00 1j8r s PHE 189 Cb -0.08 -2.94 -0.03 0.00 -0.34 0.00 0.00 43.02 39.62 1j8r s PHE 189 CO -0.25 -0.38 -0.02 -0.51 -1.46 0.00 0.00 175.22 172.60 1j8r s LEU 190 N 2.64 3.39 -0.20 6.12 1.43 -0.60 0.72 118.68 132.18 1j8r s LEU 190 Ca 0.29 -0.05 -0.35 0.00 -1.03 0.00 0.00 54.13 52.99 1j8r s LEU 190 Cb -0.15 -1.93 0.14 0.00 0.03 0.00 0.00 46.19 44.28 1j8r s LEU 190 CO 0.09 0.29 1.23 0.72 0.23 0.00 0.00 176.35 178.90 1j8r s PHE 191 N -1.04 -0.12 -0.18 0.29 -0.12 -0.71 -0.25 117.98 115.85 1j8r s PHE 191 Ca 0.18 0.09 0.00 0.00 -0.05 0.00 0.00 56.93 57.15 1j8r s PHE 191 Cb -0.11 0.51 0.01 0.00 -0.63 0.00 0.00 43.02 42.80 1j8r s PHE 191 CO 0.09 -0.18 -0.17 0.21 -0.05 0.00 0.00 175.22 175.12 1j8r s LYS 192 N -2.26 3.08 -0.49 1.99 2.20 0.54 0.34 119.74 125.15 1j8r s LYS 192 Ca 0.09 -0.79 -0.26 0.00 -0.36 0.00 0.00 55.97 54.65 1j8r s LYS 192 Cb -0.01 -2.65 0.03 0.00 -1.51 0.00 0.00 37.83 33.69 1j8r s LYS 192 CO -0.04 -0.18 1.01 1.21 -0.36 0.00 0.00 175.35 176.98 1j8r s ASN 193 N 1.28 6.50 -0.06 1.43 2.47 0.35 -0.47 114.94 126.43 1j8r s ASN 193 Ca 0.04 0.13 0.16 0.00 0.42 0.00 0.00 52.86 53.62 1j8r s ASN 193 Cb -0.14 -2.48 0.58 0.00 -1.45 0.00 0.00 41.25 37.77 1j8r s ASN 193 CO -0.10 -1.17 1.48 2.30 -3.72 0.00 0.00 177.10 175.89 1j8r n ILE 194 N 6.53 1.29 0.00 -5.21 -5.35 -0.03 -1.52 119.36 115.07 1j8r n ILE 194 Ca 0.07 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 1j8r n ILE 194 Cb 0.49 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1j8r n ILE 194 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j8r n GLY 195 N 1.16 0.03 0.00 3.28 0.00 -1.26 -5.00 105.19 103.41 1j8r n GLY 195 Ca 0.21 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1j8r n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93