#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8s s LEU 3 N 0.00 4.09 -0.33 1.04 1.98 -1.26 -4.99 118.68 119.21 1u8s s LEU 3 Ca 0.00 -0.95 -0.29 0.00 -2.89 0.00 0.00 54.13 50.00 1u8s s LEU 3 Cb 0.00 -2.46 -0.00 0.00 0.66 0.00 0.00 46.19 44.39 1u8s s LEU 3 CO 0.00 -1.52 1.43 0.42 -1.89 0.00 0.00 176.35 174.80 1u8s s THR 4 N 4.43 3.92 -0.08 3.68 -4.23 -1.26 -4.02 115.64 118.07 1u8s s THR 4 Ca 0.27 1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.70 1u8s s THR 4 Cb -0.13 -4.06 -0.04 0.00 1.34 0.00 0.00 72.50 69.60 1u8s s THR 4 CO 0.09 -0.55 0.20 -1.58 -0.54 0.00 0.00 174.62 172.24 1u8s s GLN 5 N 4.67 3.53 0.00 3.99 2.00 0.25 -4.83 119.66 129.27 1u8s s GLN 5 Ca 0.63 -0.05 0.00 0.00 -2.00 0.00 0.00 55.36 53.94 1u8s s GLN 5 Cb -0.17 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 1u8s s GLN 5 CO 0.29 0.75 0.06 -1.01 -0.50 0.00 0.00 175.29 174.87 1u8s s HIS 6 N -1.08 3.22 0.03 1.67 3.76 -1.26 -0.42 115.29 121.21 1u8s s HIS 6 Ca 0.18 0.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.27 1u8s s HIS 6 Cb -0.13 -1.71 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 1u8s s HIS 6 CO 0.08 0.53 -0.06 -1.17 -0.85 0.00 0.00 174.74 173.26 1u8s s LEU 7 N -1.74 2.21 -0.14 0.89 2.96 0.81 -2.32 118.68 121.35 1u8s s LEU 7 Ca 0.22 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1u8s s LEU 7 Cb -0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 1u8s s LEU 7 CO 0.13 -0.17 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.19 1u8s s VAL 8 N -1.16 3.23 -0.04 1.68 1.01 -0.41 -0.69 120.40 124.03 1u8s s VAL 8 Ca -0.09 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1u8s s VAL 8 Cb -0.08 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1u8s s VAL 8 CO 0.00 0.51 -0.22 -0.63 0.00 0.00 0.00 175.10 174.77 1u8s s ILE 9 N 0.41 2.42 -0.04 2.22 1.01 0.29 -1.68 121.20 125.84 1u8s s ILE 9 Ca -0.09 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.63 1u8s s ILE 9 Cb -0.15 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1u8s s ILE 9 CO 0.05 0.58 -0.14 -0.89 0.00 0.00 0.00 174.94 174.53 1u8s s THR 10 N -0.59 1.22 -0.09 2.92 2.01 0.74 -0.54 115.64 121.31 1u8s s THR 10 Ca 0.09 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.39 1u8s s THR 10 Cb -0.11 -1.06 0.03 0.00 0.01 0.00 0.00 72.50 71.36 1u8s s THR 10 CO 0.00 0.36 0.28 0.00 -0.69 0.00 0.00 174.62 174.57 1u8s s ALA 11 N 0.15 -0.69 -0.03 7.40 0.00 -0.90 -1.31 121.76 126.38 1u8s s ALA 11 Ca -0.05 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 1u8s s ALA 11 Cb -0.11 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1u8s s ALA 11 CO 0.02 -0.15 0.03 0.08 0.00 0.00 0.00 175.76 175.74 1u8s s VAL 12 N -0.10 -0.02 0.07 0.00 1.01 -0.54 -1.70 120.40 119.11 1u8s s VAL 12 Ca -0.02 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 1u8s s VAL 12 Cb -0.03 -0.16 0.05 0.00 0.00 0.00 0.00 36.38 36.25 1u8s s VAL 12 CO 0.01 0.14 0.52 -0.83 0.00 0.00 0.00 175.10 174.94 1u8s s GLY 13 N 1.51 -0.45 -0.03 4.51 0.00 -0.81 -0.16 107.32 111.89 1u8s s GLY 13 Ca -0.03 0.52 -0.31 0.00 0.00 0.00 0.00 44.72 44.89 1u8s s GLY 13 CO -0.03 0.21 1.99 2.41 0.00 0.00 0.00 173.10 177.69 1u8s n THR 14 N 0.20 0.67 -1.68 0.90 -1.04 -1.26 0.34 114.28 112.40 1u8s n THR 14 Ca -0.18 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 1u8s n THR 14 Cb 0.61 -2.24 -0.03 0.00 -1.82 0.00 0.00 70.33 66.85 1u8s n THR 14 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1u8s n ASP 15 N 7.92 4.07 -3.97 8.00 2.03 -0.44 -4.75 116.55 129.42 1u8s n ASP 15 Ca 0.22 0.97 -0.09 0.00 0.52 0.00 0.00 54.79 56.41 1u8s n ASP 15 Cb 0.38 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.14 1u8s n ASP 15 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u8s s ARG 16 N 3.14 0.45 0.10 -0.67 1.70 -1.26 -4.96 118.95 117.46 1u8s s ARG 16 Ca 0.84 -0.70 -0.05 0.00 -0.47 0.00 0.00 55.73 55.34 1u8s s ARG 16 Cb -0.47 0.17 0.13 0.00 -0.57 0.00 0.00 34.95 34.21 1u8s s ARG 16 CO 0.39 -0.09 0.61 -2.30 -1.08 0.00 0.00 175.30 172.82 1u8s n PRO 17 N 1.14 -0.07 -0.25 3.89 -0.02 -1.26 -2.13 135.00 136.30 1u8s n PRO 17 Ca -0.21 0.60 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1u8s n PRO 17 Cb 0.57 -0.90 0.18 0.00 -0.02 0.00 0.00 33.50 33.33 1u8s n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u8s n GLY 18 N -1.21 4.04 0.22 -1.23 0.00 -1.26 -4.73 105.19 101.02 1u8s n GLY 18 Ca 0.05 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1u8s n GLY 18 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1u8s h ILE 19 N 1.08 0.88 0.00 -0.61 6.09 -1.81 -1.16 117.51 121.98 1u8s h ILE 19 Ca 0.00 -0.16 -0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1u8s h ILE 19 Cb 1.12 0.37 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 1u8s h ILE 19 CO 0.10 0.09 -0.00 0.00 -3.07 0.00 0.00 178.15 175.26 1u8s h ASN 21 N 0.00 -0.48 -0.88 0.00 -0.26 -1.54 -2.95 115.58 109.47 1u8s h ASN 21 Ca -0.00 -0.11 0.11 0.00 -0.56 0.00 0.00 56.30 55.74 1u8s h ASN 21 Cb 0.53 0.12 -0.07 0.00 -1.06 0.00 0.00 38.32 37.84 1u8s h ASN 21 CO 0.00 -0.08 0.57 -0.33 -1.06 0.00 0.00 177.43 176.53 1u8s h GLU 22 N -0.96 0.81 0.54 0.81 5.08 -1.47 0.33 114.58 119.72 1u8s h GLU 22 Ca -0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1u8s h GLU 22 Cb 0.56 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1u8s h GLU 22 CO 0.09 0.54 -0.26 0.28 -1.00 0.00 0.00 179.01 178.66 1u8s h VAL 23 N 0.84 0.45 0.00 3.13 2.07 -1.55 0.59 116.25 121.78 1u8s h VAL 23 Ca 0.42 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 1u8s h VAL 23 Cb 0.47 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1u8s h VAL 23 CO -0.18 0.02 -0.20 -0.37 0.02 0.00 0.00 177.57 176.86 1u8s h VAL 24 N -0.81 0.52 0.08 2.57 -1.51 -1.31 -1.67 116.25 114.12 1u8s h VAL 24 Ca -0.07 -0.99 -0.00 0.00 -1.23 0.00 0.00 66.70 64.40 1u8s h VAL 24 Cb 0.59 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1u8s h VAL 24 CO 0.12 0.19 -0.04 -0.09 -1.23 0.00 0.00 177.57 176.53 1u8s h ARG 25 N 0.00 -0.10 -0.70 5.19 2.43 0.07 0.74 114.38 122.00 1u8s h ARG 25 Ca -0.00 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1u8s h ARG 25 Cb 0.66 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1u8s h ARG 25 CO 0.03 0.27 0.31 1.25 -1.51 0.00 0.00 179.97 180.31 1u8s h LEU 26 N -0.49 0.94 0.12 3.80 6.46 0.37 0.45 115.31 126.95 1u8s h LEU 26 Ca -0.01 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 1u8s h LEU 26 Cb 0.42 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1u8s h LEU 26 CO 0.02 0.83 -0.06 0.58 -0.62 0.00 0.00 178.44 179.19 1u8s h VAL 27 N 0.98 1.05 -0.48 1.05 2.07 -1.27 -2.60 116.25 117.06 1u8s h VAL 27 Ca 0.24 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1u8s h VAL 27 Cb 0.16 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1u8s h VAL 27 CO -0.03 0.19 -0.21 0.71 0.02 0.00 0.00 177.57 178.25 1u8s h THR 28 N -0.56 1.27 0.00 2.57 1.35 -0.85 -2.38 112.91 114.30 1u8s h THR 28 Ca -0.02 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1u8s h THR 28 Cb 0.44 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1u8s h THR 28 CO 0.03 0.47 0.00 0.00 -0.25 0.00 0.00 175.52 175.77 1u8s n GLN 29 N -4.11 0.62 0.00 4.72 6.02 0.14 -1.82 117.38 122.95 1u8s n GLN 29 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 1u8s n GLN 29 Cb 0.45 -1.44 -0.07 0.00 1.02 0.00 0.00 30.24 30.21 1u8s n GLN 29 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u8s n ALA 30 N -0.94 4.19 0.00 -1.58 0.00 -0.91 -4.96 120.51 116.31 1u8s n ALA 30 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1u8s n ALA 30 Cb 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1u8s n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8s n GLY 31 N 1.44 0.32 3.91 0.00 0.00 -0.76 -4.69 105.19 105.40 1u8s n GLY 31 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1u8s n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8s s ASN 33 N -4.19 5.28 -0.44 0.00 0.01 0.43 -4.38 114.94 111.66 1u8s s ASN 33 Ca 0.50 -0.08 -0.13 0.00 -0.71 0.00 0.00 52.86 52.44 1u8s s ASN 33 Cb -0.10 -1.35 0.07 0.00 0.41 0.00 0.00 41.25 40.28 1u8s s ASN 33 CO 0.46 0.18 0.33 -0.63 -1.51 0.00 0.00 177.10 175.92 1u8s s ILE 34 N -1.34 4.82 0.05 0.60 1.01 -1.26 -1.63 121.20 123.45 1u8s s ILE 34 Ca 0.27 -1.15 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 1u8s s ILE 34 Cb -0.12 -3.88 -0.13 0.00 0.01 0.00 0.00 42.46 38.35 1u8s s ILE 34 CO 0.20 -0.51 1.44 0.40 0.00 0.00 0.00 174.94 176.47 1u8s h ILE 35 N 5.87 1.29 -2.26 2.92 1.08 -1.47 -3.48 117.51 121.46 1u8s h ILE 35 Ca -0.26 -0.99 0.17 0.00 -0.39 0.00 0.00 64.86 63.39 1u8s h ILE 35 Cb 1.10 1.63 -0.10 0.00 -3.07 0.00 0.00 36.82 36.38 1u8s h ILE 35 CO 0.81 0.29 0.51 -0.62 -0.69 0.00 0.00 178.15 178.45 1u8s s ASP 36 N -5.88 -0.21 0.14 1.72 2.15 -1.21 -5.04 116.67 108.33 1u8s s ASP 36 Ca -0.14 -0.29 -0.25 0.00 0.43 0.00 0.00 52.55 52.29 1u8s s ASP 36 Cb 0.06 0.44 0.07 0.00 -0.30 0.00 0.00 42.92 43.18 1u8s s ASP 36 CO 0.73 -0.79 0.94 -0.94 -0.17 0.00 0.00 175.17 174.93 1u8s s SER 37 N -2.84 -0.20 -0.02 -0.34 1.04 -1.26 -2.08 113.70 108.00 1u8s s SER 37 Ca 0.11 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 1u8s s SER 37 Cb -0.01 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1u8s s SER 37 CO -0.01 -0.89 0.03 -0.13 0.98 0.00 0.00 173.24 173.21 1u8s s ARG 38 N -3.30 0.04 -0.10 4.02 1.81 0.21 -4.96 118.95 116.66 1u8s s ARG 38 Ca 0.11 0.18 0.03 0.00 -1.72 0.00 0.00 55.73 54.34 1u8s s ARG 38 Cb -0.02 -0.33 0.01 0.00 -0.45 0.00 0.00 34.95 34.16 1u8s s ARG 38 CO 0.01 -0.18 -0.20 0.42 -0.68 0.00 0.00 175.30 174.67 1u8s s ILE 39 N 1.18 1.83 0.01 1.52 1.01 -1.26 -0.65 121.20 124.83 1u8s s ILE 39 Ca -0.08 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 1u8s s ILE 39 Cb -0.13 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1u8s s ILE 39 CO -0.03 0.51 -0.00 0.00 0.00 0.00 0.00 174.94 175.42 1u8s s ALA 40 N 0.59 0.02 -0.46 9.38 0.00 -0.24 -5.02 121.76 126.04 1u8s s ALA 40 Ca -0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 1u8s s ALA 40 Cb -0.17 0.04 0.10 0.00 0.00 0.00 0.00 23.12 23.10 1u8s s ALA 40 CO 0.04 -0.06 0.33 1.41 0.00 0.00 0.00 175.76 177.48 1u8s s MET 41 N -0.51 2.57 -0.23 0.00 0.00 -1.26 -0.68 119.30 119.20 1u8s s MET 41 Ca -0.06 -1.64 -0.06 0.00 0.00 0.00 0.00 55.69 53.94 1u8s s MET 41 Cb -0.03 -3.91 -0.02 0.00 0.00 0.00 0.00 34.83 30.86 1u8s s MET 41 CO -0.00 -1.12 0.01 -0.06 0.00 0.00 0.00 175.02 173.85 1u8s s PHE 42 N 1.41 3.03 0.00 4.11 0.08 -0.75 -4.93 117.98 120.93 1u8s s PHE 42 Ca 0.05 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.47 1u8s s PHE 42 Cb -0.25 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 1u8s s PHE 42 CO 0.01 -0.40 0.00 0.41 -0.10 0.00 0.00 175.22 175.13 1u8s n GLY 43 N 4.73 2.60 1.12 4.36 0.00 -1.26 -0.65 105.19 116.09 1u8s n GLY 43 Ca -0.17 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.67 1u8s n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u8s n LYS 44 N 13.34 2.58 -3.46 1.61 4.76 -1.26 -4.99 118.16 130.74 1u8s n LYS 44 Ca 0.00 -2.37 -0.30 0.00 -2.87 0.00 0.00 58.31 52.77 1u8s n LYS 44 Cb 0.00 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.67 1u8s n LYS 44 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1u8s s GLU 45 N -1.15 3.67 -0.28 1.97 0.41 0.18 -1.33 118.70 122.16 1u8s s GLU 45 Ca 0.39 0.03 -0.09 0.00 -0.41 0.00 0.00 54.97 54.90 1u8s s GLU 45 Cb 0.21 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.83 1u8s s GLU 45 CO 0.29 0.31 0.13 0.12 -0.49 0.00 0.00 175.26 175.62 1u8s s PHE 46 N -1.90 3.15 -0.06 1.61 5.36 0.15 -1.80 117.98 124.49 1u8s s PHE 46 Ca 0.44 -0.34 0.06 0.00 -0.96 0.00 0.00 56.93 56.13 1u8s s PHE 46 Cb -0.11 -2.31 -0.01 0.00 -0.34 0.00 0.00 43.02 40.24 1u8s s PHE 46 CO 0.26 -0.34 -0.24 0.95 -1.46 0.00 0.00 175.22 174.39 1u8s s THR 47 N 1.65 2.14 -0.03 0.12 -4.23 0.14 -1.93 115.64 113.50 1u8s s THR 47 Ca 0.06 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1u8s s THR 47 Cb -0.16 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.92 1u8s s THR 47 CO 0.06 0.57 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.47 1u8s s LEU 48 N -0.13 1.33 -0.12 4.79 2.96 -0.69 -1.07 118.68 125.75 1u8s s LEU 48 Ca -0.04 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1u8s s LEU 48 Cb -0.14 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 1u8s s LEU 48 CO 0.04 -0.06 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.16 1u8s s LEU 49 N 0.83 3.02 -0.05 -0.68 1.43 0.17 -2.13 118.68 121.28 1u8s s LEU 49 Ca -0.09 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 1u8s s LEU 49 Cb -0.13 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.44 1u8s s LEU 49 CO -0.01 0.23 0.35 -0.32 0.23 0.00 0.00 176.35 176.83 1u8s s MET 50 N -0.01 0.64 -0.15 1.70 1.75 0.30 -0.62 119.30 122.91 1u8s s MET 50 Ca -0.01 0.02 -0.00 0.00 -1.25 0.00 0.00 55.69 54.45 1u8s s MET 50 Cb -0.14 0.29 0.03 0.00 2.84 0.00 0.00 34.83 37.86 1u8s s MET 50 CO 0.03 -0.16 -0.08 -1.17 -0.65 0.00 0.00 175.02 172.99 1u8s s LEU 51 N -0.93 1.60 0.33 4.11 2.96 -0.88 0.11 118.68 125.97 1u8s s LEU 51 Ca -0.10 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.33 1u8s s LEU 51 Cb -0.04 -0.98 -0.06 0.00 0.50 0.00 0.00 46.19 45.60 1u8s s LEU 51 CO 0.04 -0.14 -0.08 0.27 -1.32 0.00 0.00 176.35 175.12 1u8s s ILE 52 N 1.59 2.06 0.03 6.68 -4.36 0.13 -1.11 121.20 126.23 1u8s s ILE 52 Ca 0.02 -2.17 -0.02 0.00 -0.26 0.00 0.00 60.65 58.23 1u8s s ILE 52 Cb -0.14 -2.62 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 1u8s s ILE 52 CO -0.08 -0.21 0.00 -0.94 0.24 0.00 0.00 174.94 173.95 1u8s s SER 53 N -3.57 0.29 -0.04 4.36 1.04 -0.65 -0.14 113.70 115.00 1u8s s SER 53 Ca 0.32 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 1u8s s SER 53 Cb 0.03 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.35 1u8s s SER 53 CO 0.15 -0.43 0.54 0.61 0.98 0.00 0.00 173.24 175.09 1u8s n GLY 54 N 1.01 0.29 3.75 7.32 0.00 0.44 -0.42 105.19 117.57 1u8s n GLY 54 Ca -0.20 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1u8s n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u8s s SER 55 N -2.17 3.72 0.40 1.61 1.04 -1.26 0.87 113.70 117.90 1u8s s SER 55 Ca 0.13 1.32 0.10 0.00 0.48 0.00 0.00 55.95 57.98 1u8s s SER 55 Cb -0.00 -2.01 0.84 0.00 0.10 0.00 0.00 66.02 64.95 1u8s s SER 55 CO -0.01 -2.46 1.95 1.55 0.98 0.00 0.00 173.24 175.25 1u8s h PRO 56 N -1.43 0.25 0.06 4.02 0.13 -1.94 -0.58 132.00 132.52 1u8s h PRO 56 Ca -0.49 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1u8s h PRO 56 Cb 1.29 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1u8s h PRO 56 CO 0.57 0.34 -0.03 1.03 -0.23 0.00 0.00 178.00 179.68 1u8s h SER 57 N 0.25 -0.07 -0.60 1.44 0.87 -1.94 -2.43 113.55 111.06 1u8s h SER 57 Ca 0.05 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 1u8s h SER 57 Cb 0.29 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1u8s h SER 57 CO 0.01 0.25 0.16 0.78 -0.53 0.00 0.00 176.83 177.50 1u8s h ASN 58 N -0.40 0.93 -0.17 6.23 2.35 -1.75 -1.77 115.58 121.01 1u8s h ASN 58 Ca -0.01 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1u8s h ASN 58 Cb 0.35 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1u8s h ASN 58 CO 0.01 0.90 0.08 0.40 -1.65 0.00 0.00 177.43 177.17 1u8s h ILE 59 N 0.95 1.13 -0.93 2.81 1.08 -1.15 -1.36 117.51 120.04 1u8s h ILE 59 Ca 0.20 -0.37 0.09 0.00 -0.39 0.00 0.00 64.86 64.39 1u8s h ILE 59 Cb 0.33 1.07 -0.07 0.00 -3.07 0.00 0.00 36.82 35.08 1u8s h ILE 59 CO -0.00 0.12 0.58 0.74 -0.69 0.00 0.00 178.15 178.90 1u8s h THR 60 N 0.14 0.98 -0.92 -0.27 2.02 -1.19 0.59 112.91 114.26 1u8s h THR 60 Ca 0.06 -0.34 0.10 0.00 0.77 0.00 0.00 66.41 67.00 1u8s h THR 60 Cb 0.12 -0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 66.37 1u8s h THR 60 CO -0.01 0.18 0.60 -0.09 0.37 0.00 0.00 175.52 176.57 1u8s h ARG 61 N 0.99 0.92 0.01 6.66 9.65 -0.59 0.18 114.38 132.19 1u8s h ARG 61 Ca 0.43 -0.06 -0.25 0.00 -1.10 0.00 0.00 59.98 59.00 1u8s h ARG 61 Cb 0.31 -0.21 0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1u8s h ARG 61 CO -0.22 0.61 -1.02 0.28 2.80 0.00 0.00 179.97 182.42 1u8s h VAL 62 N 0.94 1.34 0.00 0.20 2.07 0.47 -2.10 116.25 119.17 1u8s h VAL 62 Ca 0.43 -2.37 -0.03 0.00 0.82 0.00 0.00 66.70 65.55 1u8s h VAL 62 Cb 0.39 2.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1u8s h VAL 62 CO -0.19 0.72 -0.16 -0.33 0.02 0.00 0.00 177.57 177.63 1u8s h GLU 63 N 0.31 0.00 0.00 1.57 5.08 0.13 -2.34 114.58 119.33 1u8s h GLU 63 Ca -0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1u8s h GLU 63 Cb 1.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1u8s h GLU 63 CO 0.19 0.16 -0.65 1.15 -1.00 0.00 0.00 179.01 178.86 1u8s h THR 64 N 0.00 0.29 -0.37 1.13 2.02 -0.68 -3.41 112.91 111.88 1u8s h THR 64 Ca -0.00 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.80 1u8s h THR 64 Cb 0.45 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1u8s h THR 64 CO 0.02 0.10 0.10 0.71 0.37 0.00 0.00 175.52 176.82 1u8s h THR 65 N -1.00 1.17 -0.41 3.16 1.35 -1.44 -3.28 112.91 112.46 1u8s h THR 65 Ca -0.09 -0.59 0.06 0.00 -0.55 0.00 0.00 66.41 65.24 1u8s h THR 65 Cb 0.69 0.78 -0.06 0.00 -1.73 0.00 0.00 68.15 67.84 1u8s h THR 65 CO -0.06 0.21 0.08 0.25 -0.25 0.00 0.00 175.52 175.76 1u8s h LEU 66 N 0.53 0.01 -1.60 3.87 5.85 -1.65 -2.19 115.31 120.13 1u8s h LEU 66 Ca 0.13 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1u8s h LEU 66 Cb 0.19 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1u8s h LEU 66 CO -0.00 0.04 0.31 -0.65 -0.34 0.00 0.00 178.44 177.80 1u8s h PRO 67 N 0.21 0.51 -0.62 5.25 0.11 -1.80 -2.03 132.00 133.65 1u8s h PRO 67 Ca 0.20 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1u8s h PRO 67 Cb 0.24 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 1u8s h PRO 67 CO -0.26 0.34 0.21 -0.07 -0.21 0.00 0.00 178.00 178.01 1u8s h LEU 68 N 0.53 0.88 -1.14 2.35 3.38 -1.57 -1.54 115.31 118.20 1u8s h LEU 68 Ca 0.19 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1u8s h LEU 68 Cb 0.11 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1u8s h LEU 68 CO -0.05 0.84 0.59 0.25 0.09 0.00 0.00 178.44 180.16 1u8s h LEU 69 N 0.87 0.90 -0.25 1.67 5.85 -1.13 0.12 115.31 123.35 1u8s h LEU 69 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1u8s h LEU 69 Cb 0.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1u8s h LEU 69 CO -0.01 0.58 0.00 0.61 -0.34 0.00 0.00 178.44 179.28 1u8s n GLY 70 N -1.40 -1.37 0.09 3.75 0.00 -0.67 -2.94 105.19 102.65 1u8s n GLY 70 Ca 0.14 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1u8s n GLY 70 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1u8s h GLN 71 N 0.00 0.10 -0.06 1.61 4.15 0.17 -1.01 115.11 120.07 1u8s h GLN 71 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1u8s h GLN 71 Cb 0.46 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1u8s h GLN 71 CO 0.00 1.08 0.00 0.00 -1.93 0.00 0.00 178.83 177.98 1u8s n GLN 72 N -4.41 1.19 0.00 1.69 10.64 -0.97 -3.45 117.38 122.07 1u8s n GLN 72 Ca -0.15 -0.28 0.00 0.00 -1.83 0.00 0.00 57.00 54.74 1u8s n GLN 72 Cb 0.63 -1.21 0.00 0.00 -0.86 0.00 0.00 30.24 28.80 1u8s n GLN 72 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1u8s n HIS 73 N -0.40 0.00 -1.78 2.61 8.25 -1.15 -4.98 115.22 117.76 1u8s n HIS 73 Ca 0.09 -0.11 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 1u8s n HIS 73 Cb 0.10 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 1u8s n HIS 73 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1u8s n ASP 74 N -0.11 -5.14 -4.83 0.41 8.00 -1.15 -4.70 116.55 109.04 1u8s n ASP 74 Ca 0.00 0.35 -0.33 0.00 0.71 0.00 0.00 54.79 55.53 1u8s n ASP 74 Cb 0.44 -4.50 -0.05 0.00 -0.02 0.00 0.00 41.12 36.99 1u8s n ASP 74 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1u8s s LEU 75 N -4.90 3.77 -0.17 0.64 0.20 -0.39 -4.65 118.68 113.18 1u8s s LEU 75 Ca 0.00 1.67 0.01 0.00 0.69 0.00 0.00 54.13 56.49 1u8s s LEU 75 Cb 0.00 -4.53 0.01 0.00 -0.43 0.00 0.00 46.19 41.24 1u8s s LEU 75 CO 0.00 -0.53 -0.17 -0.63 -0.29 0.00 0.00 176.35 174.72 1u8s s ILE 76 N -2.37 2.41 0.31 6.68 1.01 0.78 -4.51 121.20 125.51 1u8s s ILE 76 Ca 0.61 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 60.51 1u8s s ILE 76 Cb -0.10 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1u8s s ILE 76 CO 0.23 0.52 0.02 0.42 0.00 0.00 0.00 174.94 176.13 1u8s s THR 77 N 1.03 3.02 -0.28 2.92 -4.23 -1.26 -1.47 115.64 115.36 1u8s s THR 77 Ca -0.01 -1.91 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 1u8s s THR 77 Cb -0.15 -2.83 0.10 0.00 1.34 0.00 0.00 72.50 70.96 1u8s s THR 77 CO -0.05 -0.27 0.66 -0.32 -0.54 0.00 0.00 174.62 174.10 1u8s s MET 78 N -3.72 0.64 0.24 3.99 0.00 -0.43 -4.98 119.30 115.04 1u8s s MET 78 Ca 0.34 1.28 0.04 0.00 0.00 0.00 0.00 55.69 57.35 1u8s s MET 78 Cb -0.03 0.39 -0.05 0.00 0.00 0.00 0.00 34.83 35.14 1u8s s MET 78 CO 0.20 -0.17 -0.01 -1.64 0.00 0.00 0.00 175.02 173.40 1u8s s MET 79 N 2.09 1.37 -0.30 4.11 -1.94 -1.26 -0.18 119.30 123.18 1u8s s MET 79 Ca -0.08 -1.69 -0.14 0.00 -1.71 0.00 0.00 55.69 52.06 1u8s s MET 79 Cb -0.08 -0.68 0.16 0.00 2.01 0.00 0.00 34.83 36.25 1u8s s MET 79 CO -0.19 -0.08 0.96 0.21 -0.01 0.00 0.00 175.02 175.90 1u8s s LYS 80 N -3.85 0.31 0.83 2.03 2.20 -0.67 -4.96 119.74 115.62 1u8s s LYS 80 Ca 0.29 0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 56.55 1u8s s LYS 80 Cb 0.06 0.46 0.10 0.00 -1.51 0.00 0.00 37.83 36.93 1u8s s LYS 80 CO 0.09 -0.13 1.14 1.03 -0.36 0.00 0.00 175.35 177.12 1u8s s ARG 81 N 2.52 1.64 0.14 4.03 0.52 -1.26 -1.28 118.95 125.26 1u8s s ARG 81 Ca -0.02 1.48 -0.24 0.00 -0.52 0.00 0.00 55.73 56.42 1u8s s ARG 81 Cb -0.07 -1.80 0.07 0.00 0.52 0.00 0.00 34.95 33.67 1u8s s ARG 81 CO -0.17 -2.16 0.73 -0.08 0.02 0.00 0.00 175.30 173.65 1u8s s THR 82 N -2.59 0.00 1.02 0.02 -1.32 -0.98 -4.83 115.64 106.96 1u8s s THR 82 Ca 0.67 -0.25 -0.11 0.00 -1.21 0.00 0.00 61.69 60.78 1u8s s THR 82 Cb -0.22 -1.29 0.21 0.00 -1.51 0.00 0.00 72.50 69.68 1u8s s THR 82 CO 0.54 0.00 1.08 -0.44 -2.21 0.00 0.00 174.62 173.60 1u8s s SER 83 N -2.74 2.12 0.81 8.08 0.01 -1.26 -4.08 113.70 116.65 1u8s s SER 83 Ca 0.05 1.78 -0.13 0.00 1.31 0.00 0.00 55.95 58.97 1u8s s SER 83 Cb -0.02 -2.39 0.09 0.00 0.21 0.00 0.00 66.02 63.90 1u8s s SER 83 CO -0.07 -3.53 1.18 -2.16 0.41 0.00 0.00 173.24 169.07 1u8s s PRO 84 N -4.61 1.66 -0.31 12.44 0.04 -1.26 -4.85 135.00 138.11 1u8s s PRO 84 Ca 0.67 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 63.20 1u8s s PRO 84 Cb -0.23 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1u8s s PRO 84 CO 0.61 -2.18 0.43 -1.58 0.04 0.00 0.00 177.00 174.32 1u8s s HIS 85 N -2.30 3.22 -0.42 0.56 2.46 -1.26 -5.05 115.29 112.50 1u8s s HIS 85 Ca 0.71 0.24 -0.24 0.00 0.47 0.00 0.00 55.06 56.24 1u8s s HIS 85 Cb -0.26 -2.73 0.02 0.00 -0.13 0.00 0.00 32.58 29.48 1u8s s HIS 85 CO 0.51 -0.39 0.82 0.16 -2.47 0.00 0.00 174.74 173.37 1u8s s ASP 86 N 1.70 6.49 -0.16 9.88 -4.77 -1.26 -4.98 116.67 123.57 1u8s s ASP 86 Ca 0.16 0.13 -0.31 0.00 -3.30 0.00 0.00 52.55 49.23 1u8s s ASP 86 Cb -0.16 -2.41 -0.09 0.00 -1.09 0.00 0.00 42.92 39.18 1u8s s ASP 86 CO 0.11 -0.88 2.08 1.57 0.70 0.00 0.00 175.17 178.76 1u8s n HIS 87 N 6.72 2.11 -3.28 2.11 -0.00 -1.26 -4.94 115.22 116.68 1u8s n HIS 87 Ca 0.04 -0.08 -0.46 0.00 0.46 0.00 0.00 57.72 57.68 1u8s n HIS 87 Cb 0.48 -2.69 -0.04 0.00 -0.12 0.00 0.00 29.99 27.62 1u8s n HIS 87 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1u8s s GLN 88 N 5.37 3.16 0.25 1.57 -1.52 -1.26 -5.04 119.66 122.18 1u8s s GLN 88 Ca 0.98 -1.84 -0.30 0.00 -1.95 0.00 0.00 55.36 52.26 1u8s s GLN 88 Cb -0.54 -4.34 -0.09 0.00 -0.22 0.00 0.00 33.01 27.82 1u8s s GLN 88 CO 0.43 -1.36 1.30 0.95 -0.25 0.00 0.00 175.29 176.37 1u8s s THR 89 N 1.43 3.04 -0.09 -0.19 -4.23 -1.26 -5.01 115.64 109.33 1u8s s THR 89 Ca 0.08 0.92 0.03 0.00 -1.18 0.00 0.00 61.69 61.54 1u8s s THR 89 Cb -0.24 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 1u8s s THR 89 CO 0.00 0.17 -0.17 -1.38 -0.54 0.00 0.00 174.62 172.70 1u8s s HIS 90 N -0.36 2.67 -0.14 3.99 -3.43 -1.26 -4.58 115.29 112.18 1u8s s HIS 90 Ca 0.54 -0.59 0.21 0.00 -0.80 0.00 0.00 55.06 54.41 1u8s s HIS 90 Cb -0.37 -1.72 -0.15 0.00 -1.43 0.00 0.00 32.58 28.90 1u8s s HIS 90 CO 0.43 -0.14 0.74 0.00 -2.00 0.00 0.00 174.74 173.77 1u8s n ALA 91 N 3.10 2.38 -2.44 -1.38 0.00 -0.74 -4.81 120.51 116.62 1u8s n ALA 91 Ca -0.18 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1u8s n ALA 91 Cb 0.52 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 1u8s n ALA 91 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1u8s s TYR 92 N -3.23 0.40 -0.14 0.00 2.02 -0.64 -3.55 117.35 112.21 1u8s s TYR 92 Ca -0.04 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 55.83 1u8s s TYR 92 Cb 0.10 -0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.49 1u8s s TYR 92 CO 0.83 -0.55 -0.13 0.99 -1.57 0.00 0.00 175.55 175.13 1u8s s THR 93 N -3.93 1.45 -0.17 -0.71 2.01 0.86 -1.76 115.64 113.39 1u8s s THR 93 Ca 0.11 -0.57 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 1u8s s THR 93 Cb 0.06 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1u8s s THR 93 CO -0.06 0.42 0.10 0.68 -0.69 0.00 0.00 174.62 175.07 1u8s s VAL 94 N 1.53 5.15 -0.17 3.82 -7.23 0.27 -0.99 120.40 122.78 1u8s s VAL 94 Ca 0.05 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.28 1u8s s VAL 94 Cb -0.13 -3.31 -0.02 0.00 0.56 0.00 0.00 36.38 33.48 1u8s s VAL 94 CO -0.10 0.49 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.51 1u8s s GLU 95 N 0.07 3.53 0.05 4.82 2.02 0.27 -0.50 118.70 128.96 1u8s s GLU 95 Ca 0.08 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 54.55 1u8s s GLU 95 Cb -0.12 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.18 1u8s s GLU 95 CO -0.00 0.10 -0.15 0.08 0.02 0.00 0.00 175.26 175.31 1u8s s VAL 96 N 0.72 3.02 -0.12 2.63 1.01 0.63 -0.93 120.40 127.37 1u8s s VAL 96 Ca -0.03 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 1u8s s VAL 96 Cb -0.15 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 33.96 1u8s s VAL 96 CO 0.02 0.28 0.07 -0.47 0.00 0.00 0.00 175.10 175.00 1u8s s TYR 97 N -1.01 0.25 -0.05 5.22 5.04 -0.90 -1.84 117.35 124.06 1u8s s TYR 97 Ca 0.16 -0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.69 1u8s s TYR 97 Cb -0.11 -0.66 -0.02 0.00 0.35 0.00 0.00 41.96 41.53 1u8s s TYR 97 CO 0.08 -0.39 -0.18 0.08 -1.34 0.00 0.00 175.55 173.79 1u8s s VAL 98 N 2.11 2.72 -0.04 3.14 1.01 -0.21 -1.43 120.40 127.70 1u8s s VAL 98 Ca 0.03 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1u8s s VAL 98 Cb -0.14 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1u8s s VAL 98 CO -0.07 0.58 -0.13 -1.61 0.00 0.00 0.00 175.10 173.87 1u8s s GLU 99 N -0.50 1.46 0.25 2.72 2.02 0.14 -0.20 118.70 124.59 1u8s s GLU 99 Ca 0.06 -0.45 -0.05 0.00 0.02 0.00 0.00 54.97 54.56 1u8s s GLU 99 Cb -0.12 -1.28 -0.02 0.00 0.10 0.00 0.00 34.13 32.81 1u8s s GLU 99 CO 0.01 0.14 0.31 0.45 0.02 0.00 0.00 175.26 176.20 1u8s s SER 100 N 0.25 0.28 -0.03 -0.19 0.15 -0.11 -1.75 113.70 112.31 1u8s s SER 100 Ca -0.06 -1.27 0.18 0.00 0.70 0.00 0.00 55.95 55.50 1u8s s SER 100 Cb -0.12 0.51 -0.27 0.00 -1.71 0.00 0.00 66.02 64.43 1u8s s SER 100 CO 0.02 -1.03 0.37 -0.90 1.20 0.00 0.00 173.24 172.90 1u8s n ASP 101 N -0.56 0.91 -4.55 5.45 5.75 -1.26 0.01 116.55 122.29 1u8s n ASP 101 Ca 0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 54.79 54.45 1u8s n ASP 101 Cb 0.64 1.76 -0.11 0.00 -1.03 0.00 0.00 41.12 42.38 1u8s n ASP 101 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1u8s s ASP 102 N -4.12 4.92 0.00 -1.12 -0.00 -1.26 -4.67 116.67 110.42 1u8s s ASP 102 Ca -0.07 -0.05 0.18 0.00 -0.00 0.00 0.00 52.55 52.61 1u8s s ASP 102 Cb 0.11 -1.68 -0.19 0.00 -0.00 0.00 0.00 42.92 41.16 1u8s s ASP 102 CO 0.74 0.23 0.76 2.29 -0.00 0.00 0.00 175.17 179.19 1u8s n LYS 103 N 3.15 1.11 -1.44 8.23 2.85 -1.26 -4.87 118.16 125.92 1u8s n LYS 103 Ca -0.18 -0.00 -0.46 0.00 -1.05 0.00 0.00 58.31 56.62 1u8s n LYS 103 Cb 0.53 -1.34 -0.12 0.00 -0.65 0.00 0.00 35.03 33.45 1u8s n LYS 103 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1u8s n LEU 104 N -1.42 0.94 -1.53 -5.58 7.94 -1.26 -2.31 117.00 113.79 1u8s n LEU 104 Ca 0.03 0.24 -0.13 0.00 -1.11 0.00 0.00 56.01 55.04 1u8s n LEU 104 Cb 0.28 -1.06 -0.05 0.00 0.53 0.00 0.00 43.42 43.12 1u8s n LEU 104 CO 0.36 -0.85 -0.13 0.61 -1.11 0.00 0.00 177.39 176.27 1u8s n GLY 105 N 6.67 1.00 0.14 -3.96 0.00 -1.26 -4.87 105.19 102.92 1u8s n GLY 105 Ca 0.56 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.41 1u8s n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1u8s h LEU 106 N 0.00 0.51 -0.42 0.99 5.85 -1.80 -3.33 115.31 117.11 1u8s h LEU 106 Ca -0.27 -0.73 0.05 0.00 0.84 0.00 0.00 57.88 57.76 1u8s h LEU 106 Cb 0.91 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1u8s h LEU 106 CO 0.39 1.17 0.15 0.74 -0.34 0.00 0.00 178.44 180.55 1u8s h THR 107 N -0.11 0.88 0.00 1.05 2.02 -1.89 -1.55 112.91 113.31 1u8s h THR 107 Ca -0.06 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1u8s h THR 107 Cb 1.23 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1u8s h THR 107 CO 0.11 0.06 0.00 1.05 0.37 0.00 0.00 175.52 177.10 1u8s h GLU 108 N 0.32 0.00 -0.27 6.66 9.09 -1.97 -1.06 114.58 127.35 1u8s h GLU 108 Ca 0.20 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.42 1u8s h GLU 108 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1u8s h GLU 108 CO -0.20 0.00 -0.56 0.87 0.05 0.00 0.00 179.01 179.18 1u8s h LYS 109 N 0.00 0.85 0.01 1.06 1.79 -1.38 -1.62 116.57 117.28 1u8s h LYS 109 Ca 0.00 -0.56 -0.19 0.00 -2.18 0.00 0.00 60.65 57.73 1u8s h LYS 109 Cb 0.24 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1u8s h LYS 109 CO 0.00 1.19 -0.88 0.74 -1.08 0.00 0.00 179.45 179.42 1u8s h PHE 110 N 0.63 0.09 -0.18 -1.35 0.04 -1.10 -1.70 116.94 113.37 1u8s h PHE 110 Ca 0.01 -0.05 -0.20 0.00 2.80 0.00 0.00 57.97 60.52 1u8s h PHE 110 Cb 1.17 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1u8s h PHE 110 CO 0.08 0.90 -0.69 1.79 -0.60 0.00 0.00 178.31 179.78 1u8s h THR 111 N 0.03 1.30 -0.58 -1.55 1.35 -1.41 -2.77 112.91 109.28 1u8s h THR 111 Ca -0.02 -1.92 -0.01 0.00 -0.55 0.00 0.00 66.41 63.91 1u8s h THR 111 Cb 1.53 1.89 -0.03 0.00 -1.73 0.00 0.00 68.15 69.82 1u8s h THR 111 CO 0.12 0.61 0.33 -0.61 -0.25 0.00 0.00 175.52 175.71 1u8s h GLN 112 N 0.52 0.80 -0.97 4.72 5.75 -1.21 -0.90 115.11 123.81 1u8s h GLN 112 Ca -0.03 -0.08 0.11 0.00 -0.15 0.00 0.00 58.65 58.51 1u8s h GLN 112 Cb 1.30 -0.16 -0.08 0.00 1.07 0.00 0.00 27.48 29.61 1u8s h GLN 112 CO 0.14 0.58 0.61 0.35 -2.65 0.00 0.00 178.83 177.86 1u8s h PHE 113 N 0.81 1.10 0.04 3.99 3.57 -1.02 0.20 116.94 125.64 1u8s h PHE 113 Ca 0.21 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.51 1u8s h PHE 113 Cb 0.01 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 1u8s h PHE 113 CO 0.00 0.46 -1.12 0.74 -2.23 0.00 0.00 178.31 176.16 1u8s h PHE 114 N 0.98 0.15 -0.13 0.41 0.04 -1.23 -3.20 116.94 113.96 1u8s h PHE 114 Ca 0.47 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 61.10 1u8s h PHE 114 Cb 0.43 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 1u8s h PHE 114 CO -0.01 1.09 -0.03 0.00 -0.60 0.00 0.00 178.31 178.75 1u8s h ALA 115 N 0.87 0.18 -0.66 2.45 0.00 -0.28 0.19 119.26 122.02 1u8s h ALA 115 Ca -0.06 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 54.81 1u8s h ALA 115 Cb 1.84 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1u8s h ALA 115 CO 0.15 -0.07 0.48 1.96 0.00 0.00 0.00 179.25 181.77 1u8s h GLN 116 N -0.05 0.00 -0.50 0.00 4.20 -0.72 0.35 115.11 118.39 1u8s h GLN 116 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1u8s h GLN 116 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1u8s h GLN 116 CO 0.01 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.71 1u8s n ARG 117 N -4.32 2.58 -2.44 1.46 1.74 -1.02 -4.95 116.66 109.71 1u8s n ARG 117 Ca 0.13 -2.41 -0.21 0.00 -0.77 0.00 0.00 57.85 54.59 1u8s n ARG 117 Cb 0.73 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 30.64 1u8s n ARG 117 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1u8s n GLN 118 N 1.54 -1.90 -3.50 5.56 6.02 0.12 -4.97 117.38 120.25 1u8s n GLN 118 Ca 0.21 1.00 -0.38 0.00 -0.01 0.00 0.00 57.00 57.82 1u8s n GLN 118 Cb 0.61 -5.68 -0.09 0.00 1.02 0.00 0.00 30.24 26.11 1u8s n GLN 118 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1u8s s ILE 119 N -3.04 5.26 0.04 5.09 1.01 0.55 -5.01 121.20 125.10 1u8s s ILE 119 Ca 0.02 0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.87 1u8s s ILE 119 Cb -0.01 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1u8s s ILE 119 CO 0.02 0.27 0.80 -0.83 0.00 0.00 0.00 174.94 175.21 1u8s s GLY 120 N 1.17 2.81 0.41 6.18 0.00 -1.26 -4.30 107.32 112.34 1u8s s GLY 120 Ca 0.13 0.33 -0.08 0.00 0.00 0.00 0.00 44.72 45.11 1u8s s GLY 120 CO 0.07 1.19 0.74 1.06 0.00 0.00 0.00 173.10 176.16 1u8s s MET 121 N 0.10 3.67 -0.02 2.90 1.00 -1.26 -2.55 119.30 123.12 1u8s s MET 121 Ca 0.40 0.29 0.04 0.00 0.00 0.00 0.00 55.69 56.43 1u8s s MET 121 Cb -0.21 -2.43 -0.06 0.00 0.00 0.00 0.00 34.83 32.14 1u8s s MET 121 CO 0.24 -0.05 0.05 0.00 0.00 0.00 0.00 175.02 175.26 1u8s n ALA 122 N -1.59 2.02 -3.50 3.03 0.00 0.16 -4.92 120.51 115.72 1u8s n ALA 122 Ca 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 53.44 53.08 1u8s n ALA 122 Cb 0.54 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1u8s n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u8s s SER 123 N -3.04 -0.62 0.04 0.00 1.04 -1.09 -4.97 113.70 105.06 1u8s s SER 123 Ca -0.02 0.70 -0.12 0.00 0.48 0.00 0.00 55.95 56.98 1u8s s SER 123 Cb 0.02 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.72 1u8s s SER 123 CO 0.18 -0.58 0.27 -0.22 0.98 0.00 0.00 173.24 173.87 1u8s s LEU 124 N -1.13 1.04 -0.21 2.42 0.20 -1.25 -0.32 118.68 119.42 1u8s s LEU 124 Ca -0.11 -0.22 -0.14 0.00 0.69 0.00 0.00 54.13 54.35 1u8s s LEU 124 Cb -0.01 1.22 0.06 0.00 -0.43 0.00 0.00 46.19 47.03 1u8s s LEU 124 CO 0.09 -0.58 0.53 -0.94 -0.29 0.00 0.00 176.35 175.16 1u8s s SER 125 N -2.00 -0.65 -0.11 3.68 1.04 0.48 -4.96 113.70 111.19 1u8s s SER 125 Ca -0.06 1.12 -0.03 0.00 0.48 0.00 0.00 55.95 57.46 1u8s s SER 125 Cb -0.01 1.04 0.05 0.00 0.10 0.00 0.00 66.02 67.20 1u8s s SER 125 CO -0.03 -0.20 0.13 0.00 0.98 0.00 0.00 173.24 174.12 1u8s s ALA 126 N 1.08 0.02 0.15 5.32 0.00 -1.26 0.76 121.76 127.83 1u8s s ALA 126 Ca -0.06 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 1u8s s ALA 126 Cb -0.06 -0.88 0.06 0.00 0.00 0.00 0.00 23.12 22.24 1u8s s ALA 126 CO -0.10 -0.74 0.55 1.14 0.00 0.00 0.00 175.76 176.61 1u8s s GLN 127 N 2.24 1.22 -0.04 0.00 -2.07 -0.64 -4.99 119.66 115.37 1u8s s GLN 127 Ca 0.04 -0.52 -0.18 0.00 -1.82 0.00 0.00 55.36 52.88 1u8s s GLN 127 Cb -0.13 0.56 -0.05 0.00 -1.09 0.00 0.00 33.01 32.29 1u8s s GLN 127 CO -0.07 -0.52 0.51 0.99 -1.32 0.00 0.00 175.29 174.89 1u8s s THR 128 N -3.71 5.03 0.18 3.63 2.01 -1.26 -0.72 115.64 120.80 1u8s s THR 128 Ca 0.01 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1u8s s THR 128 Cb -0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1u8s s THR 128 CO -0.12 0.42 0.35 -0.63 -0.69 0.00 0.00 174.62 173.95 1u8s s ILE 129 N -0.08 5.24 0.00 1.82 -1.09 -0.69 -4.98 121.20 121.43 1u8s s ILE 129 Ca 0.28 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1u8s s ILE 129 Cb -0.17 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1u8s s ILE 129 CO 0.14 -0.13 0.00 -0.24 -1.23 0.00 0.00 174.94 173.47 1u8s n SER 130 N -0.57 0.00 -3.15 3.58 2.88 -1.26 -3.80 113.62 111.30 1u8s n SER 130 Ca -0.05 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.54 1u8s n SER 130 Cb 0.54 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 1u8s n SER 130 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1u8s s LYS 131 N 0.00 0.17 0.00 -1.46 2.47 -1.26 -4.96 119.74 114.70 1u8s s LYS 131 Ca 0.00 0.30 0.00 0.00 -1.56 0.00 0.00 55.97 54.71 1u8s s LYS 131 Cb 0.00 0.16 0.00 0.00 -1.46 0.00 0.00 37.83 36.53 1u8s s LYS 131 CO 0.00 -0.19 0.00 0.27 0.16 0.00 0.00 175.35 175.59 1u8s n ASN 139 N 5.47 0.00 -4.72 1.43 6.94 -1.25 -5.32 115.26 117.81 1u8s n ASN 139 Ca -0.07 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.21 1u8s n ASN 139 Cb 0.54 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.89 1u8s n ASN 139 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1u8s s GLN 140 N 0.00 2.65 -0.17 -3.83 -0.21 -1.26 -4.73 119.66 112.11 1u8s s GLN 140 Ca 0.00 -0.89 -0.02 0.00 0.02 0.00 0.00 55.36 54.46 1u8s s GLN 140 Cb 0.00 -2.55 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 1u8s s GLN 140 CO 0.00 0.51 -0.08 0.12 -2.12 0.00 0.00 175.29 173.71 1u8s s PHE 141 N -1.55 2.90 -0.12 0.91 5.36 0.10 -1.70 117.98 123.89 1u8s s PHE 141 Ca 0.28 -0.73 0.02 0.00 -0.96 0.00 0.00 56.93 55.54 1u8s s PHE 141 Cb -0.11 -1.97 -0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1u8s s PHE 141 CO 0.20 -0.33 -0.17 -1.01 -1.46 0.00 0.00 175.22 172.45 1u8s s HIS 142 N 0.81 2.71 -0.09 10.12 3.76 0.10 -0.93 115.29 131.78 1u8s s HIS 142 Ca -0.03 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 1u8s s HIS 142 Cb -0.15 -1.79 -0.02 0.00 1.11 0.00 0.00 32.58 31.73 1u8s s HIS 142 CO 0.01 -0.28 -0.09 0.42 -0.85 0.00 0.00 174.74 173.95 1u8s s ILE 143 N 0.32 3.44 -0.09 0.60 1.01 0.72 -1.62 121.20 125.58 1u8s s ILE 143 Ca -0.13 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1u8s s ILE 143 Cb -0.17 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1u8s s ILE 143 CO 0.07 0.56 -0.03 0.00 0.00 0.00 0.00 174.94 175.54 1u8s s ALA 144 N -0.32 0.96 0.00 9.38 0.00 0.23 -1.04 121.76 130.97 1u8s s ALA 144 Ca 0.04 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.74 1u8s s ALA 144 Cb -0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 1u8s s ALA 144 CO 0.02 -0.46 -0.17 0.42 0.00 0.00 0.00 175.76 175.58 1u8s s ILE 145 N 1.86 1.31 -0.11 0.00 1.01 -0.77 -0.39 121.20 124.11 1u8s s ILE 145 Ca 0.05 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1u8s s ILE 145 Cb -0.12 -1.11 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1u8s s ILE 145 CO -0.06 0.28 -0.22 -0.44 0.00 0.00 0.00 174.94 174.50 1u8s s SER 146 N -0.63 2.98 0.05 3.58 0.01 0.56 -0.27 113.70 119.98 1u8s s SER 146 Ca 0.06 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.77 1u8s s SER 146 Cb -0.07 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 1u8s s SER 146 CO 0.00 0.11 -0.06 0.00 0.41 0.00 0.00 173.24 173.71 1u8s s ALA 147 N 0.58 0.52 -0.14 1.44 0.00 0.34 0.41 121.76 124.91 1u8s s ALA 147 Ca -0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1u8s s ALA 147 Cb -0.17 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1u8s s ALA 147 CO 0.04 -0.15 -0.10 1.03 0.00 0.00 0.00 175.76 176.58 1u8s s ARG 148 N -2.33 3.48 0.10 0.00 0.52 -1.06 0.93 118.95 120.59 1u8s s ARG 148 Ca -0.05 -0.63 0.10 0.00 -0.52 0.00 0.00 55.73 54.63 1u8s s ARG 148 Cb -0.04 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1u8s s ARG 148 CO -0.03 0.21 -0.27 0.14 0.02 0.00 0.00 175.30 175.38 1u8s s VAL 149 N 0.38 2.22 0.43 3.52 -7.23 -0.72 -4.13 120.40 114.86 1u8s s VAL 149 Ca -0.08 -1.64 -0.05 0.00 -1.81 0.00 0.00 61.98 58.39 1u8s s VAL 149 Cb -0.15 -1.94 0.09 0.00 0.56 0.00 0.00 36.38 34.94 1u8s s VAL 149 CO 0.05 0.18 0.58 -0.90 -0.31 0.00 0.00 175.10 174.70 1u8s n ASP 150 N 1.20 0.24 0.22 4.85 3.85 -1.26 -1.62 116.55 124.03 1u8s n ASP 150 Ca -0.18 -1.33 0.09 0.00 -0.71 0.00 0.00 54.79 52.67 1u8s n ASP 150 Cb 0.53 -0.43 0.51 0.00 -1.35 0.00 0.00 41.12 40.38 1u8s n ASP 150 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1u8s h SER 151 N -0.66 0.00 0.00 -1.12 4.64 -1.94 -3.01 113.55 111.46 1u8s h SER 151 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1u8s h SER 151 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1u8s h SER 151 CO 0.15 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 1u8s n GLY 152 N -0.18 -0.89 3.68 -0.77 0.00 -1.26 -4.78 105.19 100.98 1u8s n GLY 152 Ca -0.01 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1u8s n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8s s ASN 154 N 0.71 5.89 0.15 0.00 3.04 -1.26 -4.89 114.94 118.59 1u8s s ASN 154 Ca 0.07 -0.08 -0.14 0.00 0.04 0.00 0.00 52.86 52.75 1u8s s ASN 154 Cb -0.12 -2.55 0.04 0.00 -1.54 0.00 0.00 41.25 37.07 1u8s s ASN 154 CO 0.01 -1.97 1.71 -0.07 -3.04 0.00 0.00 177.10 173.74 1u8s h LEU 155 N 14.04 0.68 -1.32 3.21 3.38 -1.96 0.34 115.31 133.68 1u8s h LEU 155 Ca -0.27 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1u8s h LEU 155 Cb 1.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1u8s h LEU 155 CO 1.24 0.66 -0.00 -0.03 0.09 0.00 0.00 178.44 180.40 1u8s h MET 156 N 0.66 0.45 -0.11 1.13 4.05 -1.99 -1.13 114.93 117.99 1u8s h MET 156 Ca 0.17 -0.09 -0.21 0.00 -0.28 0.00 0.00 59.70 59.29 1u8s h MET 156 Cb 0.19 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1u8s h MET 156 CO -0.01 0.48 -0.78 0.37 0.23 0.00 0.00 176.91 177.19 1u8s h GLN 157 N 0.43 0.61 -0.65 0.39 4.15 -1.86 -2.10 115.11 116.09 1u8s h GLN 157 Ca 0.10 -0.51 -0.07 0.00 0.77 0.00 0.00 58.65 58.93 1u8s h GLN 157 Cb 0.29 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1u8s h GLN 157 CO 0.01 1.13 0.12 1.25 -1.93 0.00 0.00 178.83 179.41 1u8s h LEU 158 N 0.41 1.02 -0.93 -2.39 5.85 -0.51 -1.68 115.31 117.08 1u8s h LEU 158 Ca -0.05 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 1u8s h LEU 158 Cb 1.39 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1u8s h LEU 158 CO 0.15 1.01 -0.12 -0.61 -0.34 0.00 0.00 178.44 178.53 1u8s h GLN 159 N 0.98 0.64 -0.13 1.25 4.15 -1.17 -0.90 115.11 119.93 1u8s h GLN 159 Ca 0.20 -0.20 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1u8s h GLN 159 Cb 0.42 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 1u8s h GLN 159 CO 0.01 0.75 -0.13 0.93 -1.93 0.00 0.00 178.83 178.46 1u8s h GLU 160 N 0.59 0.32 -0.57 1.69 5.08 -1.12 -1.66 114.58 118.90 1u8s h GLU 160 Ca 0.10 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1u8s h GLU 160 Cb 0.55 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1u8s h GLU 160 CO 0.03 0.71 0.33 0.93 -1.00 0.00 0.00 179.01 180.01 1u8s h GLU 161 N -0.06 0.78 -0.30 2.33 5.08 -1.17 -0.29 114.58 120.95 1u8s h GLU 161 Ca 0.02 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1u8s h GLU 161 Cb 0.65 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1u8s h GLU 161 CO 0.03 0.56 -0.23 0.35 -1.00 0.00 0.00 179.01 178.72 1u8s h PHE 162 N 0.79 0.64 -0.29 4.33 3.57 -1.05 -1.67 116.94 123.24 1u8s h PHE 162 Ca 0.20 -0.13 -0.19 0.00 3.53 0.00 0.00 57.97 61.38 1u8s h PHE 162 Cb -0.00 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1u8s h PHE 162 CO 0.00 0.76 -0.54 -0.44 -2.23 0.00 0.00 178.31 175.86 1u8s h ASP 163 N 0.50 0.98 -0.26 0.41 3.32 -0.36 -2.24 116.42 118.78 1u8s h ASP 163 Ca 0.07 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1u8s h ASP 163 Cb 0.67 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1u8s h ASP 163 CO 0.05 1.33 0.15 0.00 -1.72 0.00 0.00 179.24 179.05 1u8s h ALA 164 N 0.69 0.33 -0.01 3.45 0.00 -0.91 0.15 119.26 122.98 1u8s h ALA 164 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u8s h ALA 164 Cb 1.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1u8s h ALA 164 CO 0.12 -0.15 -0.11 1.25 0.00 0.00 0.00 179.25 180.36 1u8s h LEU 165 N 0.32 -0.32 -1.23 0.00 5.85 -1.30 0.32 115.31 118.95 1u8s h LEU 165 Ca 0.09 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1u8s h LEU 165 Cb 0.04 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1u8s h LEU 165 CO -0.02 -0.16 0.57 0.00 -0.34 0.00 0.00 178.44 178.50 1u8s h THR 167 N 0.82 1.32 -0.99 0.00 2.02 0.36 -1.04 112.91 115.40 1u8s h THR 167 Ca 0.42 -1.08 0.12 0.00 0.77 0.00 0.00 66.41 66.64 1u8s h THR 167 Cb 0.50 1.82 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 1u8s h THR 167 CO -0.18 0.30 0.62 0.00 0.37 0.00 0.00 175.52 176.63 1u8s h ALA 168 N 0.64 1.48 -0.29 6.16 0.00 0.96 -1.65 119.26 126.55 1u8s h ALA 168 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u8s h ALA 168 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1u8s h ALA 168 CO 0.02 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1u8s n LEU 169 N -4.63 2.66 -3.76 0.00 4.77 0.67 -4.97 117.00 111.74 1u8s n LEU 169 Ca 0.18 -1.13 -0.22 0.00 -0.03 0.00 0.00 56.01 54.80 1u8s n LEU 169 Cb 0.34 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1u8s n LEU 169 CO 0.27 0.57 -0.09 -0.67 -1.33 0.00 0.00 177.39 176.14 1u8s n ASP 170 N 0.98 -1.14 -4.34 -1.43 2.03 -0.47 -5.01 116.55 107.17 1u8s n ASP 170 Ca 0.18 -0.85 -0.18 0.00 0.52 0.00 0.00 54.79 54.46 1u8s n ASP 170 Cb 0.48 -3.86 -0.10 0.00 -0.72 0.00 0.00 41.12 36.93 1u8s n ASP 170 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1u8s s VAL 171 N -3.71 1.21 -0.24 5.18 -7.23 -0.74 -4.98 120.40 109.88 1u8s s VAL 171 Ca 0.03 -2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 57.96 1u8s s VAL 171 Cb -0.02 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1u8s s VAL 171 CO 0.83 -0.38 0.48 -1.10 -0.31 0.00 0.00 175.10 174.62 1u8s s GLN 172 N -3.81 4.10 0.01 4.82 -0.21 -0.71 -4.63 119.66 119.23 1u8s s GLN 172 Ca 0.27 0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.94 1u8s s GLN 172 Cb 0.05 -3.62 -0.01 0.00 1.00 0.00 0.00 33.01 30.43 1u8s s GLN 172 CO 0.08 -0.26 -0.02 0.20 -2.12 0.00 0.00 175.29 173.17 1u8s s GLY 173 N 1.41 0.12 0.17 3.09 0.00 -1.26 0.24 107.32 111.11 1u8s s GLY 173 Ca 0.21 -0.27 0.08 0.00 0.00 0.00 0.00 44.72 44.74 1u8s s GLY 173 CO 0.09 -0.30 -0.17 -1.35 0.00 0.00 0.00 173.10 171.37 1u8s s SER 174 N -0.64 2.65 0.05 1.64 1.04 -0.51 -4.98 113.70 112.95 1u8s s SER 174 Ca -0.07 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 55.52 1u8s s SER 174 Cb -0.04 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1u8s s SER 174 CO -0.00 -0.07 -0.15 -0.22 0.98 0.00 0.00 173.24 173.78 1u8s s LEU 175 N -2.81 2.21 0.00 2.42 0.20 -1.26 -2.11 118.68 117.32 1u8s s LEU 175 Ca 0.17 -0.53 0.00 0.00 0.69 0.00 0.00 54.13 54.47 1u8s s LEU 175 Cb -0.05 -0.65 -0.00 0.00 -0.43 0.00 0.00 46.19 45.06 1u8s s LEU 175 CO 0.07 0.02 -0.02 0.21 -0.29 0.00 0.00 176.35 176.34 1u8s s ASN 176 N -1.38 0.17 -0.05 3.68 3.04 -0.10 -4.96 114.94 115.34 1u8s s ASN 176 Ca 0.02 -0.10 0.06 0.00 0.04 0.00 0.00 52.86 52.88 1u8s s ASN 176 Cb -0.09 0.00 -0.02 0.00 -1.54 0.00 0.00 41.25 39.61 1u8s s ASN 176 CO 0.02 -0.03 -0.23 -0.36 -3.04 0.00 0.00 177.10 173.45 1u8s s PHE 177 N -0.26 2.46 -0.04 0.43 0.08 -1.26 -0.56 117.98 118.83 1u8s s PHE 177 Ca -0.02 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.43 1u8s s PHE 177 Cb -0.02 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 1u8s s PHE 177 CO -0.00 -0.12 0.05 0.42 -0.10 0.00 0.00 175.22 175.47 1u8s s ILE 178 N -0.32 -0.08 0.33 0.64 1.01 -0.16 -4.96 121.20 117.67 1u8s s ILE 178 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.04 1u8s s ILE 178 Cb -0.13 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 1u8s s ILE 178 CO 0.02 0.17 0.54 -1.59 0.00 0.00 0.00 174.94 174.08 1u8s s LYS 179 N 1.94 3.50 0.00 2.79 -2.85 -1.26 -0.10 119.74 123.76 1u8s s LYS 179 Ca 0.02 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 1u8s s LYS 179 Cb -0.12 -2.67 0.00 0.00 -2.06 0.00 0.00 37.83 32.97 1u8s s LYS 179 CO -0.03 0.17 0.42 0.27 0.10 0.00 0.00 175.35 176.29