#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8s n LEU 3 N 0.00 -6.04 -4.72 1.04 7.94 -1.26 -4.49 117.00 109.47 1u8s n LEU 3 Ca 0.00 0.33 -0.42 0.00 -1.11 0.00 0.00 56.01 54.81 1u8s n LEU 3 Cb 0.00 -2.76 -0.03 0.00 0.53 0.00 0.00 43.42 41.16 1u8s n LEU 3 CO 0.00 -1.58 1.22 -0.89 -1.11 0.00 0.00 177.39 175.03 1u8s s THR 4 N -2.16 2.69 0.01 1.96 2.01 -1.26 -4.14 115.64 114.75 1u8s s THR 4 Ca 0.29 0.49 0.03 0.00 0.31 0.00 0.00 61.69 62.81 1u8s s THR 4 Cb -0.06 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1u8s s THR 4 CO 0.79 0.04 -0.06 -1.10 -0.69 0.00 0.00 174.62 173.60 1u8s s GLN 5 N 1.18 2.54 -0.08 4.92 -1.52 0.11 -4.92 119.66 121.89 1u8s s GLN 5 Ca 0.70 -0.74 0.02 0.00 -1.95 0.00 0.00 55.36 53.39 1u8s s GLN 5 Cb -0.43 -2.50 -0.02 0.00 -0.22 0.00 0.00 33.01 29.84 1u8s s GLN 5 CO 0.31 0.60 -0.13 -1.01 -0.25 0.00 0.00 175.29 174.80 1u8s s HIS 6 N -1.03 2.75 -0.07 0.91 3.76 -1.25 -1.34 115.29 119.02 1u8s s HIS 6 Ca 0.18 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.77 1u8s s HIS 6 Cb -0.11 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.89 1u8s s HIS 6 CO 0.08 0.05 -0.07 -1.17 -0.85 0.00 0.00 174.74 172.79 1u8s s LEU 7 N -0.33 1.28 -0.21 0.89 2.96 0.07 -1.58 118.68 121.76 1u8s s LEU 7 Ca 0.03 -0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 1u8s s LEU 7 Cb -0.13 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 1u8s s LEU 7 CO 0.02 -0.06 0.43 -0.69 -1.32 0.00 0.00 176.35 174.73 1u8s s VAL 8 N 1.16 5.17 0.01 1.68 1.01 0.23 -1.05 120.40 128.62 1u8s s VAL 8 Ca -0.06 0.76 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1u8s s VAL 8 Cb -0.14 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1u8s s VAL 8 CO -0.01 0.22 -0.21 -0.63 0.00 0.00 0.00 175.10 174.47 1u8s s ILE 9 N 1.46 2.53 -0.02 2.22 1.01 0.25 -2.07 121.20 126.59 1u8s s ILE 9 Ca 0.20 -1.13 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1u8s s ILE 9 Cb -0.15 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.35 1u8s s ILE 9 CO 0.08 0.44 0.04 0.28 0.00 0.00 0.00 174.94 175.78 1u8s s THR 10 N -0.79 -0.05 0.06 2.92 -1.32 -0.31 -0.74 115.64 115.41 1u8s s THR 10 Ca 0.12 0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.79 1u8s s THR 10 Cb -0.10 -0.08 -0.03 0.00 -1.51 0.00 0.00 72.50 70.77 1u8s s THR 10 CO 0.02 0.07 -0.06 0.00 -2.21 0.00 0.00 174.62 172.45 1u8s s ALA 11 N 0.87 0.63 -0.24 11.08 0.00 -0.58 -0.75 121.76 132.78 1u8s s ALA 11 Ca -0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1u8s s ALA 11 Cb -0.10 0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.28 1u8s s ALA 11 CO -0.03 -0.18 0.41 0.08 0.00 0.00 0.00 175.76 176.05 1u8s s VAL 12 N -2.64 -0.66 0.28 0.00 1.01 -0.85 -1.17 120.40 116.38 1u8s s VAL 12 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1u8s s VAL 12 Cb -0.01 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 1u8s s VAL 12 CO -0.04 -0.05 0.31 -0.83 0.00 0.00 0.00 175.10 174.49 1u8s s GLY 13 N 2.60 1.62 0.04 4.51 0.00 -0.91 -2.68 107.32 112.50 1u8s s GLY 13 Ca 0.09 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.83 1u8s s GLY 13 CO -0.15 -1.22 1.52 -1.59 0.00 0.00 0.00 173.10 171.65 1u8s s THR 14 N -3.63 3.38 -0.07 0.90 2.01 -1.26 0.49 115.64 117.47 1u8s s THR 14 Ca 0.35 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 1u8s s THR 14 Cb 0.03 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 1u8s s THR 14 CO 0.19 0.00 1.98 -0.62 -0.69 0.00 0.00 174.62 175.48 1u8s s ASP 15 N 2.09 6.18 0.23 3.53 2.15 -0.52 -4.58 116.67 125.73 1u8s s ASP 15 Ca 0.68 2.32 0.01 0.00 0.43 0.00 0.00 52.55 56.00 1u8s s ASP 15 Cb -0.35 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 39.69 1u8s s ASP 15 CO 0.29 -1.32 0.08 0.00 -0.17 0.00 0.00 175.17 174.05 1u8s s ARG 16 N 4.98 1.30 0.35 4.34 1.70 -1.26 -4.92 118.95 125.44 1u8s s ARG 16 Ca 0.89 -1.68 -0.26 0.00 -0.47 0.00 0.00 55.73 54.21 1u8s s ARG 16 Cb -0.38 -0.15 -0.09 0.00 -0.57 0.00 0.00 34.95 33.77 1u8s s ARG 16 CO 0.38 -0.28 1.05 -1.25 -1.08 0.00 0.00 175.30 174.12 1u8s s PRO 17 N -4.03 4.36 0.00 3.89 0.04 -1.26 -3.40 135.00 134.60 1u8s s PRO 17 Ca 0.35 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1u8s s PRO 17 Cb 0.07 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1u8s s PRO 17 CO 0.11 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1u8s n GLY 18 N 0.65 0.80 0.33 0.56 0.00 -1.26 -4.85 105.19 101.43 1u8s n GLY 18 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 1.13 -0.47 -0.61 2.10 -1.97 -0.88 117.51 116.81 1u8s h ILE 19 Ca 0.00 -0.37 -0.13 0.00 1.08 0.00 0.00 64.86 65.43 1u8s h ILE 19 Cb 0.00 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 35.66 1u8s h ILE 19 CO 0.00 0.20 -0.22 0.00 -1.08 0.00 0.00 178.15 177.05 1u8s h ASN 21 N 0.84 0.38 -0.03 0.00 2.35 -1.65 -2.11 115.58 115.36 1u8s h ASN 21 Ca 0.11 0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.98 1u8s h ASN 21 Cb 0.80 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.15 1u8s h ASN 21 CO 0.07 0.19 -0.29 -0.33 -1.65 0.00 0.00 177.43 175.42 1u8s h GLU 22 N 0.53 -0.40 -0.10 0.81 4.39 -1.04 0.12 114.58 118.89 1u8s h GLU 22 Ca 0.38 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.14 1u8s h GLU 22 Cb 0.49 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 1u8s h GLU 22 CO -0.33 -0.27 -0.16 0.28 -1.16 0.00 0.00 179.01 177.37 1u8s h VAL 23 N -0.42 0.59 -0.20 3.13 2.07 -1.42 0.11 116.25 120.11 1u8s h VAL 23 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1u8s h VAL 23 Cb 0.52 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1u8s h VAL 23 CO -0.26 0.00 0.00 0.58 0.02 0.00 0.00 177.57 177.91 1u8s h VAL 24 N -0.21 1.13 0.00 2.57 2.07 -1.16 -1.47 116.25 119.18 1u8s h VAL 24 Ca 0.09 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1u8s h VAL 24 Cb 0.33 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1u8s h VAL 24 CO -0.23 0.16 -0.00 -0.09 0.02 0.00 0.00 177.57 177.44 1u8s h ARG 25 N 0.28 -0.00 -0.58 1.57 2.43 0.07 -2.12 114.38 116.03 1u8s h ARG 25 Ca 0.07 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1u8s h ARG 25 Cb 0.19 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1u8s h ARG 25 CO 0.00 0.57 0.33 1.25 -1.51 0.00 0.00 179.97 180.62 1u8s h LEU 26 N -0.59 0.51 -0.17 3.80 6.46 -0.58 0.03 115.31 124.76 1u8s h LEU 26 Ca -0.00 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1u8s h LEU 26 Cb 0.58 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 1u8s h LEU 26 CO 0.00 0.35 -0.04 0.58 -0.62 0.00 0.00 178.44 178.71 1u8s h VAL 27 N 0.63 1.29 -0.39 1.05 2.07 -1.33 -2.64 116.25 116.93 1u8s h VAL 27 Ca 0.24 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 1u8s h VAL 27 Cb 0.09 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1u8s h VAL 27 CO -0.14 0.30 -0.21 0.71 0.02 0.00 0.00 177.57 178.26 1u8s h THR 28 N 0.05 1.27 0.00 2.57 1.35 -1.23 -2.31 112.91 114.60 1u8s h THR 28 Ca 0.04 -1.31 -0.01 0.00 -0.55 0.00 0.00 66.41 64.58 1u8s h THR 28 Cb 0.48 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1u8s h THR 28 CO 0.02 0.44 -0.07 1.56 -0.25 0.00 0.00 175.52 177.22 1u8s h GLN 29 N 0.68 0.00 -0.04 4.72 4.20 -1.01 -1.29 115.11 122.36 1u8s h GLN 29 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1u8s h GLN 29 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1u8s h GLN 29 CO 0.05 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.28 1u8s n ALA 30 N -2.14 2.60 -0.99 3.87 0.00 -1.00 -4.88 120.51 117.98 1u8s n ALA 30 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1u8s n ALA 30 Cb 0.33 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.91 0.42 3.96 0.00 0.00 -0.49 -4.62 105.19 105.38 1u8s n GLY 31 Ca 0.16 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.07 5.59 -0.44 0.00 0.02 -0.08 -4.33 114.94 111.63 1u8s s ASN 33 Ca 0.40 0.14 -0.11 0.00 -1.02 0.00 0.00 52.86 52.27 1u8s s ASN 33 Cb -0.09 -1.59 0.08 0.00 0.02 0.00 0.00 41.25 39.66 1u8s s ASN 33 CO 0.33 0.29 0.30 -0.63 0.02 0.00 0.00 177.10 177.41 1u8s s ILE 34 N -1.15 4.54 0.14 0.60 1.01 -1.26 -1.58 121.20 123.50 1u8s s ILE 34 Ca 0.21 -1.30 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 1u8s s ILE 34 Cb -0.12 -3.75 -0.17 0.00 0.01 0.00 0.00 42.46 38.43 1u8s s ILE 34 CO 0.12 -0.53 1.33 0.40 0.00 0.00 0.00 174.94 176.26 1u8s h ILE 35 N 5.98 1.42 -2.00 2.92 2.04 -1.53 -3.49 117.51 122.86 1u8s h ILE 35 Ca -0.25 -2.48 0.24 0.00 1.00 0.00 0.00 64.86 63.37 1u8s h ILE 35 Cb 1.09 2.42 -0.09 0.00 -0.74 0.00 0.00 36.82 39.49 1u8s h ILE 35 CO 0.79 0.73 0.62 -0.62 0.00 0.00 0.00 178.15 179.68 1u8s s ASP 36 N -7.04 -0.13 -0.06 1.72 2.15 -1.16 -5.03 116.67 107.13 1u8s s ASP 36 Ca -0.05 -0.31 -0.31 0.00 0.43 0.00 0.00 52.55 52.31 1u8s s ASP 36 Cb 0.09 0.36 0.12 0.00 -0.30 0.00 0.00 42.92 43.19 1u8s s ASP 36 CO 0.86 -0.67 1.20 -0.94 -0.17 0.00 0.00 175.17 175.44 1u8s s SER 37 N -2.97 -0.12 -0.05 -0.34 1.04 -1.26 -1.67 113.70 108.33 1u8s s SER 37 Ca 0.13 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.47 1u8s s SER 37 Cb 0.01 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1u8s s SER 37 CO -0.00 -0.36 -0.05 -0.13 0.98 0.00 0.00 173.24 173.68 1u8s s ARG 38 N -2.56 0.90 -0.03 4.02 1.81 0.26 -4.95 118.95 118.40 1u8s s ARG 38 Ca 0.11 -0.12 0.06 0.00 -1.72 0.00 0.00 55.73 54.06 1u8s s ARG 38 Cb 0.02 -0.91 -0.01 0.00 -0.45 0.00 0.00 34.95 33.59 1u8s s ARG 38 CO -0.04 -0.09 -0.20 0.42 -0.68 0.00 0.00 175.30 174.71 1u8s s ILE 39 N 0.98 1.63 -0.01 1.52 1.01 -1.26 -0.75 121.20 124.32 1u8s s ILE 39 Ca -0.10 -0.87 -0.23 0.00 0.00 0.00 0.00 60.65 59.45 1u8s s ILE 39 Cb -0.14 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.01 1u8s s ILE 39 CO -0.00 0.46 0.50 0.00 0.00 0.00 0.00 174.94 175.90 1u8s s ALA 40 N -0.35 -1.28 -0.41 9.38 0.00 -0.71 -5.01 121.76 123.37 1u8s s ALA 40 Ca 0.05 0.74 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 1u8s s ALA 40 Cb -0.09 0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.28 1u8s s ALA 40 CO 0.00 -0.38 0.20 1.41 0.00 0.00 0.00 175.76 177.00 1u8s s MET 41 N -1.65 2.04 -0.22 0.00 1.75 -1.26 -0.59 119.30 119.36 1u8s s MET 41 Ca -0.10 -1.80 -0.09 0.00 -1.25 0.00 0.00 55.69 52.46 1u8s s MET 41 Cb -0.02 -3.58 -0.04 0.00 2.84 0.00 0.00 34.83 34.02 1u8s s MET 41 CO 0.04 -1.06 0.11 -0.06 -0.65 0.00 0.00 175.02 173.40 1u8s s PHE 42 N 1.16 3.23 0.00 4.11 0.08 -0.83 -4.88 117.98 120.86 1u8s s PHE 42 Ca 0.08 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.15 1u8s s PHE 42 Cb -0.23 -2.20 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 1u8s s PHE 42 CO -0.04 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 1u8s n GLY 43 N 4.22 0.77 0.32 4.36 0.00 -1.26 -0.80 105.19 112.80 1u8s n GLY 43 Ca -0.16 0.47 0.02 0.00 0.00 0.00 0.00 46.02 46.35 1u8s n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u8s n LYS 44 N 0.00 0.37 -4.38 1.61 4.81 -1.26 -5.08 118.16 114.23 1u8s n LYS 44 Ca 0.00 -1.23 -0.32 0.00 -0.87 0.00 0.00 58.31 55.88 1u8s n LYS 44 Cb 0.00 -0.71 -0.10 0.00 0.02 0.00 0.00 35.03 34.25 1u8s n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1u8s s GLU 45 N -0.57 2.61 0.08 1.64 0.41 0.01 -1.44 118.70 121.45 1u8s s GLU 45 Ca 0.06 -0.70 -0.28 0.00 -0.41 0.00 0.00 54.97 53.64 1u8s s GLU 45 Cb 0.05 -2.55 -0.06 0.00 -1.78 0.00 0.00 34.13 29.79 1u8s s GLU 45 CO 0.01 0.60 0.87 0.12 -0.49 0.00 0.00 175.26 176.37 1u8s s PHE 46 N -1.04 3.78 -0.08 1.61 5.36 0.18 -1.96 117.98 125.83 1u8s s PHE 46 Ca 0.18 1.65 0.02 0.00 -0.96 0.00 0.00 56.93 57.82 1u8s s PHE 46 Cb -0.11 -2.94 0.01 0.00 -0.34 0.00 0.00 43.02 39.64 1u8s s PHE 46 CO 0.09 0.25 -0.13 0.99 -1.46 0.00 0.00 175.22 174.96 1u8s s THR 47 N -0.06 1.24 -0.02 0.12 2.01 0.24 -2.15 115.64 117.02 1u8s s THR 47 Ca 0.43 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.92 1u8s s THR 47 Cb -0.22 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.17 1u8s s THR 47 CO 0.27 0.38 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.31 1u8s s LEU 48 N 0.77 1.65 -0.09 4.42 2.96 -0.32 -1.74 118.68 126.33 1u8s s LEU 48 Ca -0.12 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1u8s s LEU 48 Cb -0.16 -0.34 0.00 0.00 0.50 0.00 0.00 46.19 46.20 1u8s s LEU 48 CO 0.02 0.00 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.09 1u8s s LEU 49 N 0.40 1.95 -0.13 -0.68 1.43 0.07 -1.53 118.68 120.19 1u8s s LEU 49 Ca -0.05 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1u8s s LEU 49 Cb -0.08 -1.24 0.04 0.00 0.03 0.00 0.00 46.19 44.94 1u8s s LEU 49 CO -0.00 0.11 0.35 -0.32 0.23 0.00 0.00 176.35 176.72 1u8s s MET 50 N 0.49 0.39 -0.24 1.70 1.75 0.08 0.89 119.30 124.36 1u8s s MET 50 Ca -0.16 0.51 0.01 0.00 -1.25 0.00 0.00 55.69 54.80 1u8s s MET 50 Cb -0.17 0.15 0.04 0.00 2.84 0.00 0.00 34.83 37.69 1u8s s MET 50 CO 0.06 -0.07 -0.11 -1.17 -0.65 0.00 0.00 175.02 173.08 1u8s s LEU 51 N 0.37 3.07 0.42 4.11 2.96 -0.67 0.87 118.68 129.80 1u8s s LEU 51 Ca -0.02 -1.06 0.07 0.00 -0.22 0.00 0.00 54.13 52.91 1u8s s LEU 51 Cb -0.04 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 1u8s s LEU 51 CO -0.01 -0.13 0.10 0.27 -1.32 0.00 0.00 176.35 175.25 1u8s s ILE 52 N 1.22 2.09 0.09 6.68 -4.36 -0.22 -1.28 121.20 125.43 1u8s s ILE 52 Ca -0.03 -1.85 -0.18 0.00 -0.26 0.00 0.00 60.65 58.33 1u8s s ILE 52 Cb -0.17 -2.94 0.04 0.00 1.25 0.00 0.00 42.46 40.63 1u8s s ILE 52 CO -0.07 0.00 0.44 -0.94 0.24 0.00 0.00 174.94 174.61 1u8s s SER 53 N -3.82 -0.30 0.00 4.36 1.04 -0.62 -0.75 113.70 113.61 1u8s s SER 53 Ca 0.36 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1u8s s SER 53 Cb 0.07 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1u8s s SER 53 CO 0.19 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1u8s n GLY 54 N 0.06 -1.30 3.79 7.32 0.00 -0.45 -0.91 105.19 113.69 1u8s n GLY 54 Ca -0.17 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.09 4.42 0.35 1.61 1.04 -1.26 0.10 113.70 116.86 1u8s s SER 55 Ca 0.00 1.43 0.06 0.00 0.48 0.00 0.00 55.95 57.91 1u8s s SER 55 Cb 0.00 -2.17 0.73 0.00 0.10 0.00 0.00 66.02 64.68 1u8s s SER 55 CO 0.00 -2.03 1.94 -0.65 0.98 0.00 0.00 173.24 173.48 1u8s h PRO 56 N -1.13 0.76 -0.36 4.02 0.11 -1.79 -0.08 132.00 133.52 1u8s h PRO 56 Ca -0.47 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1u8s h PRO 56 Cb 1.26 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1u8s h PRO 56 CO 0.57 0.50 0.18 0.77 -0.21 0.00 0.00 178.00 179.81 1u8s h SER 57 N 0.78 0.48 -0.24 -2.05 0.02 -1.95 0.52 113.55 111.10 1u8s h SER 57 Ca 0.34 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1u8s h SER 57 Cb 0.31 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1u8s h SER 57 CO -0.12 0.47 -0.29 0.78 -1.14 0.00 0.00 176.83 176.52 1u8s h ASN 58 N 0.45 0.68 -0.62 3.07 2.35 -1.64 -0.85 115.58 119.01 1u8s h ASN 58 Ca 0.13 -0.49 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 1u8s h ASN 58 Cb 0.12 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1u8s h ASN 58 CO -0.02 1.04 0.27 0.40 -1.65 0.00 0.00 177.43 177.48 1u8s h ILE 59 N 0.34 1.22 -0.50 2.81 1.08 -0.99 -0.06 117.51 121.42 1u8s h ILE 59 Ca 0.03 -0.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 1u8s h ILE 59 Cb 0.87 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 1u8s h ILE 59 CO 0.07 0.27 0.17 0.74 -0.69 0.00 0.00 178.15 178.71 1u8s h THR 60 N 0.86 1.20 -0.27 -0.27 2.02 -0.80 0.24 112.91 115.88 1u8s h THR 60 Ca 0.21 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1u8s h THR 60 Cb 0.16 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1u8s h THR 60 CO -0.02 0.25 0.12 -0.09 0.37 0.00 0.00 175.52 176.15 1u8s h ARG 61 N 0.72 0.40 -0.30 6.66 2.43 -0.21 0.04 114.38 124.12 1u8s h ARG 61 Ca 0.17 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 1u8s h ARG 61 Cb 0.19 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1u8s h ARG 61 CO -0.01 0.40 0.05 0.28 -1.51 0.00 0.00 179.97 179.18 1u8s h VAL 62 N 0.30 1.23 -0.72 0.20 2.07 -0.44 -0.21 116.25 118.69 1u8s h VAL 62 Ca 0.09 -0.81 0.11 0.00 0.82 0.00 0.00 66.70 66.92 1u8s h VAL 62 Cb 0.14 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1u8s h VAL 62 CO -0.01 0.26 0.47 -0.33 0.02 0.00 0.00 177.57 177.99 1u8s h GLU 63 N 0.32 0.53 -0.05 1.57 5.08 -0.33 0.61 114.58 122.31 1u8s h GLU 63 Ca 0.09 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1u8s h GLU 63 Cb 0.34 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1u8s h GLU 63 CO 0.01 0.35 -0.37 1.15 -1.00 0.00 0.00 179.01 179.14 1u8s h THR 64 N 0.54 1.43 0.00 1.13 2.02 -0.33 -3.38 112.91 114.32 1u8s h THR 64 Ca 0.34 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.70 1u8s h THR 64 Cb 0.58 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1u8s h THR 64 CO -0.11 0.52 -0.94 0.35 0.37 0.00 0.00 175.52 175.71 1u8s n THR 65 N -4.39 0.14 0.05 3.16 -2.24 -0.15 -4.39 114.28 106.46 1u8s n THR 65 Ca -0.09 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1u8s n THR 65 Cb 0.54 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.95 1u8s n THR 65 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1u8s h LEU 66 N 0.00 -0.07 -0.84 3.22 5.85 -1.06 -2.26 115.31 120.15 1u8s h LEU 66 Ca 0.00 -0.21 0.15 0.00 0.84 0.00 0.00 57.88 58.66 1u8s h LEU 66 Cb 0.68 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.63 1u8s h LEU 66 CO 0.00 0.17 0.42 -0.65 -0.34 0.00 0.00 178.44 178.03 1u8s h PRO 67 N -0.31 0.57 -0.29 5.25 0.11 -1.77 -0.99 132.00 134.56 1u8s h PRO 67 Ca -0.01 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.09 1u8s h PRO 67 Cb 0.28 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1u8s h PRO 67 CO 0.01 0.38 0.14 -0.07 -0.21 0.00 0.00 178.00 178.25 1u8s h LEU 68 N 0.58 0.21 -0.61 2.35 3.38 -1.74 0.18 115.31 119.65 1u8s h LEU 68 Ca 0.46 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.53 1u8s h LEU 68 Cb 0.68 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1u8s h LEU 68 CO -0.38 0.16 0.27 0.25 0.09 0.00 0.00 178.44 178.83 1u8s h LEU 69 N 0.30 0.34 -0.42 1.67 5.85 -0.62 -1.05 115.31 121.38 1u8s h LEU 69 Ca 0.12 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1u8s h LEU 69 Cb 0.04 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1u8s h LEU 69 CO -0.09 0.21 0.23 1.23 -0.34 0.00 0.00 178.44 179.68 1u8s h GLY 70 N 0.49 0.58 1.18 3.75 0.00 -0.36 -0.73 103.07 107.98 1u8s h GLY 70 Ca 0.30 -0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.55 1u8s h GLY 70 CO -0.25 0.14 0.33 -1.61 0.00 0.00 0.00 176.54 175.14 1u8s h GLN 71 N 0.47 0.22 0.16 4.80 5.75 0.21 0.21 115.11 126.93 1u8s h GLN 71 Ca 0.17 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1u8s h GLN 71 Cb 0.04 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1u8s h GLN 71 CO -0.10 0.14 -0.08 1.96 -2.65 0.00 0.00 178.83 178.11 1u8s h GLN 72 N 0.22 -0.21 -0.69 1.69 1.08 -0.07 -3.31 115.11 113.82 1u8s h GLN 72 Ca 0.22 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1u8s h GLN 72 Cb 0.58 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1u8s h GLN 72 CO -0.04 0.18 0.00 0.72 -0.95 0.00 0.00 178.83 178.74 1u8s n HIS 73 N -4.99 1.51 -3.00 2.96 8.25 -0.72 -4.90 115.22 114.34 1u8s n HIS 73 Ca -0.09 -0.53 -0.22 0.00 -0.26 0.00 0.00 57.72 56.63 1u8s n HIS 73 Cb 0.25 -0.39 0.02 0.00 1.12 0.00 0.00 29.99 30.99 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 0.49 -5.25 -4.56 0.41 9.92 0.11 -4.74 116.55 112.93 1u8s n ASP 74 Ca 0.20 -0.24 -0.38 0.00 -0.53 0.00 0.00 54.79 53.84 1u8s n ASP 74 Cb 0.93 -4.29 -0.11 0.00 -0.64 0.00 0.00 41.12 37.01 1u8s n ASP 74 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1u8s s LEU 75 N -6.47 4.06 -0.21 0.64 2.96 0.51 -4.46 118.68 115.71 1u8s s LEU 75 Ca 0.27 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.89 1u8s s LEU 75 Cb -0.13 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1u8s s LEU 75 CO 0.33 -0.09 0.49 0.27 -1.32 0.00 0.00 176.35 176.04 1u8s s ILE 76 N 1.74 5.12 0.32 6.68 -4.36 -1.09 -4.19 121.20 125.42 1u8s s ILE 76 Ca 0.07 0.88 0.10 0.00 -0.26 0.00 0.00 60.65 61.44 1u8s s ILE 76 Cb -0.16 -3.81 -0.06 0.00 1.25 0.00 0.00 42.46 39.68 1u8s s ILE 76 CO 0.10 0.18 -0.12 0.42 0.24 0.00 0.00 174.94 175.76 1u8s s THR 77 N 1.67 2.39 -0.03 8.37 -4.23 -1.26 -2.02 115.64 120.53 1u8s s THR 77 Ca 0.22 -2.25 -0.02 0.00 -1.18 0.00 0.00 61.69 58.46 1u8s s THR 77 Cb -0.15 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.15 1u8s s THR 77 CO 0.09 -0.27 0.07 -0.32 -0.54 0.00 0.00 174.62 173.65 1u8s s MET 78 N -3.59 0.07 0.08 3.99 0.00 0.07 -5.00 119.30 114.93 1u8s s MET 78 Ca 0.32 0.13 0.02 0.00 0.00 0.00 0.00 55.69 56.16 1u8s s MET 78 Cb -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 34.83 34.78 1u8s s MET 78 CO 0.16 -0.04 -0.08 -1.64 0.00 0.00 0.00 175.02 173.42 1u8s s MET 79 N 0.24 0.76 -0.28 4.11 -1.94 -1.26 -1.16 119.30 119.77 1u8s s MET 79 Ca -0.02 -1.13 -0.18 0.00 -1.71 0.00 0.00 55.69 52.65 1u8s s MET 79 Cb -0.03 -0.32 0.10 0.00 2.01 0.00 0.00 34.83 36.59 1u8s s MET 79 CO -0.01 0.03 0.80 0.21 -0.01 0.00 0.00 175.02 176.04 1u8s s LYS 80 N -2.94 0.62 0.49 2.03 2.20 -0.88 -5.00 119.74 116.26 1u8s s LYS 80 Ca 0.04 0.99 -0.18 0.00 -0.36 0.00 0.00 55.97 56.46 1u8s s LYS 80 Cb -0.01 0.17 -0.09 0.00 -1.51 0.00 0.00 37.83 36.39 1u8s s LYS 80 CO -0.02 -0.12 0.98 1.03 -0.36 0.00 0.00 175.35 176.86 1u8s s ARG 81 N 1.27 4.02 0.34 4.03 0.52 -1.26 -0.60 118.95 127.27 1u8s s ARG 81 Ca -0.07 1.02 -0.04 0.00 -0.52 0.00 0.00 55.73 56.12 1u8s s ARG 81 Cb -0.05 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.28 1u8s s ARG 81 CO -0.15 -0.21 0.50 -0.08 0.02 0.00 0.00 175.30 175.39 1u8s s THR 82 N -2.46 0.00 0.39 0.02 -1.32 -0.61 -4.90 115.64 106.76 1u8s s THR 82 Ca 0.60 -1.53 -0.05 0.00 -1.21 0.00 0.00 61.69 59.50 1u8s s THR 82 Cb -0.10 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.21 1u8s s THR 82 CO 0.25 0.00 0.68 -0.44 -2.21 0.00 0.00 174.62 172.90 1u8s s SER 83 N -3.20 6.36 0.23 8.08 0.01 -1.26 -3.87 113.70 120.04 1u8s s SER 83 Ca 0.28 0.81 -0.17 0.00 1.31 0.00 0.00 55.95 58.19 1u8s s SER 83 Cb -0.01 -2.19 -0.11 0.00 0.21 0.00 0.00 66.02 63.92 1u8s s SER 83 CO 0.19 -0.40 0.18 -2.65 0.41 0.00 0.00 173.24 170.97 1u8s n PRO 84 N -1.68 0.00 -2.98 12.44 -0.02 -1.26 -4.87 135.00 136.62 1u8s n PRO 84 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 1u8s n PRO 84 Cb 0.55 -0.70 -0.05 0.00 -0.02 0.00 0.00 33.50 33.27 1u8s n PRO 84 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1u8s s HIS 85 N -1.00 3.12 -1.46 6.00 2.46 -1.26 -4.97 115.29 118.18 1u8s s HIS 85 Ca 0.43 0.51 -0.09 0.00 0.47 0.00 0.00 55.06 56.38 1u8s s HIS 85 Cb -0.53 -3.36 0.03 0.00 -0.13 0.00 0.00 32.58 28.60 1u8s s HIS 85 CO 0.42 -0.72 2.52 -0.25 -2.47 0.00 0.00 174.74 174.25 1u8s n ASP 86 N 6.35 7.36 -4.50 9.88 9.92 -1.26 -4.95 116.55 139.36 1u8s n ASP 86 Ca 0.02 -2.87 -0.40 0.00 -0.53 0.00 0.00 54.79 51.01 1u8s n ASP 86 Cb 0.48 -1.50 -0.15 0.00 -0.64 0.00 0.00 41.12 39.32 1u8s n ASP 86 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1u8s n HIS 87 N 3.34 0.58 -2.98 1.24 -0.00 -1.26 -4.90 115.22 111.25 1u8s n HIS 87 Ca 0.64 0.35 -0.36 0.00 0.46 0.00 0.00 57.72 58.82 1u8s n HIS 87 Cb 0.28 -2.32 -0.06 0.00 -0.12 0.00 0.00 29.99 27.76 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 8.89 4.34 -0.07 1.57 -1.52 -1.26 -5.08 119.66 126.53 1u8s s GLN 88 Ca 1.34 1.02 0.02 0.00 -1.95 0.00 0.00 55.36 55.80 1u8s s GLN 88 Cb -1.19 -2.76 -0.02 0.00 -0.22 0.00 0.00 33.01 28.82 1u8s s GLN 88 CO 0.48 0.30 -0.13 0.95 -0.25 0.00 0.00 175.29 176.64 1u8s s THR 89 N -1.65 3.16 -0.13 -0.19 -4.23 -1.26 -5.12 115.64 106.23 1u8s s THR 89 Ca 0.48 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 60.33 1u8s s THR 89 Cb -0.16 -2.26 -0.00 0.00 1.34 0.00 0.00 72.50 71.41 1u8s s THR 89 CO 0.21 0.58 -0.18 -1.00 -0.54 0.00 0.00 174.62 173.69 1u8s s HIS 90 N -0.52 2.71 0.29 3.99 0.09 -1.26 -4.81 115.29 115.79 1u8s s HIS 90 Ca 0.07 -0.93 0.08 0.00 -0.00 0.00 0.00 55.06 54.28 1u8s s HIS 90 Cb -0.12 -1.81 0.44 0.00 -0.00 0.00 0.00 32.58 31.09 1u8s s HIS 90 CO 0.02 -0.38 1.68 0.00 -0.00 0.00 0.00 174.74 176.06 1u8s h ALA 91 N 6.91 1.08 -2.81 -1.40 0.00 -1.84 -3.43 119.26 117.77 1u8s h ALA 91 Ca -0.26 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 1u8s h ALA 91 Cb 1.21 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.73 1u8s h ALA 91 CO 0.53 0.63 -0.72 0.71 0.00 0.00 0.00 179.25 180.40 1u8s s TYR 92 N -3.99 0.67 -0.14 0.00 2.02 -0.49 -3.50 117.35 111.93 1u8s s TYR 92 Ca -0.04 -0.67 0.01 0.00 -0.37 0.00 0.00 57.07 56.00 1u8s s TYR 92 Cb 0.13 -0.41 -0.01 0.00 -0.40 0.00 0.00 41.96 41.28 1u8s s TYR 92 CO 0.77 -0.14 -0.16 0.99 -1.57 0.00 0.00 175.55 175.44 1u8s s THR 93 N -2.23 2.71 -0.24 -0.71 2.01 0.17 -1.68 115.64 115.67 1u8s s THR 93 Ca -0.03 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1u8s s THR 93 Cb -0.04 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.35 1u8s s THR 93 CO -0.02 0.53 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.72 1u8s s VAL 94 N 0.55 3.35 -0.21 3.82 1.01 0.42 -0.39 120.40 128.95 1u8s s VAL 94 Ca -0.10 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1u8s s VAL 94 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1u8s s VAL 94 CO 0.04 0.29 0.38 -1.61 0.00 0.00 0.00 175.10 174.19 1u8s s GLU 95 N 1.44 4.16 -0.09 2.72 2.02 -0.41 -1.12 118.70 127.42 1u8s s GLU 95 Ca 0.03 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1u8s s GLU 95 Cb -0.16 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.51 1u8s s GLU 95 CO -0.02 -0.03 -0.07 0.08 0.02 0.00 0.00 175.26 175.24 1u8s s VAL 96 N 1.29 3.69 -0.05 2.63 1.01 0.20 -0.47 120.40 128.70 1u8s s VAL 96 Ca 0.18 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1u8s s VAL 96 Cb -0.15 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1u8s s VAL 96 CO 0.08 0.58 0.01 -0.47 0.00 0.00 0.00 175.10 175.30 1u8s s TYR 97 N -0.54 0.41 -0.09 5.22 5.04 -0.97 -1.05 117.35 125.36 1u8s s TYR 97 Ca 0.08 -0.01 0.03 0.00 -2.44 0.00 0.00 57.07 54.73 1u8s s TYR 97 Cb -0.12 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.61 1u8s s TYR 97 CO 0.02 -0.22 -0.18 0.08 -1.34 0.00 0.00 175.55 173.90 1u8s s VAL 98 N 1.67 1.62 -0.14 3.14 1.01 -0.29 -1.45 120.40 125.95 1u8s s VAL 98 Ca -0.00 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1u8s s VAL 98 Cb -0.13 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1u8s s VAL 98 CO -0.03 0.46 -0.18 -1.61 0.00 0.00 0.00 175.10 173.74 1u8s s GLU 99 N 0.58 2.65 0.16 2.72 2.02 -0.12 -0.95 118.70 125.77 1u8s s GLU 99 Ca -0.15 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 1u8s s GLU 99 Cb -0.17 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 1u8s s GLU 99 CO 0.05 -0.12 0.08 0.45 0.02 0.00 0.00 175.26 175.74 1u8s s SER 100 N 1.11 0.35 -0.36 -0.19 0.15 -0.94 -1.93 113.70 111.89 1u8s s SER 100 Ca -0.02 -1.28 0.07 0.00 0.70 0.00 0.00 55.95 55.42 1u8s s SER 100 Cb -0.14 0.31 0.54 0.00 -1.71 0.00 0.00 66.02 65.01 1u8s s SER 100 CO -0.06 -0.76 1.60 -0.90 1.20 0.00 0.00 173.24 174.32 1u8s n ASP 101 N -0.18 3.35 -3.71 5.45 5.75 -1.26 -0.35 116.55 125.60 1u8s n ASP 101 Ca -0.03 -3.76 -0.14 0.00 -0.01 0.00 0.00 54.79 50.86 1u8s n ASP 101 Cb 0.65 -0.69 -0.09 0.00 -1.03 0.00 0.00 41.12 39.95 1u8s n ASP 101 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1u8s s ASP 102 N -2.29 -0.44 -0.24 -1.12 -1.08 -1.26 -4.91 116.67 105.33 1u8s s ASP 102 Ca 0.50 0.77 -0.15 0.00 -0.52 0.00 0.00 52.55 53.14 1u8s s ASP 102 Cb 0.43 0.80 -0.17 0.00 -1.46 0.00 0.00 42.92 42.53 1u8s s ASP 102 CO 0.02 -0.24 -0.05 1.17 0.52 0.00 0.00 175.17 176.59 1u8s n LYS 103 N 2.42 0.60 -0.35 4.34 0.00 -1.26 -4.57 118.16 119.34 1u8s n LYS 103 Ca -0.15 0.38 -0.13 0.00 0.00 0.00 0.00 58.31 58.41 1u8s n LYS 103 Cb 0.57 -1.62 -0.03 0.00 0.00 0.00 0.00 35.03 33.95 1u8s n LYS 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1u8s n LEU 104 N -4.17 0.13 -2.76 3.14 7.99 -1.26 -1.99 117.00 118.08 1u8s n LEU 104 Ca -0.43 0.11 -0.09 0.00 -0.01 0.00 0.00 56.01 55.59 1u8s n LEU 104 Cb 0.83 -0.23 -0.01 0.00 -0.11 0.00 0.00 43.42 43.90 1u8s n LEU 104 CO 0.15 -0.19 -0.05 0.61 -1.51 0.00 0.00 177.39 176.40 1u8s n GLY 105 N 1.78 -0.49 0.13 -0.72 0.00 -1.26 -4.83 105.19 99.80 1u8s n GLY 105 Ca 0.15 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.17 0.62 0.28 0.99 5.85 -1.74 -3.35 115.31 117.79 1u8s h LEU 106 Ca -0.15 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.65 1u8s h LEU 106 Cb 1.11 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1u8s h LEU 106 CO 0.20 1.60 -0.36 0.74 -0.34 0.00 0.00 178.44 180.28 1u8s h THR 107 N -0.11 0.26 -1.03 1.05 2.02 -1.88 -2.16 112.91 111.06 1u8s h THR 107 Ca -0.23 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.22 1u8s h THR 107 Cb 1.92 0.26 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 1u8s h THR 107 CO 0.19 0.00 0.69 -0.33 0.37 0.00 0.00 175.52 176.44 1u8s h GLU 108 N -0.69 0.26 -0.50 6.66 3.07 -1.97 -0.73 114.58 120.68 1u8s h GLU 108 Ca -0.01 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.89 1u8s h GLU 108 Cb 0.65 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 1u8s h GLU 108 CO -0.11 0.17 0.24 0.87 -1.40 0.00 0.00 179.01 178.78 1u8s h LYS 109 N 0.27 0.45 0.02 2.33 6.56 -1.53 0.24 116.57 124.91 1u8s h LYS 109 Ca 0.55 -0.03 -0.21 0.00 -1.06 0.00 0.00 60.65 59.90 1u8s h LYS 109 Cb 1.64 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 33.19 1u8s h LYS 109 CO -0.19 0.30 -0.94 0.74 -2.06 0.00 0.00 179.45 177.31 1u8s h PHE 110 N 0.47 0.34 -0.28 -1.35 0.04 -1.14 -0.62 116.94 114.40 1u8s h PHE 110 Ca 0.22 -0.20 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 1u8s h PHE 110 Cb 0.16 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1u8s h PHE 110 CO -0.11 1.04 -0.22 1.79 -0.60 0.00 0.00 178.31 180.20 1u8s h THR 111 N 0.11 1.30 -0.43 -1.55 1.35 -1.29 -2.46 112.91 109.94 1u8s h THR 111 Ca -0.06 -1.37 0.02 0.00 -0.55 0.00 0.00 66.41 64.45 1u8s h THR 111 Cb 1.59 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 69.55 1u8s h THR 111 CO 0.15 0.44 0.26 -0.61 -0.25 0.00 0.00 175.52 175.50 1u8s h GLN 112 N 0.39 0.51 -0.81 4.72 5.75 -0.94 0.14 115.11 124.86 1u8s h GLN 112 Ca 0.05 -0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.71 1u8s h GLN 112 Cb 0.77 -0.12 -0.12 0.00 1.07 0.00 0.00 27.48 29.08 1u8s h GLN 112 CO 0.06 0.34 0.21 0.35 -2.65 0.00 0.00 178.83 177.13 1u8s h PHE 113 N 0.53 0.32 0.13 3.99 3.57 -0.84 0.19 116.94 124.82 1u8s h PHE 113 Ca 0.17 0.05 -0.30 0.00 3.53 0.00 0.00 57.97 61.42 1u8s h PHE 113 Cb -0.00 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1u8s h PHE 113 CO -0.07 -0.14 -1.46 0.74 -2.23 0.00 0.00 178.31 175.16 1u8s h PHE 114 N 0.25 0.49 -0.07 0.41 0.04 -0.94 -3.19 116.94 113.93 1u8s h PHE 114 Ca 0.48 -0.35 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1u8s h PHE 114 Cb 0.89 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.01 1u8s h PHE 114 CO -0.26 1.37 0.03 0.00 -0.60 0.00 0.00 178.31 178.85 1u8s h ALA 115 N 0.50 0.09 -0.87 2.45 0.00 -0.13 0.11 119.26 121.41 1u8s h ALA 115 Ca -0.22 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1u8s h ALA 115 Cb 2.01 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.68 1u8s h ALA 115 CO 0.18 -0.36 0.44 0.37 0.00 0.00 0.00 179.25 179.88 1u8s h GLN 116 N -0.01 0.58 -0.48 0.00 4.15 -0.76 0.14 115.11 118.74 1u8s h GLN 116 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1u8s h GLN 116 Cb 0.11 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.67 1u8s h GLN 116 CO -0.00 0.38 0.00 0.54 -1.93 0.00 0.00 178.83 177.82 1u8s n ARG 117 N -4.89 2.00 -3.94 1.69 1.74 -1.01 -4.91 116.66 107.34 1u8s n ARG 117 Ca 0.18 -1.17 -0.30 0.00 -0.77 0.00 0.00 57.85 55.80 1u8s n ARG 117 Cb 0.48 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.52 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 0.35 -5.14 -3.87 5.56 6.02 0.50 -4.95 117.38 115.85 1u8s n GLN 118 Ca 0.11 0.57 -0.36 0.00 -0.01 0.00 0.00 57.00 57.31 1u8s n GLN 118 Cb 0.38 -5.39 -0.13 0.00 1.02 0.00 0.00 30.24 26.12 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 -3.35 3.35 0.34 5.09 1.01 0.33 -5.02 121.20 122.95 1u8s s ILE 119 Ca 0.61 -0.97 -0.26 0.00 0.00 0.00 0.00 60.65 60.02 1u8s s ILE 119 Cb -0.31 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.31 1u8s s ILE 119 CO 0.84 0.08 1.05 -0.83 0.00 0.00 0.00 174.94 176.08 1u8s s GLY 120 N 1.38 2.88 -0.13 6.18 0.00 -1.23 -4.25 107.32 112.14 1u8s s GLY 120 Ca 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 44.72 45.39 1u8s s GLY 120 CO -0.01 1.23 0.12 1.06 0.00 0.00 0.00 173.10 175.51 1u8s s MET 121 N -2.02 3.56 -0.16 2.90 1.00 -1.26 0.51 119.30 123.82 1u8s s MET 121 Ca 0.52 -0.18 0.17 0.00 0.00 0.00 0.00 55.69 56.20 1u8s s MET 121 Cb -0.25 -3.20 -0.24 0.00 0.00 0.00 0.00 34.83 31.14 1u8s s MET 121 CO 0.32 0.67 0.12 0.00 0.00 0.00 0.00 175.02 176.12 1u8s n ALA 122 N 2.33 1.72 -3.35 3.03 0.00 0.75 -4.96 120.51 120.04 1u8s n ALA 122 Ca -0.19 -1.10 -0.15 0.00 0.00 0.00 0.00 53.44 51.99 1u8s n ALA 122 Cb 0.54 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 -5.11 -0.41 -0.18 0.00 1.04 -1.19 -5.01 113.70 102.84 1u8s s SER 123 Ca -0.09 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.55 1u8s s SER 123 Cb 0.07 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.67 1u8s s SER 123 CO 0.76 -0.56 0.45 -0.22 0.98 0.00 0.00 173.24 174.65 1u8s s LEU 124 N -1.42 -0.06 -0.03 2.42 2.96 -1.26 -2.23 118.68 119.07 1u8s s LEU 124 Ca -0.11 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 1u8s s LEU 124 Cb -0.02 1.52 0.02 0.00 0.50 0.00 0.00 46.19 48.20 1u8s s LEU 124 CO 0.05 -0.19 -0.05 -0.94 -1.32 0.00 0.00 176.35 173.91 1u8s s SER 125 N 1.04 0.84 -0.30 3.68 1.04 -0.73 -4.99 113.70 114.28 1u8s s SER 125 Ca -0.06 -0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 1u8s s SER 125 Cb -0.06 -0.33 0.12 0.00 0.10 0.00 0.00 66.02 65.84 1u8s s SER 125 CO -0.09 -0.02 0.22 0.00 0.98 0.00 0.00 173.24 174.33 1u8s s ALA 126 N 0.62 0.13 0.08 5.32 0.00 -1.26 -0.51 121.76 126.15 1u8s s ALA 126 Ca -0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 1u8s s ALA 126 Cb -0.11 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1u8s s ALA 126 CO 0.00 -1.73 0.09 1.14 0.00 0.00 0.00 175.76 175.26 1u8s s GLN 127 N 2.12 0.78 0.20 0.00 -2.07 -0.66 -4.98 119.66 115.06 1u8s s GLN 127 Ca 0.10 -1.14 -0.16 0.00 -1.82 0.00 0.00 55.36 52.34 1u8s s GLN 127 Cb -0.15 0.28 -0.08 0.00 -1.09 0.00 0.00 33.01 31.97 1u8s s GLN 127 CO -0.31 -0.22 0.64 0.95 -1.32 0.00 0.00 175.29 175.03 1u8s s THR 128 N -3.92 4.73 0.02 3.63 -4.23 -1.26 -0.47 115.64 114.14 1u8s s THR 128 Ca 0.09 0.98 0.08 0.00 -1.18 0.00 0.00 61.69 61.66 1u8s s THR 128 Cb 0.06 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.12 1u8s s THR 128 CO -0.08 0.15 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.29 1u8s s ILE 129 N -1.58 1.81 -0.23 2.99 1.01 0.07 -4.93 121.20 120.34 1u8s s ILE 129 Ca 0.43 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1u8s s ILE 129 Cb -0.15 -1.54 0.06 0.00 0.01 0.00 0.00 42.46 40.84 1u8s s ILE 129 CO 0.20 0.35 -0.08 -0.94 0.00 0.00 0.00 174.94 174.47 1u8s s SER 130 N -0.96 3.90 0.00 3.58 1.04 -1.26 -3.34 113.70 116.66 1u8s s SER 130 Ca 0.09 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1u8s s SER 130 Cb -0.09 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1u8s s SER 130 CO 0.01 -0.20 0.18 -0.46 0.98 0.00 0.00 173.24 173.75 1u8s n ASN 139 N 4.61 0.34 -4.20 7.02 0.23 -1.26 -5.28 115.26 116.72 1u8s n ASN 139 Ca -0.13 -0.70 -0.32 0.00 -0.53 0.00 0.00 54.58 52.90 1u8s n ASN 139 Cb 0.44 -0.17 -0.17 0.00 -2.08 0.00 0.00 39.78 37.81 1u8s n ASN 139 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1u8s s GLN 140 N -1.04 3.05 -0.34 -3.83 -0.21 -1.21 -4.51 119.66 111.57 1u8s s GLN 140 Ca 0.00 -0.86 -0.18 0.00 0.02 0.00 0.00 55.36 54.35 1u8s s GLN 140 Cb 0.00 -2.40 -0.01 0.00 1.00 0.00 0.00 33.01 31.60 1u8s s GLN 140 CO 0.00 0.06 0.50 0.12 -2.12 0.00 0.00 175.29 173.85 1u8s s PHE 141 N 0.64 3.19 -0.00 0.91 5.36 0.53 -0.75 117.98 127.85 1u8s s PHE 141 Ca -0.11 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 1u8s s PHE 141 Cb -0.16 -2.89 -0.04 0.00 -0.34 0.00 0.00 43.02 39.59 1u8s s PHE 141 CO 0.02 -0.51 0.05 -1.01 -1.46 0.00 0.00 175.22 172.31 1u8s s HIS 142 N 2.35 3.20 -0.12 10.12 3.76 0.37 -2.20 115.29 132.77 1u8s s HIS 142 Ca 0.18 0.15 0.01 0.00 -0.15 0.00 0.00 55.06 55.25 1u8s s HIS 142 Cb -0.16 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.85 1u8s s HIS 142 CO 0.13 0.52 -0.13 0.42 -0.85 0.00 0.00 174.74 174.82 1u8s s ILE 143 N -1.16 1.42 -0.15 0.60 1.01 -0.13 -1.65 121.20 121.15 1u8s s ILE 143 Ca 0.22 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1u8s s ILE 143 Cb -0.12 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.02 1u8s s ILE 143 CO 0.13 0.43 -0.18 0.00 0.00 0.00 0.00 174.94 175.32 1u8s s ALA 144 N 1.29 2.40 -0.02 9.38 0.00 0.33 -1.13 121.76 134.01 1u8s s ALA 144 Ca -0.00 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1u8s s ALA 144 Cb -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.86 1u8s s ALA 144 CO -0.06 -0.02 -0.08 0.42 0.00 0.00 0.00 175.76 176.02 1u8s s ILE 145 N 0.80 0.69 -0.27 0.00 1.01 -0.22 -1.77 121.20 121.44 1u8s s ILE 145 Ca -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 1u8s s ILE 145 Cb -0.15 -0.62 0.03 0.00 0.01 0.00 0.00 42.46 41.72 1u8s s ILE 145 CO -0.01 0.22 -0.02 -0.55 0.00 0.00 0.00 174.94 174.58 1u8s s SER 146 N 0.23 4.60 0.29 3.58 0.15 -0.95 0.62 113.70 122.23 1u8s s SER 146 Ca -0.03 -0.99 0.11 0.00 0.70 0.00 0.00 55.95 55.74 1u8s s SER 146 Cb -0.08 -1.70 -0.05 0.00 -1.71 0.00 0.00 66.02 62.47 1u8s s SER 146 CO 0.00 -0.18 -0.16 0.00 1.20 0.00 0.00 173.24 174.10 1u8s s ALA 147 N 1.32 2.75 -0.09 5.45 0.00 -0.28 -0.17 121.76 130.73 1u8s s ALA 147 Ca -0.01 -1.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.02 1u8s s ALA 147 Cb -0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1u8s s ALA 147 CO -0.03 0.20 -0.06 1.03 0.00 0.00 0.00 175.76 176.91 1u8s s ARG 148 N -3.55 3.03 -0.13 0.00 1.81 0.18 -0.44 118.95 119.85 1u8s s ARG 148 Ca 0.30 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.75 1u8s s ARG 148 Cb -0.03 -2.68 0.04 0.00 -0.45 0.00 0.00 34.95 31.83 1u8s s ARG 148 CO 0.15 0.53 -0.02 0.08 -0.68 0.00 0.00 175.30 175.35 1u8s s VAL 149 N -0.44 0.76 0.99 3.52 1.01 -0.68 -3.51 120.40 122.05 1u8s s VAL 149 Ca 0.07 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 1u8s s VAL 149 Cb -0.12 -0.95 0.18 0.00 0.00 0.00 0.00 36.38 35.49 1u8s s VAL 149 CO 0.02 0.16 1.14 1.51 0.00 0.00 0.00 175.10 177.93 1u8s s ASP 150 N 1.80 2.80 0.17 3.32 3.84 -1.26 -1.39 116.67 125.94 1u8s s ASP 150 Ca 0.03 0.91 0.17 0.00 -0.00 0.00 0.00 52.55 53.66 1u8s s ASP 150 Cb -0.14 -1.42 0.78 0.00 -1.38 0.00 0.00 42.92 40.76 1u8s s ASP 150 CO -0.07 -2.99 1.52 -1.54 -0.00 0.00 0.00 175.17 172.09 1u8s n SER 151 N -4.05 0.37 -0.25 2.11 3.41 -1.26 -2.57 113.62 111.40 1u8s n SER 151 Ca 0.08 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.38 1u8s n SER 151 Cb 0.59 -0.69 0.33 0.00 -0.26 0.00 0.00 64.21 64.18 1u8s n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u8s n GLY 152 N -0.59 -0.41 3.74 5.00 0.00 -1.26 -4.84 105.19 106.82 1u8s n GLY 152 Ca 0.01 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 0.20 6.28 0.49 0.00 3.84 -1.26 -4.88 114.94 119.61 1u8s s ASN 154 Ca 0.39 -1.14 0.16 0.00 0.21 0.00 0.00 52.86 52.48 1u8s s ASN 154 Cb -0.20 -2.45 1.19 0.00 -0.55 0.00 0.00 41.25 39.25 1u8s s ASN 154 CO 0.22 -1.44 2.07 -0.07 -2.79 0.00 0.00 177.10 175.09 1u8s h LEU 155 N 11.56 0.14 -0.29 3.21 3.38 -1.96 -1.57 115.31 129.77 1u8s h LEU 155 Ca -0.16 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1u8s h LEU 155 Cb 1.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1u8s h LEU 155 CO 1.21 0.09 -0.05 -0.03 0.09 0.00 0.00 178.44 179.75 1u8s h MET 156 N 0.16 0.55 -0.23 1.13 4.05 -1.99 -0.98 114.93 117.62 1u8s h MET 156 Ca 0.13 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 1u8s h MET 156 Cb 0.32 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1u8s h MET 156 CO -0.02 0.74 0.03 0.37 0.23 0.00 0.00 176.91 178.25 1u8s h GLN 157 N 0.32 0.38 -0.65 0.39 4.15 -1.85 -1.17 115.11 116.68 1u8s h GLN 157 Ca 0.08 -0.11 0.09 0.00 0.77 0.00 0.00 58.65 59.48 1u8s h GLN 157 Cb 0.52 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.10 1u8s h GLN 157 CO 0.03 0.54 0.30 1.25 -1.93 0.00 0.00 178.83 179.01 1u8s h LEU 158 N 0.17 0.36 -0.25 -2.39 5.85 -1.25 0.27 115.31 118.08 1u8s h LEU 158 Ca 0.07 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1u8s h LEU 158 Cb 0.35 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1u8s h LEU 158 CO 0.01 0.22 0.09 -0.61 -0.34 0.00 0.00 178.44 177.80 1u8s h GLN 159 N 0.52 0.38 0.12 1.25 5.75 -1.00 -1.09 115.11 121.04 1u8s h GLN 159 Ca 0.32 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1u8s h GLN 159 Cb 0.34 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1u8s h GLN 159 CO -0.27 0.44 -0.06 0.93 -2.65 0.00 0.00 178.83 177.22 1u8s h GLU 160 N 0.24 -0.15 -0.61 1.69 5.08 -0.41 -0.31 114.58 120.11 1u8s h GLU 160 Ca 0.08 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1u8s h GLU 160 Cb 0.21 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1u8s h GLU 160 CO -0.00 -0.04 0.24 0.93 -1.00 0.00 0.00 179.01 179.14 1u8s h GLU 161 N -0.23 0.88 -0.61 2.33 5.08 -0.47 -0.09 114.58 121.46 1u8s h GLU 161 Ca -0.02 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1u8s h GLU 161 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1u8s h GLU 161 CO 0.03 0.72 0.06 0.35 -1.00 0.00 0.00 179.01 179.17 1u8s h PHE 162 N 0.87 1.12 -0.16 4.33 3.57 -1.01 -0.35 116.94 125.30 1u8s h PHE 162 Ca 0.21 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1u8s h PHE 162 Cb 0.17 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1u8s h PHE 162 CO 0.01 0.97 -0.27 -0.44 -2.23 0.00 0.00 178.31 176.35 1u8s h ASP 163 N 0.95 0.30 0.56 0.41 3.32 -0.36 -1.83 116.42 119.77 1u8s h ASP 163 Ca 0.18 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1u8s h ASP 163 Cb 0.49 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1u8s h ASP 163 CO 0.02 0.57 -0.57 0.00 -1.72 0.00 0.00 179.24 177.54 1u8s h ALA 164 N 1.45 1.05 0.48 3.45 0.00 -0.51 -1.09 119.26 124.10 1u8s h ALA 164 Ca 0.04 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1u8s h ALA 164 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1u8s h ALA 164 CO 0.04 0.71 -0.23 1.25 0.00 0.00 0.00 179.25 181.03 1u8s h LEU 165 N 0.00 -0.54 -1.01 0.00 5.85 -0.40 -0.59 115.31 118.62 1u8s h LEU 165 Ca -0.01 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.73 1u8s h LEU 165 Cb 1.01 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1u8s h LEU 165 CO 0.07 -0.21 0.64 0.00 -0.34 0.00 0.00 178.44 178.61 1u8s h THR 167 N 1.07 1.26 -0.24 0.00 2.02 -1.12 0.67 112.91 116.57 1u8s h THR 167 Ca 0.47 -1.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1u8s h THR 167 Cb 0.36 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1u8s h THR 167 CO -0.23 0.37 -0.25 0.00 0.37 0.00 0.00 175.52 175.78 1u8s h ALA 168 N 0.96 1.13 0.00 6.16 0.00 0.15 -2.57 119.26 125.10 1u8s h ALA 168 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1u8s h ALA 168 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1u8s h ALA 168 CO 0.02 0.55 -0.56 1.28 0.00 0.00 0.00 179.25 180.53 1u8s n LEU 169 N -4.13 0.55 -3.50 0.00 4.77 -0.36 -4.97 117.00 109.36 1u8s n LEU 169 Ca -0.00 -0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 1u8s n LEU 169 Cb 0.40 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1u8s n LEU 169 CO 0.42 0.13 -0.01 -0.67 -1.33 0.00 0.00 177.39 175.93 1u8s n ASP 170 N -1.53 -4.05 -4.42 -1.43 2.03 0.22 -5.02 116.55 102.36 1u8s n ASP 170 Ca 0.05 -0.80 -0.20 0.00 0.52 0.00 0.00 54.79 54.36 1u8s n ASP 170 Cb 0.34 -4.47 -0.10 0.00 -0.72 0.00 0.00 41.12 36.17 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 -3.48 1.14 -0.29 5.18 -7.23 -0.42 -4.94 120.40 110.35 1u8s s VAL 171 Ca 0.26 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 1u8s s VAL 171 Cb -0.06 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1u8s s VAL 171 CO 0.79 -0.07 0.13 -1.58 -0.31 0.00 0.00 175.10 174.06 1u8s s GLN 172 N -3.89 3.50 0.19 4.82 0.74 -0.81 -4.54 119.66 119.67 1u8s s GLN 172 Ca 0.35 -0.60 0.08 0.00 0.05 0.00 0.00 55.36 55.24 1u8s s GLN 172 Cb 0.08 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1u8s s GLN 172 CO 0.14 -0.32 -0.15 0.20 -0.55 0.00 0.00 175.29 174.61 1u8s s GLY 173 N 1.63 1.37 0.11 2.59 0.00 -1.26 -0.94 107.32 110.83 1u8s s GLY 173 Ca 0.05 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.07 1u8s s GLY 173 CO 0.06 -1.68 0.28 -1.35 0.00 0.00 0.00 173.10 170.41 1u8s s SER 174 N -3.13 -0.01 -0.03 1.64 1.04 -0.53 -4.98 113.70 107.70 1u8s s SER 174 Ca 0.20 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1u8s s SER 174 Cb -0.02 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1u8s s SER 174 CO 0.06 -0.80 -0.03 -0.76 0.98 0.00 0.00 173.24 172.69 1u8s s LEU 175 N -2.86 1.49 -0.24 2.42 1.43 -1.26 -2.30 118.68 117.37 1u8s s LEU 175 Ca 0.06 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1u8s s LEU 175 Cb 0.03 -0.30 0.05 0.00 0.03 0.00 0.00 46.19 46.01 1u8s s LEU 175 CO -0.09 -0.03 -0.09 0.21 0.23 0.00 0.00 176.35 176.57 1u8s s ASN 176 N 0.62 3.96 -0.40 2.29 2.47 0.37 -4.94 114.94 119.32 1u8s s ASN 176 Ca -0.07 -1.18 -0.27 0.00 0.42 0.00 0.00 52.86 51.75 1u8s s ASN 176 Cb -0.10 -1.35 0.02 0.00 -1.45 0.00 0.00 41.25 38.37 1u8s s ASN 176 CO -0.01 -0.19 1.02 -0.36 -3.72 0.00 0.00 177.10 173.85 1u8s s PHE 177 N 1.28 3.00 -0.14 0.43 0.08 -1.26 -1.29 117.98 120.06 1u8s s PHE 177 Ca -0.06 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.80 1u8s s PHE 177 Cb -0.19 -3.93 -0.01 0.00 -0.57 0.00 0.00 43.02 38.32 1u8s s PHE 177 CO -0.06 -0.98 -0.15 0.42 -0.10 0.00 0.00 175.22 174.34 1u8s s ILE 178 N 3.84 2.73 0.20 0.64 1.01 0.47 -4.96 121.20 125.14 1u8s s ILE 178 Ca 0.43 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 1u8s s ILE 178 Cb -0.10 -2.14 -0.08 0.00 0.01 0.00 0.00 42.46 40.14 1u8s s ILE 178 CO 0.23 0.52 0.90 -0.75 0.00 0.00 0.00 174.94 175.84 1u8s s LYS 179 N 0.65 4.77 0.00 2.79 2.47 -1.26 0.42 119.74 129.58 1u8s s LYS 179 Ca -0.08 1.40 0.25 0.00 -1.56 0.00 0.00 55.97 55.97 1u8s s LYS 179 Cb -0.16 -3.29 0.30 0.00 -1.46 0.00 0.00 37.83 33.23 1u8s s LYS 179 CO 0.02 0.49 1.32 0.09 0.16 0.00 0.00 175.35 177.44