#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8d s PHE 2 N 0.00 1.39 -0.05 1.12 0.40 0.21 -1.28 117.98 119.77 1i8d s PHE 2 Ca 0.00 -1.15 0.18 0.00 -0.60 0.00 0.00 56.93 55.36 1i8d s PHE 2 Cb 0.00 -0.79 -0.27 0.00 0.51 0.00 0.00 43.02 42.46 1i8d s PHE 2 CO 0.00 -0.33 0.34 0.25 0.70 0.00 0.00 175.22 176.18 1i8d n THR 3 N -0.37 0.21 -0.58 0.64 -2.24 -1.26 0.54 114.28 111.22 1i8d n THR 3 Ca -0.02 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1i8d n THR 3 Cb 0.65 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1i8d n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i8d n GLY 4 N 1.55 0.72 3.30 3.38 0.00 -1.26 -4.43 105.19 108.44 1i8d n GLY 4 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1i8d n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i8d s ILE 5 N -2.07 4.63 0.24 -0.61 1.01 -1.26 -1.60 121.20 121.55 1i8d s ILE 5 Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 60.65 58.96 1i8d s ILE 5 Cb 0.00 -3.86 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 1i8d s ILE 5 CO 0.00 -0.62 1.62 0.52 0.00 0.00 0.00 174.94 176.46 1i8d n VAL 6 N 5.04 0.56 1.04 2.92 0.31 -1.26 -4.90 118.33 122.04 1i8d n VAL 6 Ca -0.11 -0.14 0.11 0.00 -0.01 0.00 0.00 64.34 64.19 1i8d n VAL 6 Cb 0.42 -1.87 0.06 0.00 -0.91 0.00 0.00 33.84 31.54 1i8d n VAL 6 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i8d n GLN 7 N 2.88 0.72 0.00 5.55 6.02 -0.88 -5.04 117.38 126.63 1i8d n GLN 7 Ca 0.12 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 1i8d n GLN 7 Cb 0.35 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1i8d n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i8d n GLY 8 N 1.43 -0.40 3.22 1.08 0.00 -1.10 -5.01 105.19 104.42 1i8d n GLY 8 Ca 0.08 -1.16 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 1i8d n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i8d s THR 9 N -2.00 1.51 0.04 2.61 -4.23 -1.26 -0.80 115.64 111.52 1i8d s THR 9 Ca 0.00 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 1i8d s THR 9 Cb 0.00 -1.33 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 1i8d s THR 9 CO 0.00 0.11 -0.09 0.00 -0.54 0.00 0.00 174.62 174.10 1i8d s ALA 10 N -0.87 0.71 -0.10 3.99 0.00 0.17 -4.70 121.76 120.97 1i8d s ALA 10 Ca 0.06 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 1i8d s ALA 10 Cb -0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1i8d s ALA 10 CO 0.02 0.04 0.36 0.21 0.00 0.00 0.00 175.76 176.38 1i8d s LYS 11 N -1.50 4.12 -0.30 0.00 2.20 -1.24 0.10 119.74 123.11 1i8d s LYS 11 Ca -0.07 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.50 1i8d s LYS 11 Cb -0.09 -3.35 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 1i8d s LYS 11 CO 0.01 0.39 1.21 -1.17 -0.36 0.00 0.00 175.35 175.43 1i8d s LEU 12 N -0.05 3.92 -0.00 5.43 2.96 0.15 -1.19 118.68 129.90 1i8d s LEU 12 Ca 0.21 1.18 0.14 0.00 -0.22 0.00 0.00 54.13 55.44 1i8d s LEU 12 Cb -0.14 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.84 1i8d s LEU 12 CO 0.08 -0.98 0.55 1.33 -1.32 0.00 0.00 176.35 176.01 1i8d n VAL 13 N 6.02 0.00 -3.66 1.68 0.24 0.11 -0.28 118.33 122.44 1i8d n VAL 13 Ca 0.14 -0.20 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 1i8d n VAL 13 Cb 0.47 0.87 -0.08 0.00 -1.47 0.00 0.00 33.84 33.63 1i8d n VAL 13 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1i8d s SER 14 N -2.53 -0.52 -0.04 -1.34 0.15 -1.08 -4.90 113.70 103.44 1i8d s SER 14 Ca 0.04 0.83 -0.00 0.00 0.70 0.00 0.00 55.95 57.51 1i8d s SER 14 Cb 0.10 0.84 0.03 0.00 -1.71 0.00 0.00 66.02 65.28 1i8d s SER 14 CO 0.58 -0.33 0.00 -0.63 1.20 0.00 0.00 173.24 174.06 1i8d s ILE 15 N -0.34 0.23 -0.37 6.45 1.01 -1.26 -1.68 121.20 125.25 1i8d s ILE 15 Ca -0.05 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.70 1i8d s ILE 15 Cb -0.03 -0.34 0.10 0.00 0.01 0.00 0.00 42.46 42.19 1i8d s ILE 15 CO 0.03 0.18 0.12 -0.62 0.00 0.00 0.00 174.94 174.65 1i8d s ASP 16 N 1.31 5.03 -0.21 3.58 2.15 -0.84 -4.98 116.67 122.71 1i8d s ASP 16 Ca -0.06 -1.94 -0.15 0.00 0.43 0.00 0.00 52.55 50.83 1i8d s ASP 16 Cb -0.13 -1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 40.70 1i8d s ASP 16 CO -0.02 -0.44 0.37 -1.61 -0.17 0.00 0.00 175.17 173.29 1i8d s GLU 17 N 1.08 4.16 0.30 4.34 2.02 -1.26 -1.85 118.70 127.48 1i8d s GLU 17 Ca 0.07 0.13 0.07 0.00 0.02 0.00 0.00 54.97 55.26 1i8d s GLU 17 Cb -0.21 -3.54 -0.06 0.00 0.10 0.00 0.00 34.13 30.42 1i8d s GLU 17 CO -0.05 -0.03 -0.06 0.15 0.02 0.00 0.00 175.26 175.29 1i8d s LYS 18 N 1.30 1.62 0.12 1.61 1.02 -0.27 -5.05 119.74 120.09 1i8d s LYS 18 Ca 0.17 -1.83 -0.31 0.00 0.02 0.00 0.00 55.97 54.03 1i8d s LYS 18 Cb -0.15 -1.27 -0.10 0.00 -0.52 0.00 0.00 37.83 35.80 1i8d s LYS 18 CO 0.07 0.05 1.75 -2.14 -0.92 0.00 0.00 175.35 174.17 1i8d s PRO 19 N -3.71 4.16 -1.38 -1.68 0.02 -1.26 -2.16 135.00 128.98 1i8d s PRO 19 Ca 0.30 2.50 -0.08 0.00 0.02 0.00 0.00 61.00 63.75 1i8d s PRO 19 Cb 0.04 -3.52 0.05 0.00 0.02 0.00 0.00 34.50 31.08 1i8d s PRO 19 CO 0.13 -0.79 0.54 0.09 -0.33 0.00 0.00 177.00 176.64 1i8d n ASN 20 N 5.39 -4.63 -3.64 2.53 3.02 -1.26 -4.95 115.26 111.72 1i8d n ASN 20 Ca 0.17 -0.35 -0.08 0.00 -0.03 0.00 0.00 54.58 54.29 1i8d n ASN 20 Cb 0.39 -3.79 -0.07 0.00 -0.61 0.00 0.00 39.78 35.70 1i8d n ASN 20 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1i8d s PHE 21 N -3.02 -0.54 0.14 3.10 2.19 -0.92 -2.47 117.98 116.46 1i8d s PHE 21 Ca 0.36 1.24 0.07 0.00 0.33 0.00 0.00 56.93 58.93 1i8d s PHE 21 Cb -0.18 0.37 -0.04 0.00 -1.31 0.00 0.00 43.02 41.86 1i8d s PHE 21 CO 0.45 -0.26 -0.15 1.03 1.83 0.00 0.00 175.22 178.12 1i8d s ARG 22 N 0.55 1.12 -0.23 10.12 0.52 -0.39 -1.12 118.95 129.51 1i8d s ARG 22 Ca -0.00 -1.33 0.01 0.00 -0.52 0.00 0.00 55.73 53.89 1i8d s ARG 22 Cb -0.05 -1.00 0.06 0.00 0.52 0.00 0.00 34.95 34.48 1i8d s ARG 22 CO -0.08 0.19 -0.08 0.99 0.02 0.00 0.00 175.30 176.33 1i8d s THR 23 N -2.30 1.72 -0.03 0.02 2.01 -0.77 -0.20 115.64 116.10 1i8d s THR 23 Ca 0.12 -1.28 -0.14 0.00 0.31 0.00 0.00 61.69 60.70 1i8d s THR 23 Cb -0.04 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1i8d s THR 23 CO 0.04 -0.02 0.37 -1.00 -0.69 0.00 0.00 174.62 173.32 1i8d s HIS 24 N 1.32 3.68 -0.24 4.92 3.76 -0.09 -1.98 115.29 126.65 1i8d s HIS 24 Ca -0.06 0.91 -0.03 0.00 -0.15 0.00 0.00 55.06 55.73 1i8d s HIS 24 Cb -0.19 -2.27 0.01 0.00 1.11 0.00 0.00 32.58 31.25 1i8d s HIS 24 CO -0.06 0.60 -0.04 0.08 -0.85 0.00 0.00 174.74 174.46 1i8d s VAL 25 N -0.86 3.12 0.13 -0.90 1.01 -0.67 -1.50 120.40 120.73 1i8d s VAL 25 Ca 0.22 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1i8d s VAL 25 Cb -0.16 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1i8d s VAL 25 CO 0.11 0.26 -0.11 0.68 0.00 0.00 0.00 175.10 176.05 1i8d s VAL 26 N 1.39 3.25 -0.48 2.92 -7.23 -0.42 0.09 120.40 119.92 1i8d s VAL 26 Ca 0.02 -1.43 -0.16 0.00 -1.81 0.00 0.00 61.98 58.60 1i8d s VAL 26 Cb -0.16 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.30 1i8d s VAL 26 CO -0.04 0.03 0.43 -0.70 -0.31 0.00 0.00 175.10 174.52 1i8d s GLU 27 N -2.42 3.00 0.21 4.82 2.12 -0.33 0.66 118.70 126.77 1i8d s GLU 27 Ca 0.22 -1.25 -0.23 0.00 0.36 0.00 0.00 54.97 54.07 1i8d s GLU 27 Cb -0.10 -4.12 -0.08 0.00 0.26 0.00 0.00 34.13 30.08 1i8d s GLU 27 CO 0.14 -1.05 0.78 -0.51 -0.54 0.00 0.00 175.26 174.08 1i8d s LEU 28 N 1.82 4.45 0.27 2.70 1.43 0.99 -3.71 118.68 126.63 1i8d s LEU 28 Ca 0.06 1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 54.43 1i8d s LEU 28 Cb -0.23 -3.53 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 1i8d s LEU 28 CO 0.08 0.09 1.48 -2.65 0.23 0.00 0.00 176.35 175.58 1i8d n PRO 29 N 1.06 2.33 -0.21 1.29 -0.02 -1.26 -4.80 135.00 133.39 1i8d n PRO 29 Ca -0.03 0.83 0.24 0.00 -2.02 0.00 0.00 63.50 62.51 1i8d n PRO 29 Cb 0.50 -2.53 0.61 0.00 -0.02 0.00 0.00 33.50 32.06 1i8d n PRO 29 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1i8d h ASP 30 N 4.33 0.21 0.29 2.55 3.32 -1.97 0.67 116.42 125.82 1i8d h ASP 30 Ca -0.46 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1i8d h ASP 30 Cb 1.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1i8d h ASP 30 CO 0.76 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 178.36 1i8d n HIS 31 N -4.40 0.00 0.67 4.55 1.44 -1.26 -2.19 115.22 114.03 1i8d n HIS 31 Ca 0.19 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.97 1i8d n HIS 31 Cb 0.83 -0.22 -0.01 0.00 0.12 0.00 0.00 29.99 30.71 1i8d n HIS 31 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1i8d n MET 32 N -1.22 1.78 0.13 -1.40 2.81 0.23 -4.31 117.12 115.15 1i8d n MET 32 Ca 0.11 -0.70 0.12 0.00 -1.81 0.00 0.00 57.70 55.42 1i8d n MET 32 Cb 0.14 -1.24 0.22 0.00 -0.71 0.00 0.00 33.22 31.63 1i8d n MET 32 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1i8d h LEU 33 N 1.52 0.00 -8.88 4.03 3.38 -1.46 -3.42 115.31 110.49 1i8d h LEU 33 Ca 0.00 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.35 1i8d h LEU 33 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1i8d h LEU 33 CO 0.00 0.02 1.37 -0.62 0.09 0.00 0.00 178.44 179.31 1i8d s ASP 34 N -5.14 5.64 0.00 -0.43 -1.08 -1.25 -1.69 116.67 112.71 1i8d s ASP 34 Ca 0.07 1.46 0.00 0.00 -0.52 0.00 0.00 52.55 53.56 1i8d s ASP 34 Cb 0.10 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1i8d s ASP 34 CO 0.67 -1.89 0.00 0.61 0.52 0.00 0.00 175.17 175.09 1i8d n GLY 35 N 5.59 0.81 3.76 2.66 0.00 -1.26 -5.02 105.19 111.72 1i8d n GLY 35 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1i8d n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i8d s LEU 36 N 0.00 4.47 0.05 0.99 0.20 -0.68 -5.03 118.68 118.68 1i8d s LEU 36 Ca 0.00 2.48 -0.00 0.00 0.69 0.00 0.00 54.13 57.30 1i8d s LEU 36 Cb 0.00 -3.63 -0.04 0.00 -0.43 0.00 0.00 46.19 42.09 1i8d s LEU 36 CO 0.00 -0.38 -0.04 -1.61 -0.29 0.00 0.00 176.35 174.04 1i8d s GLU 37 N -1.42 0.59 0.43 1.98 0.41 -1.26 -5.08 118.70 114.35 1i8d s GLU 37 Ca 0.48 -1.13 -0.26 0.00 -0.41 0.00 0.00 54.97 53.65 1i8d s GLU 37 Cb -0.36 0.13 -0.09 0.00 -1.78 0.00 0.00 34.13 32.03 1i8d s GLU 37 CO 0.46 -0.09 1.41 0.95 -0.49 0.00 0.00 175.26 177.51 1i8d s THR 38 N -3.44 2.19 0.00 3.63 -4.23 -1.26 -2.05 115.64 110.48 1i8d s THR 38 Ca 0.04 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1i8d s THR 38 Cb 0.04 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1i8d s THR 38 CO -0.08 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1i8d n GLY 39 N 0.58 3.43 3.80 3.99 0.00 0.14 -4.97 105.19 112.16 1i8d n GLY 39 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1i8d n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8d s ALA 40 N -2.75 2.52 -0.07 4.61 0.00 -0.87 -4.65 121.76 120.56 1i8d s ALA 40 Ca 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 1i8d s ALA 40 Cb 0.00 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1i8d s ALA 40 CO 0.00 -1.39 0.29 -1.12 0.00 0.00 0.00 175.76 173.53 1i8d s SER 41 N -3.52 6.59 -0.02 0.00 0.01 -1.26 -1.05 113.70 114.45 1i8d s SER 41 Ca 0.60 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1i8d s SER 41 Cb -0.16 -2.17 0.02 0.00 0.21 0.00 0.00 66.02 63.92 1i8d s SER 41 CO 0.53 0.33 0.00 -0.69 0.41 0.00 0.00 173.24 173.83 1i8d s VAL 42 N -0.84 0.08 -0.16 3.43 1.01 0.77 -3.09 120.40 121.59 1i8d s VAL 42 Ca 0.19 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 1i8d s VAL 42 Cb -0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1i8d s VAL 42 CO 0.08 0.08 0.26 0.00 0.00 0.00 0.00 175.10 175.53 1i8d s ALA 43 N 0.63 3.61 -0.34 5.51 0.00 -0.47 -0.58 121.76 130.14 1i8d s ALA 43 Ca -0.06 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 1i8d s ALA 43 Cb -0.08 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1i8d s ALA 43 CO -0.01 0.12 0.17 -1.01 0.00 0.00 0.00 175.76 175.03 1i8d s HIS 44 N 0.40 3.21 -1.53 0.00 3.76 -0.11 -2.12 115.29 118.90 1i8d s HIS 44 Ca 0.15 -0.79 -0.10 0.00 -0.15 0.00 0.00 55.06 54.17 1i8d s HIS 44 Cb -0.13 -2.39 0.08 0.00 1.11 0.00 0.00 32.58 31.25 1i8d s HIS 44 CO 0.03 -0.56 0.73 0.09 -0.85 0.00 0.00 174.74 174.18 1i8d n ASN 45 N 4.98 -2.65 0.00 1.40 4.13 0.76 -0.75 115.26 123.14 1i8d n ASN 45 Ca -0.13 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.21 1i8d n ASN 45 Cb 0.47 -3.30 0.00 0.00 -1.54 0.00 0.00 39.78 35.42 1i8d n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i8d n GLY 46 N -1.67 1.53 3.52 7.41 0.00 -1.19 -3.91 105.19 110.89 1i8d n GLY 46 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1i8d n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8d s LEU 49 N 3.55 2.49 -0.16 0.00 1.43 0.26 -4.95 118.68 121.31 1i8d s LEU 49 Ca 0.81 -0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1i8d s LEU 49 Cb -0.41 -0.66 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 1i8d s LEU 49 CO 0.36 -0.14 -0.09 -0.89 0.23 0.00 0.00 176.35 175.82 1i8d s THR 50 N -2.60 3.29 0.15 5.49 2.01 -1.26 -0.16 115.64 122.56 1i8d s THR 50 Ca 0.18 -0.56 -0.31 0.00 0.31 0.00 0.00 61.69 61.30 1i8d s THR 50 Cb -0.03 -2.42 -0.11 0.00 0.01 0.00 0.00 72.50 69.95 1i8d s THR 50 CO 0.05 0.49 1.81 -0.69 -0.69 0.00 0.00 174.62 175.59 1i8d s VAL 51 N 0.67 2.35 -0.09 3.82 1.01 -0.22 -4.21 120.40 123.72 1i8d s VAL 51 Ca -0.05 0.02 0.13 0.00 0.00 0.00 0.00 61.98 62.08 1i8d s VAL 51 Cb -0.15 -3.01 -0.19 0.00 0.00 0.00 0.00 36.38 33.03 1i8d s VAL 51 CO 0.02 0.00 0.15 0.35 0.00 0.00 0.00 175.10 175.62 1i8d n THR 52 N 4.51 0.60 -3.58 3.92 -2.24 0.17 -0.69 114.28 116.98 1i8d n THR 52 Ca 0.17 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 1i8d n THR 52 Cb 0.37 -0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 68.19 1i8d n THR 52 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1i8d s GLU 53 N -2.59 0.95 -0.14 -0.78 2.12 -1.19 -4.91 118.70 112.16 1i8d s GLU 53 Ca -0.06 0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.53 1i8d s GLU 53 Cb 0.06 0.45 0.03 0.00 0.26 0.00 0.00 34.13 34.93 1i8d s GLU 53 CO 0.58 -0.27 -0.10 0.42 -0.54 0.00 0.00 175.26 175.34 1i8d s ILE 54 N -1.02 1.34 -0.34 -3.70 1.01 -1.26 -0.38 121.20 116.86 1i8d s ILE 54 Ca -0.10 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1i8d s ILE 54 Cb -0.01 -1.34 0.10 0.00 0.01 0.00 0.00 42.46 41.22 1i8d s ILE 54 CO 0.08 0.36 0.10 0.21 0.00 0.00 0.00 174.94 175.69 1i8d s ASN 55 N 1.57 4.18 1.87 3.58 2.47 0.40 -4.99 114.94 124.02 1i8d s ASN 55 Ca 0.04 -1.90 0.00 0.00 0.42 0.00 0.00 52.86 51.42 1i8d s ASN 55 Cb -0.13 -1.09 0.00 0.00 -1.45 0.00 0.00 41.25 38.58 1i8d s ASN 55 CO -0.09 -0.39 0.00 0.61 -3.72 0.00 0.00 177.10 173.51 1i8d n GLY 56 N 4.53 3.74 1.40 1.21 0.00 -1.26 0.84 105.19 115.64 1i8d n GLY 56 Ca 0.01 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1i8d n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i8d n ASN 57 N 7.42 4.09 -4.54 1.61 2.04 -1.26 -4.84 115.26 119.78 1i8d n ASN 57 Ca 0.00 -2.13 -0.42 0.00 -0.44 0.00 0.00 54.58 51.59 1i8d n ASN 57 Cb 0.00 -0.51 -0.08 0.00 -2.53 0.00 0.00 39.78 36.66 1i8d n ASN 57 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 1i8d s HIS 58 N -1.29 3.18 -0.11 -2.53 3.76 0.25 -0.00 115.29 118.54 1i8d s HIS 58 Ca 0.49 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 55.41 1i8d s HIS 58 Cb 0.27 -2.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 1i8d s HIS 58 CO 0.30 -0.55 -0.19 0.08 -0.85 0.00 0.00 174.74 173.53 1i8d s VAL 59 N 2.24 2.51 0.06 -0.90 1.01 0.21 -0.45 120.40 125.08 1i8d s VAL 59 Ca 0.15 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1i8d s VAL 59 Cb -0.16 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 1i8d s VAL 59 CO 0.13 0.55 0.35 -0.44 0.00 0.00 0.00 175.10 175.68 1i8d s SER 60 N 0.30 6.57 -0.06 3.32 0.01 0.49 -1.31 113.70 123.03 1i8d s SER 60 Ca -0.14 0.68 -0.05 0.00 1.31 0.00 0.00 55.95 57.75 1i8d s SER 60 Cb -0.17 -2.13 0.02 0.00 0.21 0.00 0.00 66.02 63.95 1i8d s SER 60 CO 0.07 0.19 0.15 -0.36 0.41 0.00 0.00 173.24 173.70 1i8d s PHE 61 N -1.39 -0.17 0.07 2.43 0.40 -0.56 0.45 117.98 119.20 1i8d s PHE 61 Ca 0.32 0.44 -0.07 0.00 -0.60 0.00 0.00 56.93 57.02 1i8d s PHE 61 Cb -0.13 0.03 -0.05 0.00 0.51 0.00 0.00 43.02 43.38 1i8d s PHE 61 CO 0.18 -0.10 0.33 -0.51 0.70 0.00 0.00 175.22 175.82 1i8d s ASP 62 N 0.32 6.53 -0.18 1.36 -0.00 -1.26 -0.91 116.67 122.53 1i8d s ASP 62 Ca -0.02 0.62 0.01 0.00 -0.00 0.00 0.00 52.55 53.16 1i8d s ASP 62 Cb -0.03 -2.11 0.03 0.00 -0.00 0.00 0.00 42.92 40.81 1i8d s ASP 62 CO -0.01 0.17 -0.15 -0.76 -0.00 0.00 0.00 175.17 174.42 1i8d s LEU 63 N -2.08 2.10 0.00 1.23 1.02 0.73 -4.70 118.68 116.98 1i8d s LEU 63 Ca 0.33 -0.69 0.05 0.00 0.02 0.00 0.00 54.13 53.83 1i8d s LEU 63 Cb -0.13 -1.32 0.11 0.00 0.02 0.00 0.00 46.19 44.87 1i8d s LEU 63 CO 0.20 -0.06 0.84 1.15 0.02 0.00 0.00 176.35 178.49 1i8d n MET 64 N 4.67 0.30 -0.09 1.70 0.00 -1.26 -1.26 117.12 121.18 1i8d n MET 64 Ca -0.18 -2.75 -0.08 0.00 0.00 0.00 0.00 57.70 54.69 1i8d n MET 64 Cb 0.49 -0.42 -0.02 0.00 0.00 0.00 0.00 33.22 33.28 1i8d n MET 64 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1i8d h LYS 65 N 0.00 -0.25 -0.79 3.17 3.64 -1.89 -1.31 116.57 119.14 1i8d h LYS 65 Ca -0.28 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1i8d h LYS 65 Cb 1.16 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 1i8d h LYS 65 CO 0.35 -0.17 0.52 1.49 -2.27 0.00 0.00 179.45 179.37 1i8d h GLU 66 N -0.26 1.05 0.04 1.90 4.57 -1.96 -0.30 114.58 119.62 1i8d h GLU 66 Ca 0.16 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1i8d h GLU 66 Cb 0.52 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1i8d h GLU 66 CO -0.48 0.70 -0.02 1.15 -1.18 0.00 0.00 179.01 179.18 1i8d h THR 67 N 1.08 0.96 -0.63 0.32 2.02 -1.77 0.13 112.91 115.02 1i8d h THR 67 Ca 0.29 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 1i8d h THR 67 Cb -0.11 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1i8d h THR 67 CO -0.06 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.14 1i8d h LEU 68 N -0.06 0.74 -0.43 2.58 3.38 -0.99 -1.23 115.31 119.31 1i8d h LEU 68 Ca -0.01 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1i8d h LEU 68 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1i8d h LEU 68 CO 0.01 0.57 -0.30 -0.09 0.09 0.00 0.00 178.44 178.72 1i8d h ARG 69 N 0.86 0.96 0.00 1.13 2.43 -0.20 -3.37 114.38 116.19 1i8d h ARG 69 Ca 0.23 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1i8d h ARG 69 Cb -0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1i8d h ARG 69 CO -0.04 1.12 -1.80 1.51 -1.51 0.00 0.00 179.97 179.25 1i8d n ILE 70 N -4.10 0.00 -3.85 1.20 3.06 0.38 -5.01 119.36 111.04 1i8d n ILE 70 Ca -0.01 -0.41 -0.23 0.00 -2.50 0.00 0.00 62.75 59.59 1i8d n ILE 70 Cb 0.50 0.15 -0.04 0.00 0.54 0.00 0.00 39.64 40.79 1i8d n ILE 70 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1i8d s THR 71 N -3.33 2.33 -1.77 9.51 -4.23 -0.50 -4.41 115.64 113.25 1i8d s THR 71 Ca -0.06 -1.51 0.10 0.00 -1.18 0.00 0.00 61.69 59.04 1i8d s THR 71 Cb 0.13 -2.84 0.32 0.00 1.34 0.00 0.00 72.50 71.45 1i8d s THR 71 CO 0.83 0.00 1.23 -0.46 -0.54 0.00 0.00 174.62 175.67 1i8d n ASN 72 N -1.47 2.09 0.12 3.99 0.23 -1.26 -4.30 115.26 114.67 1i8d n ASN 72 Ca 0.01 -2.07 -0.02 0.00 -0.53 0.00 0.00 54.58 51.96 1i8d n ASN 72 Cb 0.63 -0.29 0.20 0.00 -2.08 0.00 0.00 39.78 38.25 1i8d n ASN 72 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1i8d h LEU 73 N 2.00 0.14 -2.23 -4.53 3.38 -1.90 -2.19 115.31 109.98 1i8d h LEU 73 Ca 0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i8d h LEU 73 Cb 0.59 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1i8d h LEU 73 CO 0.04 0.63 -0.02 1.23 0.09 0.00 0.00 178.44 180.41 1i8d h GLY 74 N 1.46 0.00 2.00 0.83 0.00 -1.85 -1.97 103.07 103.54 1i8d h GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1i8d h GLY 74 CO 0.07 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.83 1i8d n ASP 75 N -3.18 0.17 -4.77 0.19 8.00 -0.82 -4.89 116.55 111.26 1i8d n ASP 75 Ca -0.01 0.52 -0.39 0.00 0.71 0.00 0.00 54.79 55.61 1i8d n ASP 75 Cb 0.19 -0.56 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 1i8d n ASP 75 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i8d s LEU 76 N -3.33 4.28 0.11 0.64 1.43 -0.74 -5.03 118.68 116.03 1i8d s LEU 76 Ca 0.13 2.57 0.09 0.00 -1.03 0.00 0.00 54.13 55.89 1i8d s LEU 76 Cb 0.17 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1i8d s LEU 76 CO 0.52 -0.70 -0.22 -0.54 0.23 0.00 0.00 176.35 175.64 1i8d s LYS 77 N -2.11 1.68 0.40 1.70 1.02 -1.26 -5.06 119.74 116.12 1i8d s LYS 77 Ca 0.54 -1.21 -0.24 0.00 0.02 0.00 0.00 55.97 55.08 1i8d s LYS 77 Cb -0.36 -2.03 -0.12 0.00 -0.52 0.00 0.00 37.83 34.79 1i8d s LYS 77 CO 0.47 0.48 0.72 0.28 -0.92 0.00 0.00 175.35 176.38 1i8d n VAL 78 N 1.01 2.02 -0.90 3.17 0.31 -1.26 -0.74 118.33 121.93 1i8d n VAL 78 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1i8d n VAL 78 Cb 0.53 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 1i8d n VAL 78 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i8d n GLY 79 N 1.58 0.92 3.89 2.92 0.00 0.62 -5.00 105.19 110.11 1i8d n GLY 79 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1i8d n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i8d s ASP 80 N -2.91 6.42 -0.11 1.61 -0.00 0.08 -4.78 116.67 116.97 1i8d s ASP 80 Ca 0.00 1.07 -0.03 0.00 -0.00 0.00 0.00 52.55 53.59 1i8d s ASP 80 Cb 0.00 -2.30 -0.03 0.00 -0.00 0.00 0.00 42.92 40.59 1i8d s ASP 80 CO 0.00 -0.48 0.01 0.26 -0.00 0.00 0.00 175.17 174.95 1i8d s TRP 81 N -2.54 3.16 0.06 4.23 0.52 -1.26 0.32 118.94 123.43 1i8d s TRP 81 Ca 0.50 0.11 0.07 0.00 0.02 0.00 0.00 56.10 56.80 1i8d s TRP 81 Cb -0.10 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.33 1i8d s TRP 81 CO 0.37 0.35 -0.21 0.14 0.02 0.00 0.00 176.95 177.63 1i8d s VAL 82 N -0.52 1.67 -0.00 4.03 -7.23 0.11 -4.90 120.40 113.55 1i8d s VAL 82 Ca 0.09 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 1i8d s VAL 82 Cb -0.12 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.30 1i8d s VAL 82 CO 0.02 0.14 1.39 0.20 -0.31 0.00 0.00 175.10 176.53 1i8d s ASN 83 N -1.35 6.86 0.07 4.85 0.01 -1.26 0.45 114.94 124.57 1i8d s ASN 83 Ca 0.07 2.10 0.08 0.00 -0.71 0.00 0.00 52.86 54.40 1i8d s ASN 83 Cb -0.09 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 1i8d s ASN 83 CO 0.02 -0.71 -0.22 0.68 -1.51 0.00 0.00 177.10 175.36 1i8d s VAL 84 N 2.36 1.83 -0.15 1.60 -7.23 0.02 -0.17 120.40 118.66 1i8d s VAL 84 Ca 0.63 -1.40 -0.07 0.00 -1.81 0.00 0.00 61.98 59.34 1i8d s VAL 84 Cb -0.31 -1.61 0.07 0.00 0.56 0.00 0.00 36.38 35.08 1i8d s VAL 84 CO 0.26 0.14 0.34 -0.70 -0.31 0.00 0.00 175.10 174.84 1i8d s GLU 85 N -1.50 0.28 0.87 4.82 2.12 -0.90 -2.07 118.70 122.31 1i8d s GLU 85 Ca 0.09 0.79 -0.12 0.00 0.36 0.00 0.00 54.97 56.09 1i8d s GLU 85 Cb -0.09 0.05 0.11 0.00 0.26 0.00 0.00 34.13 34.45 1i8d s GLU 85 CO 0.03 -0.21 1.12 1.03 -0.54 0.00 0.00 175.26 176.69 1i8d s ARG 86 N 1.94 1.49 0.50 4.30 0.52 -1.26 -1.36 118.95 125.07 1i8d s ARG 86 Ca -0.05 0.41 -0.23 0.00 -0.52 0.00 0.00 55.73 55.35 1i8d s ARG 86 Cb -0.11 -1.87 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 1i8d s ARG 86 CO -0.11 -1.98 1.32 0.00 0.02 0.00 0.00 175.30 174.55 1i8d s ALA 87 N -3.24 2.96 0.86 2.13 0.00 -1.18 -4.85 121.76 118.44 1i8d s ALA 87 Ca 0.63 1.26 -0.11 0.00 0.00 0.00 0.00 51.96 53.74 1i8d s ALA 87 Cb -0.15 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.56 1i8d s ALA 87 CO 0.54 -1.14 1.14 0.00 0.00 0.00 0.00 175.76 176.30 1i8d s ALA 88 N -1.33 1.74 0.25 0.00 0.00 -0.40 -5.01 121.76 117.01 1i8d s ALA 88 Ca 0.67 0.55 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1i8d s ALA 88 Cb -0.38 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1i8d s ALA 88 CO 0.46 -2.42 0.17 0.15 0.00 0.00 0.00 175.76 174.12 1i8d s LYS 89 N -4.63 1.42 -0.47 0.00 1.02 -1.26 -4.94 119.74 110.87 1i8d s LYS 89 Ca 0.66 -1.78 -0.19 0.00 0.02 0.00 0.00 55.97 54.68 1i8d s LYS 89 Cb -0.22 0.21 0.04 0.00 -0.52 0.00 0.00 37.83 37.35 1i8d s LYS 89 CO 0.56 -0.47 0.59 -0.06 -0.92 0.00 0.00 175.35 175.05 1i8d s PHE 90 N -3.87 3.08 0.00 3.18 2.99 -1.26 -5.10 117.98 117.00 1i8d s PHE 90 Ca 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 56.93 56.92 1i8d s PHE 90 Cb 0.05 -3.36 0.00 0.00 0.00 0.00 0.00 43.02 39.71 1i8d s PHE 90 CO 0.17 -0.93 0.00 1.58 -0.00 0.00 0.00 175.22 176.05 1i8d n HIS 97 N 6.07 0.00 -3.74 0.36 -0.00 -1.26 -5.31 115.22 111.35 1i8d n HIS 97 Ca -0.06 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.29 1i8d n HIS 97 Cb 0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.33 1i8d n HIS 97 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1i8d s LEU 98 N 0.00 4.03 -0.01 0.27 2.96 -1.26 -4.44 118.68 120.23 1i8d s LEU 98 Ca 0.00 -0.80 -0.02 0.00 -0.22 0.00 0.00 54.13 53.09 1i8d s LEU 98 Cb 0.00 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1i8d s LEU 98 CO 0.00 -0.23 0.12 -0.04 -1.32 0.00 0.00 176.35 174.88 1i8d s MET 99 N 1.49 3.22 0.02 1.98 -1.94 0.19 -4.83 119.30 119.44 1i8d s MET 99 Ca 0.02 -0.40 0.04 0.00 -1.71 0.00 0.00 55.69 53.64 1i8d s MET 99 Cb -0.18 -2.96 -0.24 0.00 2.01 0.00 0.00 34.83 33.45 1i8d s MET 99 CO 0.03 0.67 0.91 0.66 -0.01 0.00 0.00 175.02 177.28 1i8d h SER 100 N 4.05 0.17 0.00 3.03 4.64 -1.92 0.60 113.55 124.12 1i8d h SER 100 Ca -0.49 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.58 1i8d h SER 100 Cb 1.19 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1i8d h SER 100 CO 0.64 1.20 0.00 0.61 -0.87 0.00 0.00 176.83 178.42 1i8d n GLY 101 N 1.55 0.58 3.23 -0.77 0.00 -1.26 -4.46 105.19 104.07 1i8d n GLY 101 Ca -0.12 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1i8d n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i8d s HIS 102 N -2.00 3.27 0.08 1.61 3.76 -1.26 -0.83 115.29 119.92 1i8d s HIS 102 Ca 0.00 -1.62 -0.30 0.00 -0.15 0.00 0.00 55.06 52.98 1i8d s HIS 102 Cb 0.00 -2.26 -0.06 0.00 1.11 0.00 0.00 32.58 31.38 1i8d s HIS 102 CO 0.00 -0.77 1.12 0.42 -0.85 0.00 0.00 174.74 174.66 1i8d s ILE 103 N 1.34 4.17 -0.23 0.60 -1.09 -1.26 -4.56 121.20 120.17 1i8d s ILE 103 Ca -0.03 1.65 -0.07 0.00 -2.23 0.00 0.00 60.65 59.97 1i8d s ILE 103 Cb -0.20 -4.05 -0.18 0.00 -1.58 0.00 0.00 42.46 36.45 1i8d s ILE 103 CO 0.01 0.18 -0.09 0.80 -1.23 0.00 0.00 174.94 174.60 1i8d n MET 104 N 3.44 0.65 -2.27 2.79 1.56 0.49 -4.98 117.12 118.80 1i8d n MET 104 Ca 0.06 0.25 -0.05 0.00 -0.27 0.00 0.00 57.70 57.70 1i8d n MET 104 Cb 0.47 -1.58 -0.00 0.00 2.15 0.00 0.00 33.22 34.26 1i8d n MET 104 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1i8d n THR 105 N -3.70 0.00 -4.34 1.12 5.66 -1.15 -5.03 114.28 106.84 1i8d n THR 105 Ca -0.44 -0.54 -0.18 0.00 -3.05 0.00 0.00 64.05 59.84 1i8d n THR 105 Cb 0.94 0.38 -0.10 0.00 -1.55 0.00 0.00 70.33 70.00 1i8d n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1i8d s THR 106 N -2.61 1.50 0.13 1.09 -4.23 -1.26 0.01 115.64 110.27 1i8d s THR 106 Ca 0.09 -2.14 0.04 0.00 -1.18 0.00 0.00 61.69 58.50 1i8d s THR 106 Cb -0.01 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1i8d s THR 106 CO 0.06 -0.53 -0.09 0.00 -0.54 0.00 0.00 174.62 173.52 1i8d s ALA 107 N -3.12 1.31 -0.12 3.99 0.00 0.32 -3.20 121.76 120.95 1i8d s ALA 107 Ca 0.24 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 1i8d s ALA 107 Cb 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1i8d s ALA 107 CO 0.07 -0.13 -0.08 -2.00 0.00 0.00 0.00 175.76 173.62 1i8d s GLU 108 N -3.73 3.27 -0.22 0.00 2.12 -0.85 0.19 118.70 119.48 1i8d s GLU 108 Ca 0.15 -0.58 -0.28 0.00 0.36 0.00 0.00 54.97 54.62 1i8d s GLU 108 Cb 0.03 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1i8d s GLU 108 CO -0.01 0.38 2.04 0.08 -0.54 0.00 0.00 175.26 177.20 1i8d s VAL 109 N -0.04 3.19 -0.02 3.70 1.01 0.22 -0.94 120.40 127.53 1i8d s VAL 109 Ca -0.00 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1i8d s VAL 109 Cb -0.14 -3.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1i8d s VAL 109 CO 0.03 -0.13 0.10 0.00 0.00 0.00 0.00 175.10 175.09 1i8d n ALA 110 N 10.67 2.18 -2.35 5.51 0.00 -1.26 0.69 120.51 135.95 1i8d n ALA 110 Ca 0.26 -0.10 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 1i8d n ALA 110 Cb 0.45 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 1i8d n ALA 110 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i8d s ILE 121 N -2.24 4.73 -0.13 0.00 1.01 0.79 -4.89 121.20 120.47 1i8d s ILE 121 Ca -0.01 1.48 -0.06 0.00 0.00 0.00 0.00 60.65 62.06 1i8d s ILE 121 Cb 0.03 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1i8d s ILE 121 CO 0.18 0.42 0.07 0.26 0.00 0.00 0.00 174.94 175.87 1i8d s TRP 122 N -0.35 3.35 -0.04 3.97 0.52 -1.26 0.24 118.94 125.37 1i8d s TRP 122 Ca 0.35 0.27 0.06 0.00 0.02 0.00 0.00 56.10 56.80 1i8d s TRP 122 Cb -0.20 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 1i8d s TRP 122 CO 0.21 0.44 -0.23 -0.06 0.02 0.00 0.00 176.95 177.33 1i8d s PHE 123 N -0.45 2.20 -0.38 -1.98 0.40 0.34 -4.69 117.98 113.42 1i8d s PHE 123 Ca 0.10 -0.55 -0.19 0.00 -0.60 0.00 0.00 56.93 55.69 1i8d s PHE 123 Cb -0.12 -1.44 0.01 0.00 0.51 0.00 0.00 43.02 41.98 1i8d s PHE 123 CO 0.02 -0.13 0.55 0.21 0.70 0.00 0.00 175.22 176.56 1i8d s LYS 124 N -0.30 3.51 -0.35 0.44 2.47 -0.11 -1.78 119.74 123.61 1i8d s LYS 124 Ca 0.02 -0.24 -0.29 0.00 -1.56 0.00 0.00 55.97 53.90 1i8d s LYS 124 Cb -0.11 -3.85 0.01 0.00 -1.46 0.00 0.00 37.83 32.41 1i8d s LYS 124 CO 0.02 -0.75 1.21 0.08 0.16 0.00 0.00 175.35 176.07 1i8d s VAL 125 N 2.50 4.24 0.19 4.02 1.01 -0.95 -2.01 120.40 129.39 1i8d s VAL 125 Ca 0.20 1.38 -0.15 0.00 0.00 0.00 0.00 61.98 63.40 1i8d s VAL 125 Cb -0.15 -4.32 0.15 0.00 0.00 0.00 0.00 36.38 32.06 1i8d s VAL 125 CO 0.15 -0.60 1.65 1.56 0.00 0.00 0.00 175.10 177.86 1i8d h GLN 126 N 9.04 0.00 -2.06 2.72 4.20 -1.87 -2.68 115.11 124.46 1i8d h GLN 126 Ca -0.24 -0.00 -0.77 0.00 0.06 0.00 0.00 58.65 57.70 1i8d h GLN 126 Cb 1.08 -0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.58 1i8d h GLN 126 CO 1.06 0.00 0.91 -3.47 -0.67 0.00 0.00 178.83 176.65 1i8d n ASP 127 N -5.36 7.23 0.00 1.46 -0.08 -1.26 -4.88 116.55 113.66 1i8d n ASP 127 Ca 0.05 -3.78 0.00 0.00 -1.51 0.00 0.00 54.79 49.55 1i8d n ASP 127 Cb 0.27 -1.05 0.00 0.00 2.34 0.00 0.00 41.12 42.67 1i8d n ASP 127 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1i8d n SER 128 N -0.37 0.00 0.24 1.67 7.64 -1.01 -0.92 113.62 120.86 1i8d n SER 128 Ca 0.50 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.46 1i8d n SER 128 Cb 0.27 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 64.06 1i8d n SER 128 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1i8d h GLN 129 N 0.00 0.00 0.00 1.43 4.15 -1.90 -2.42 115.11 116.37 1i8d h GLN 129 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1i8d h GLN 129 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1i8d h GLN 129 CO 0.00 0.17 0.00 1.28 -1.93 0.00 0.00 178.83 178.35 1i8d n LEU 130 N -4.01 0.00 0.27 -2.39 4.77 -0.09 -3.54 117.00 112.01 1i8d n LEU 130 Ca -0.02 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1i8d n LEU 130 Cb 0.26 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.13 1i8d n LEU 130 CO 0.34 0.00 1.01 -0.03 -1.33 0.00 0.00 177.39 177.38 1i8d h MET 131 N 0.00 0.00 0.00 3.23 4.05 -1.66 -1.47 114.93 119.08 1i8d h MET 131 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1i8d h MET 131 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1i8d h MET 131 CO 0.00 0.09 0.00 0.36 0.23 0.00 0.00 176.91 177.59 1i8d n LYS 132 N -3.66 0.12 -0.00 0.39 2.85 -1.23 -1.12 118.16 115.51 1i8d n LYS 132 Ca -0.02 0.62 0.07 0.00 -1.05 0.00 0.00 58.31 57.93 1i8d n LYS 132 Cb 0.20 -1.90 -0.08 0.00 -0.65 0.00 0.00 35.03 32.60 1i8d n LYS 132 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1i8d n TYR 133 N -2.16 0.00 -3.36 5.58 0.53 -0.55 -4.85 117.16 112.35 1i8d n TYR 133 Ca -0.01 0.00 -0.45 0.00 -1.02 0.00 0.00 57.90 56.42 1i8d n TYR 133 Cb 0.03 -0.04 -0.06 0.00 -1.03 0.00 0.00 39.34 38.24 1i8d n TYR 133 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1i8d s ILE 134 N -2.41 5.12 0.13 -0.72 1.01 -0.27 -4.78 121.20 119.28 1i8d s ILE 134 Ca 0.04 -1.39 0.09 0.00 0.00 0.00 0.00 60.65 59.40 1i8d s ILE 134 Cb 0.11 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1i8d s ILE 134 CO 0.58 -0.77 -0.22 -0.76 0.00 0.00 0.00 174.94 173.78 1i8d s LEU 135 N 1.59 2.35 0.24 2.97 1.43 -1.26 -4.94 118.68 121.05 1i8d s LEU 135 Ca 0.03 -0.76 -0.31 0.00 -1.03 0.00 0.00 54.13 52.06 1i8d s LEU 135 Cb -0.28 -0.98 -0.13 0.00 0.03 0.00 0.00 46.19 44.83 1i8d s LEU 135 CO 0.04 0.07 1.51 0.00 0.23 0.00 0.00 176.35 178.20 1i8d n TYR 136 N 0.78 2.40 -1.17 0.29 9.36 -1.26 -0.48 117.16 127.07 1i8d n TYR 136 Ca -0.17 0.33 -0.06 0.00 3.32 0.00 0.00 57.90 61.32 1i8d n TYR 136 Cb 0.54 -2.52 -0.02 0.00 -0.63 0.00 0.00 39.34 36.71 1i8d n TYR 136 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1i8d n LYS 137 N 2.44 -0.77 -3.90 2.98 5.02 0.32 -4.95 118.16 119.30 1i8d n LYS 137 Ca 0.12 0.60 -0.22 0.00 -2.02 0.00 0.00 58.31 56.78 1i8d n LYS 137 Cb 0.32 -4.42 -0.05 0.00 -0.02 0.00 0.00 35.03 30.87 1i8d n LYS 137 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1i8d s GLY 138 N -2.54 2.01 0.65 0.72 0.00 0.37 -4.80 107.32 103.73 1i8d s GLY 138 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 42.79 1i8d s GLY 138 CO 0.00 -1.72 1.00 -1.36 0.00 0.00 0.00 173.10 171.02 1i8d s PHE 139 N -2.43 3.28 0.02 1.90 2.99 -1.26 0.31 117.98 122.78 1i8d s PHE 139 Ca 0.42 0.83 -0.28 0.00 0.00 0.00 0.00 56.93 57.90 1i8d s PHE 139 Cb -0.03 -2.92 0.10 0.00 0.00 0.00 0.00 43.02 40.18 1i8d s PHE 139 CO 0.25 -1.02 0.86 -1.50 -0.00 0.00 0.00 175.22 173.81 1i8d s ILE 140 N -3.18 0.00 -0.21 0.64 2.07 0.16 -4.52 121.20 116.16 1i8d s ILE 140 Ca 0.56 -0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.77 1i8d s ILE 140 Cb -0.11 -1.05 0.02 0.00 0.13 0.00 0.00 42.46 41.45 1i8d s ILE 140 CO 0.48 0.00 -0.14 -0.83 -1.91 0.00 0.00 174.94 172.54 1i8d s GLY 141 N -2.53 1.50 -0.27 1.50 0.00 -0.62 -0.36 107.32 106.54 1i8d s GLY 141 Ca 0.05 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1i8d s GLY 141 CO -0.09 0.38 -0.08 -0.42 0.00 0.00 0.00 173.10 172.89 1i8d s ILE 142 N 1.31 2.41 -1.26 0.90 1.01 0.18 -1.17 121.20 124.58 1i8d s ILE 142 Ca 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.15 1i8d s ILE 142 Cb -0.15 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1i8d s ILE 142 CO -0.09 -0.02 0.00 0.47 0.00 0.00 0.00 174.94 175.30 1i8d n ASP 143 N 4.50 -4.42 0.00 3.58 8.00 -0.23 -0.70 116.55 127.27 1i8d n ASP 143 Ca -0.14 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1i8d n ASP 143 Cb 0.43 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1i8d n ASP 143 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i8d n GLY 144 N -0.85 0.72 3.49 0.44 0.00 -1.25 -3.15 105.19 104.60 1i8d n GLY 144 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1i8d n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i8d s ILE 145 N -2.46 4.61 0.09 -0.61 1.01 0.12 -4.27 121.20 119.69 1i8d s ILE 145 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.27 1i8d s ILE 145 Cb 0.00 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.23 1i8d s ILE 145 CO 0.00 0.32 1.35 -0.55 0.00 0.00 0.00 174.94 176.06 1i8d s SER 146 N 1.60 6.88 0.15 3.58 0.15 -0.63 -0.65 113.70 124.78 1i8d s SER 146 Ca 0.06 2.23 -0.09 0.00 0.70 0.00 0.00 55.95 58.85 1i8d s SER 146 Cb -0.15 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1i8d s SER 146 CO 0.06 -0.62 0.27 -0.76 1.20 0.00 0.00 173.24 173.39 1i8d s LEU 147 N 1.26 1.02 -0.13 3.45 1.43 0.51 -4.96 118.68 121.26 1i8d s LEU 147 Ca 0.63 -0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 1i8d s LEU 147 Cb -0.35 1.21 -0.04 0.00 0.03 0.00 0.00 46.19 47.05 1i8d s LEU 147 CO 0.30 -0.86 0.05 -0.89 0.23 0.00 0.00 176.35 175.18 1i8d s THR 148 N -3.93 4.74 0.15 5.49 2.01 -1.25 0.40 115.64 123.24 1i8d s THR 148 Ca 0.13 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1i8d s THR 148 Cb 0.03 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.41 1i8d s THR 148 CO -0.03 0.56 1.24 -0.69 -0.69 0.00 0.00 174.62 175.01 1i8d s VAL 149 N -0.47 3.59 0.00 3.82 1.01 0.90 -4.40 120.40 124.84 1i8d s VAL 149 Ca 0.10 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1i8d s VAL 149 Cb -0.12 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1i8d s VAL 149 CO 0.02 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1i8d n GLY 150 N 2.65 0.89 3.75 4.51 0.00 0.58 -0.52 105.19 117.05 1i8d n GLY 150 Ca 0.07 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1i8d n GLY 150 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i8d s GLU 151 N 2.47 2.74 0.25 1.61 2.12 -1.25 -4.33 118.70 122.30 1i8d s GLU 151 Ca 0.00 1.68 0.01 0.00 0.36 0.00 0.00 54.97 57.02 1i8d s GLU 151 Cb 0.00 -1.92 -0.05 0.00 0.26 0.00 0.00 34.13 32.42 1i8d s GLU 151 CO 0.00 -1.35 0.09 0.14 -0.54 0.00 0.00 175.26 173.60 1i8d s VAL 152 N -1.91 0.56 0.28 3.70 -7.23 -1.26 -0.02 120.40 114.53 1i8d s VAL 152 Ca 0.73 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.87 1i8d s VAL 152 Cb -0.27 -2.59 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 1i8d s VAL 152 CO 0.38 -0.04 0.37 0.42 -0.31 0.00 0.00 175.10 175.92 1i8d s THR 153 N -3.75 0.00 0.44 5.32 -4.23 0.57 -4.96 115.64 109.03 1i8d s THR 153 Ca 0.37 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.29 1i8d s THR 153 Cb 0.08 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.67 1i8d s THR 153 CO 0.13 0.00 2.05 -0.65 -0.54 0.00 0.00 174.62 175.61 1i8d h PRO 154 N 2.27 0.30 0.00 3.99 0.11 -2.01 -3.13 132.00 133.54 1i8d h PRO 154 Ca -0.29 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1i8d h PRO 154 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1i8d h PRO 154 CO 0.41 0.26 -1.66 0.25 -0.21 0.00 0.00 178.00 177.04 1i8d n THR 155 N -4.44 0.00 -4.17 -1.15 -2.24 -1.26 -4.88 114.28 96.13 1i8d n THR 155 Ca 0.00 -0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.28 1i8d n THR 155 Cb 0.12 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 1i8d n THR 155 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i8d s ARG 156 N -3.17 1.54 0.13 -0.78 3.03 -1.18 -2.25 118.95 116.27 1i8d s ARG 156 Ca -0.04 -1.70 -0.07 0.00 2.03 0.00 0.00 55.73 55.94 1i8d s ARG 156 Cb 0.12 0.35 -0.01 0.00 -1.03 0.00 0.00 34.95 34.38 1i8d s ARG 156 CO 0.76 -0.57 0.21 -0.59 -1.13 0.00 0.00 175.30 173.98 1i8d s PHE 157 N -3.73 0.41 0.05 5.89 -0.12 -0.74 -0.31 117.98 119.43 1i8d s PHE 157 Ca 0.35 -0.80 0.07 0.00 -0.05 0.00 0.00 56.93 56.50 1i8d s PHE 157 Cb 0.03 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1i8d s PHE 157 CO 0.17 -0.63 -0.19 0.00 -0.05 0.00 0.00 175.22 174.53 1i8d s VAL 159 N -0.87 1.14 -0.35 0.00 -7.23 0.14 0.22 120.40 113.44 1i8d s VAL 159 Ca 0.05 -1.11 -0.08 0.00 -1.81 0.00 0.00 61.98 59.03 1i8d s VAL 159 Cb -0.09 -1.05 0.03 0.00 0.56 0.00 0.00 36.38 35.84 1i8d s VAL 159 CO 0.02 -0.06 0.15 -1.00 -0.31 0.00 0.00 175.10 173.89 1i8d s HIS 160 N -0.98 3.24 0.11 2.82 3.76 -1.26 -0.15 115.29 122.83 1i8d s HIS 160 Ca 0.01 -1.20 -0.05 0.00 -0.15 0.00 0.00 55.06 53.67 1i8d s HIS 160 Cb -0.09 -2.34 -0.05 0.00 1.11 0.00 0.00 32.58 31.21 1i8d s HIS 160 CO 0.02 -0.69 0.34 -0.51 -0.85 0.00 0.00 174.74 173.05 1i8d s LEU 161 N 1.47 4.30 0.23 0.89 1.43 -1.26 -4.94 118.68 120.80 1i8d s LEU 161 Ca 0.00 0.55 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 1i8d s LEU 161 Cb -0.19 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 1i8d s LEU 161 CO 0.04 0.10 0.02 0.27 0.23 0.00 0.00 176.35 177.02 1i8d s ILE 162 N -1.58 3.68 0.16 -0.59 -4.36 -1.26 -5.01 121.20 112.24 1i8d s ILE 162 Ca 0.38 -1.65 -0.26 0.00 -0.26 0.00 0.00 60.65 58.86 1i8d s ILE 162 Cb -0.12 -2.92 0.02 0.00 1.25 0.00 0.00 42.46 40.68 1i8d s ILE 162 CO 0.24 -0.26 1.57 -0.65 0.24 0.00 0.00 174.94 176.07 1i8d h PRO 163 N 2.17 -0.27 -0.70 0.37 0.11 -1.99 -1.74 132.00 129.94 1i8d h PRO 163 Ca -0.46 0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1i8d h PRO 163 Cb 1.23 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 1i8d h PRO 163 CO 0.59 -0.18 0.46 1.49 -0.21 0.00 0.00 178.00 180.15 1i8d h GLU 164 N -0.28 0.60 -0.33 1.05 4.81 -2.00 -1.74 114.58 116.70 1i8d h GLU 164 Ca 0.16 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1i8d h GLU 164 Cb 0.57 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1i8d h GLU 164 CO -0.62 0.40 0.15 1.15 -0.73 0.00 0.00 179.01 179.36 1i8d h THR 165 N 0.62 1.17 -0.68 0.32 2.02 -1.75 0.10 112.91 114.72 1i8d h THR 165 Ca 0.32 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1i8d h THR 165 Cb 0.43 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1i8d h THR 165 CO -0.11 0.18 0.33 -0.07 0.37 0.00 0.00 175.52 176.22 1i8d h LEU 166 N 0.39 0.88 -0.20 2.58 3.38 -0.81 -2.60 115.31 118.94 1i8d h LEU 166 Ca 0.11 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1i8d h LEU 166 Cb 0.14 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.67 1i8d h LEU 166 CO -0.01 0.76 -0.63 1.05 0.09 0.00 0.00 178.44 179.70 1i8d h GLU 167 N 0.94 0.77 0.00 1.13 4.11 -1.31 -3.17 114.58 117.05 1i8d h GLU 167 Ca 0.23 -0.57 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1i8d h GLU 167 Cb 0.11 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1i8d h GLU 167 CO -0.03 1.19 0.00 0.54 0.07 0.00 0.00 179.01 180.78 1i8d n ARG 168 N -4.03 0.91 -4.32 1.06 5.12 0.01 -4.87 116.66 110.54 1i8d n ARG 168 Ca -0.06 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.68 1i8d n ARG 168 Cb 0.67 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.37 1i8d n ARG 168 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1i8d s THR 169 N -2.02 0.32 -2.15 0.55 -4.23 -0.98 -4.68 115.64 102.45 1i8d s THR 169 Ca 0.44 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.24 1i8d s THR 169 Cb 0.20 -2.53 0.64 0.00 1.34 0.00 0.00 72.50 72.16 1i8d s THR 169 CO 0.35 0.00 1.91 0.35 -0.54 0.00 0.00 174.62 176.69 1i8d n THR 170 N -0.55 0.00 -0.16 3.99 -2.24 -1.26 -3.80 114.28 110.27 1i8d n THR 170 Ca 0.01 -0.13 -0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1i8d n THR 170 Cb 0.65 0.06 0.25 0.00 -2.10 0.00 0.00 70.33 69.20 1i8d n THR 170 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1i8d h LEU 171 N 1.21 0.78 0.19 3.22 6.46 -1.87 -2.74 115.31 122.57 1i8d h LEU 171 Ca 0.00 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1i8d h LEU 171 Cb 0.31 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1i8d h LEU 171 CO 0.00 0.63 -0.46 1.23 -0.62 0.00 0.00 178.44 179.21 1i8d h GLY 172 N 0.94 -1.00 0.26 3.75 0.00 -1.64 -0.46 103.07 104.91 1i8d h GLY 172 Ca 0.23 0.55 0.00 0.00 0.00 0.00 0.00 47.33 48.11 1i8d h GLY 172 CO -0.04 -0.29 0.00 0.28 0.00 0.00 0.00 176.54 176.50 1i8d n LYS 173 N -5.49 0.11 -3.05 4.80 4.01 -1.04 -4.67 118.16 112.82 1i8d n LYS 173 Ca -0.08 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.30 1i8d n LYS 173 Cb 0.40 -1.13 -0.06 0.00 -0.51 0.00 0.00 35.03 33.74 1i8d n LYS 173 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1i8d s LYS 174 N -2.00 3.88 0.35 1.97 1.02 -0.18 -5.01 119.74 119.75 1i8d s LYS 174 Ca 0.01 0.35 -0.14 0.00 0.02 0.00 0.00 55.97 56.22 1i8d s LYS 174 Cb 0.01 -3.74 -0.08 0.00 -0.52 0.00 0.00 37.83 33.49 1i8d s LYS 174 CO 0.01 -0.65 0.75 -1.59 -0.92 0.00 0.00 175.35 172.95 1i8d s LYS 175 N 2.76 3.94 0.00 1.68 0.00 -1.26 -4.96 119.74 121.90 1i8d s LYS 175 Ca 0.28 0.62 -0.39 0.00 0.00 0.00 0.00 55.97 56.47 1i8d s LYS 175 Cb -0.14 -2.42 -0.19 0.00 0.00 0.00 0.00 37.83 35.08 1i8d s LYS 175 CO 0.13 0.10 1.19 -0.11 0.00 0.00 0.00 175.35 176.65 1i8d n LEU 176 N -0.63 0.59 0.00 2.77 7.94 -1.26 0.06 117.00 126.47 1i8d n LEU 176 Ca 0.03 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 1i8d n LEU 176 Cb 0.53 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1i8d n LEU 176 CO 0.43 -1.57 0.00 0.61 -1.11 0.00 0.00 177.39 175.75 1i8d n GLY 177 N 1.96 2.23 3.76 -3.96 0.00 0.22 -4.95 105.19 104.45 1i8d n GLY 177 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1i8d n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i8d s ALA 178 N -2.54 2.86 -0.02 4.61 0.00 0.11 -4.43 121.76 122.35 1i8d s ALA 178 Ca 0.00 1.15 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 1i8d s ALA 178 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1i8d s ALA 178 CO 0.00 -1.07 0.28 0.50 0.00 0.00 0.00 175.76 175.47 1i8d s ARG 179 N -2.85 3.65 0.11 0.00 3.52 -1.25 0.71 118.95 122.83 1i8d s ARG 179 Ca 0.69 0.06 0.06 0.00 -0.13 0.00 0.00 55.73 56.41 1i8d s ARG 179 Cb -0.35 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1i8d s ARG 179 CO 0.41 0.68 -0.15 0.14 -0.81 0.00 0.00 175.30 175.58 1i8d s VAL 180 N -1.18 1.36 -0.03 7.11 -7.23 0.51 -4.92 120.40 116.01 1i8d s VAL 180 Ca 0.24 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.50 1i8d s VAL 180 Cb -0.14 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 1i8d s VAL 180 CO 0.12 -0.33 0.89 0.20 -0.31 0.00 0.00 175.10 175.68 1i8d s ASN 181 N -2.26 7.23 -0.23 4.85 0.01 -1.26 0.12 114.94 123.40 1i8d s ASN 181 Ca 0.07 1.49 -0.05 0.00 -0.71 0.00 0.00 52.86 53.65 1i8d s ASN 181 Cb -0.07 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1i8d s ASN 181 CO 0.03 -0.24 0.01 -0.63 -1.51 0.00 0.00 177.10 174.77 1i8d s ILE 182 N 1.07 3.87 -0.26 0.60 -1.09 0.10 -1.06 121.20 124.43 1i8d s ILE 182 Ca 0.47 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.49 1i8d s ILE 182 Cb -0.20 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1i8d s ILE 182 CO 0.24 0.39 0.07 -0.70 -1.23 0.00 0.00 174.94 173.70 1i8d s GLU 183 N 1.43 3.53 0.32 2.79 2.12 -0.32 -0.38 118.70 128.18 1i8d s GLU 183 Ca 0.05 -0.56 -0.27 0.00 0.36 0.00 0.00 54.97 54.55 1i8d s GLU 183 Cb -0.15 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 1i8d s GLU 183 CO 0.01 -0.24 1.04 0.42 -0.54 0.00 0.00 175.26 175.94 1i8d s ILE 184 N 1.59 3.75 -0.18 -3.70 -1.09 -1.26 -1.59 121.20 118.72 1i8d s ILE 184 Ca 0.06 1.58 -0.29 0.00 -2.23 0.00 0.00 60.65 59.76 1i8d s ILE 184 Cb -0.15 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1i8d s ILE 184 CO 0.03 0.24 1.72 -0.62 -1.23 0.00 0.00 174.94 175.07 1i8d s ASP 185 N -1.25 6.31 0.37 3.58 -1.08 -1.26 -4.85 116.67 118.49 1i8d s ASP 185 Ca 0.49 1.81 0.13 0.00 -0.52 0.00 0.00 52.55 54.46 1i8d s ASP 185 Cb -0.26 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 39.62 1i8d s ASP 185 CO 0.33 -1.28 1.83 -0.65 0.52 0.00 0.00 175.17 175.91 1i8d h PRO 186 N 11.08 0.53 0.12 4.34 0.11 -1.93 -0.99 132.00 145.27 1i8d h PRO 186 Ca -0.36 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1i8d h PRO 186 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1i8d h PRO 186 CO 0.99 0.35 -0.06 0.37 -0.21 0.00 0.00 178.00 179.44 1i8d h GLN 187 N 0.55 -0.16 -0.59 1.05 4.15 -1.93 -1.87 115.11 116.30 1i8d h GLN 187 Ca 0.51 0.01 0.06 0.00 0.77 0.00 0.00 58.65 60.00 1i8d h GLN 187 Cb 1.07 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.75 1i8d h GLN 187 CO -0.25 0.06 0.30 1.15 -1.93 0.00 0.00 178.83 178.17 1i8d h THR 188 N -0.37 0.94 -0.48 2.39 2.02 -1.68 0.11 112.91 115.83 1i8d h THR 188 Ca -0.02 -0.19 0.08 0.00 0.77 0.00 0.00 66.41 67.05 1i8d h THR 188 Cb 0.30 0.32 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 1i8d h THR 188 CO 0.03 0.10 0.10 -0.61 0.37 0.00 0.00 175.52 175.51 1i8d h GLN 189 N 0.57 0.23 -0.60 6.66 4.15 -1.07 0.18 115.11 125.22 1i8d h GLN 189 Ca 0.26 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.61 1i8d h GLN 189 Cb 0.18 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 1i8d h GLN 189 CO -0.18 0.15 0.15 0.00 -1.93 0.00 0.00 178.83 177.02 1i8d h ALA 190 N 1.37 0.80 0.25 3.38 0.00 -0.48 -0.82 119.26 123.76 1i8d h ALA 190 Ca 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1i8d h ALA 190 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1i8d h ALA 190 CO -0.31 0.50 -0.12 0.28 0.00 0.00 0.00 179.25 179.60 1i8d h VAL 191 N 0.88 0.80 -0.32 0.00 2.07 -0.32 -2.23 116.25 117.14 1i8d h VAL 191 Ca 0.19 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.28 1i8d h VAL 191 Cb 0.35 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1i8d h VAL 191 CO 0.00 0.10 -0.04 0.58 0.02 0.00 0.00 177.57 178.23 1i8d h VAL 192 N -0.59 0.72 -0.20 2.57 2.07 -0.54 0.26 116.25 120.53 1i8d h VAL 192 Ca -0.03 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1i8d h VAL 192 Cb 0.43 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1i8d h VAL 192 CO 0.06 0.01 0.09 0.44 0.02 0.00 0.00 177.57 178.18 1i8d h ASP 193 N 0.04 0.13 0.14 0.57 3.32 -1.20 -2.16 116.42 117.26 1i8d h ASP 193 Ca 0.15 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1i8d h ASP 193 Cb 0.22 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1i8d h ASP 193 CO -0.29 0.10 -0.27 0.74 -1.72 0.00 0.00 179.24 177.80 1i8d h THR 194 N 0.20 0.41 -0.43 0.35 2.02 -0.74 -0.36 112.91 114.36 1i8d h THR 194 Ca 0.08 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.35 1i8d h THR 194 Cb 0.03 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 66.76 1i8d h THR 194 CO -0.07 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.20 1i8d h VAL 195 N -0.50 0.39 0.07 3.16 2.07 -0.38 -1.19 116.25 119.88 1i8d h VAL 195 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1i8d h VAL 195 Cb 0.51 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1i8d h VAL 195 CO -0.14 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.09 1i8d h GLU 196 N -0.12 -0.09 -0.90 1.57 5.08 -1.07 0.40 114.58 119.46 1i8d h GLU 196 Ca 0.21 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.75 1i8d h GLU 196 Cb 0.44 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.60 1i8d h GLU 196 CO -0.51 0.13 0.46 -0.09 -1.00 0.00 0.00 179.01 178.00 1i8d h ARG 197 N -0.29 0.57 0.76 2.33 2.43 -0.80 0.90 114.38 120.28 1i8d h ARG 197 Ca -0.01 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1i8d h ARG 197 Cb 0.26 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1i8d h ARG 197 CO 0.02 0.38 -0.36 0.28 -1.51 0.00 0.00 179.97 178.77 1i8d h VAL 198 N 0.59 0.00 0.00 0.20 2.07 -0.87 -3.03 116.25 115.20 1i8d h VAL 198 Ca 0.52 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1i8d h VAL 198 Cb 0.83 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1i8d h VAL 198 CO -0.42 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.35 1i8d n LEU 199 N -5.44 0.00 0.10 2.57 4.77 0.10 -2.36 117.00 116.74 1i8d n LEU 199 Ca -0.13 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 1i8d n LEU 199 Cb 0.40 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1i8d n LEU 199 CO 0.30 -0.04 0.62 0.00 -1.33 0.00 0.00 177.39 176.94 1i8d h ALA 200 N 3.10 -0.26 0.00 -1.18 0.00 0.97 -3.49 119.26 118.39 1i8d h ALA 200 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1i8d h ALA 200 Cb 0.05 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1i8d h ALA 200 CO 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.77