#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtl s PHE 41 N 0.00 3.85 0.00 0.00 0.40 -1.26 -4.67 117.98 116.30 1xtl s PHE 41 Ca 0.00 1.82 0.00 0.00 -0.60 0.00 0.00 56.93 58.15 1xtl s PHE 41 Cb 0.00 -3.05 0.00 0.00 0.51 0.00 0.00 43.02 40.48 1xtl s PHE 41 CO 0.00 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.55 1xtl n GLY 42 N 1.99 5.14 3.84 4.36 0.00 0.25 -4.89 105.19 115.89 1xtl n GLY 42 Ca 0.01 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 1xtl n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xtl n HIS 43 N 0.00 -1.76 -1.70 1.61 8.25 -1.26 -1.30 115.22 119.06 1xtl n HIS 43 Ca 0.00 0.76 -0.43 0.00 -0.26 0.00 0.00 57.72 57.78 1xtl n HIS 43 Cb 0.00 -3.95 -0.03 0.00 1.12 0.00 0.00 29.99 27.13 1xtl n HIS 43 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xtl n HIS 44 N -4.33 2.56 -3.75 4.41 -0.00 -1.26 -4.43 115.22 108.41 1xtl n HIS 44 Ca -0.29 0.21 -0.25 0.00 0.46 0.00 0.00 57.72 57.85 1xtl n HIS 44 Cb 0.68 -2.59 -0.17 0.00 -0.12 0.00 0.00 29.99 27.79 1xtl n HIS 44 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1xtl s VAL 45 N 0.64 0.41 0.04 3.57 -7.23 -0.35 -5.00 120.40 112.48 1xtl s VAL 45 Ca 0.72 -0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 1xtl s VAL 45 Cb -0.57 -0.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 1xtl s VAL 45 CO 0.40 0.08 1.16 -1.58 -0.31 0.00 0.00 175.10 174.85 1xtl s GLN 46 N 1.94 4.45 -0.04 4.82 0.74 -1.26 -0.79 119.66 129.52 1xtl s GLN 46 Ca 0.03 1.69 -0.19 0.00 0.05 0.00 0.00 55.36 56.94 1xtl s GLN 46 Cb -0.14 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.53 1xtl s GLN 46 CO -0.06 -0.24 0.53 -0.51 -0.55 0.00 0.00 175.29 174.46 1xtl s LEU 47 N 1.18 4.38 0.17 3.68 1.43 -0.52 -4.37 118.68 124.62 1xtl s LEU 47 Ca 0.57 1.02 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1xtl s LEU 47 Cb -0.27 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1xtl s LEU 47 CO 0.28 0.11 -0.18 0.68 0.23 0.00 0.00 176.35 177.47 1xtl s VAL 48 N -0.07 1.82 0.29 -1.59 -7.23 -0.97 -1.46 120.40 111.18 1xtl s VAL 48 Ca 0.28 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1xtl s VAL 48 Cb -0.17 -1.85 0.06 0.00 0.56 0.00 0.00 36.38 34.98 1xtl s VAL 48 CO 0.14 -0.32 0.39 -0.46 -0.31 0.00 0.00 175.10 174.54 1xtl n ASN 49 N 0.27 0.38 -0.24 4.85 0.23 0.18 -1.84 115.26 119.09 1xtl n ASN 49 Ca -0.13 -1.35 -0.07 0.00 -0.53 0.00 0.00 54.58 52.49 1xtl n ASN 49 Cb 0.57 -0.27 0.06 0.00 -2.08 0.00 0.00 39.78 38.06 1xtl n ASN 49 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1xtl h ARG 50 N 0.00 1.12 0.00 -3.83 3.08 -1.75 -1.90 114.38 111.10 1xtl h ARG 50 Ca -0.13 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1xtl h ARG 50 Cb 0.44 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1xtl h ARG 50 CO 0.12 0.99 0.00 0.39 -1.07 0.00 0.00 179.97 180.41 1xtl n GLU 51 N -4.23 0.69 -0.36 0.04 4.71 -1.26 -4.40 120.64 115.83 1xtl n GLU 51 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1xtl n GLU 51 Cb 0.27 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 1xtl n GLU 51 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xtl n GLY 52 N 0.35 0.72 3.67 0.62 0.00 -0.71 -5.05 105.19 104.79 1xtl n GLY 52 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1xtl n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xtl s LYS 53 N -0.64 4.32 -0.42 1.61 2.20 -1.26 -4.74 119.74 120.81 1xtl s LYS 53 Ca 0.00 1.51 -0.44 0.00 -0.36 0.00 0.00 55.97 56.68 1xtl s LYS 53 Cb 0.00 -3.62 -0.18 0.00 -1.51 0.00 0.00 37.83 32.52 1xtl s LYS 53 CO 0.00 -0.51 1.70 0.00 -0.36 0.00 0.00 175.35 176.17 1xtl n ALA 54 N 5.74 -0.79 -2.38 3.13 0.00 -1.26 -0.65 120.51 124.30 1xtl n ALA 54 Ca 0.11 0.43 -0.00 0.00 0.00 0.00 0.00 53.44 53.98 1xtl n ALA 54 Cb 0.47 -2.05 0.06 0.00 0.00 0.00 0.00 19.45 17.92 1xtl n ALA 54 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xtl n VAL 55 N 4.43 1.04 0.00 0.00 0.24 -0.53 -4.93 118.33 118.58 1xtl n VAL 55 Ca 0.31 -2.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 1xtl n VAL 55 Cb 0.02 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 1xtl n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xtl n GLY 56 N -0.24 0.61 3.61 7.63 0.00 -1.25 -2.43 105.19 113.11 1xtl n GLY 56 Ca 0.13 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 1xtl n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xtl s PHE 57 N -0.83 -0.16 0.06 1.61 -0.71 -0.76 -1.44 117.98 115.74 1xtl s PHE 57 Ca 0.00 -0.20 0.07 0.00 -1.04 0.00 0.00 56.93 55.76 1xtl s PHE 57 Cb 0.00 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 1xtl s PHE 57 CO 0.00 -1.00 -0.19 0.42 -1.34 0.00 0.00 175.22 173.10 1xtl s ILE 58 N -3.88 1.54 0.07 -4.49 1.01 0.03 -1.32 121.20 114.16 1xtl s ILE 58 Ca 0.10 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1xtl s ILE 58 Cb -0.02 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 1xtl s ILE 58 CO -0.01 0.10 -0.08 -1.61 0.00 0.00 0.00 174.94 173.34 1xtl s GLU 59 N -1.34 0.71 0.07 2.79 2.02 -0.27 -1.21 118.70 121.48 1xtl s GLU 59 Ca 0.06 -1.06 0.07 0.00 0.02 0.00 0.00 54.97 54.05 1xtl s GLU 59 Cb -0.09 -0.30 -0.03 0.00 0.10 0.00 0.00 34.13 33.81 1xtl s GLU 59 CO 0.02 0.03 -0.19 0.42 0.02 0.00 0.00 175.26 175.56 1xtl s ILE 60 N -2.48 1.55 -0.02 -1.63 1.01 -0.42 -0.72 121.20 118.48 1xtl s ILE 60 Ca 0.02 -1.31 0.01 0.00 0.00 0.00 0.00 60.65 59.36 1xtl s ILE 60 Cb -0.03 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 41.07 1xtl s ILE 60 CO -0.02 0.03 -0.02 -0.75 0.00 0.00 0.00 174.94 174.18 1xtl s LYS 61 N -1.51 0.43 -0.95 2.79 2.36 -0.41 -0.58 119.74 121.87 1xtl s LYS 61 Ca 0.05 -0.03 -0.24 0.00 -2.55 0.00 0.00 55.97 53.20 1xtl s LYS 61 Cb -0.09 -0.51 -0.04 0.00 -1.05 0.00 0.00 37.83 36.13 1xtl s LYS 61 CO 0.03 -0.05 1.91 -2.00 1.55 0.00 0.00 175.35 176.78 1xtl s GLU 62 N 0.66 2.63 0.24 4.03 2.12 -1.26 -0.59 118.70 126.53 1xtl s GLU 62 Ca -0.07 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.50 1xtl s GLU 62 Cb -0.10 -5.11 -0.09 0.00 0.26 0.00 0.00 34.13 29.09 1xtl s GLU 62 CO -0.01 -3.36 1.25 0.45 -0.54 0.00 0.00 175.26 173.05 1xtl s SER 63 N 7.62 6.98 -0.18 -1.70 0.15 -0.51 -4.97 113.70 121.08 1xtl s SER 63 Ca 0.68 2.41 -0.05 0.00 0.70 0.00 0.00 55.95 59.69 1xtl s SER 63 Cb -0.05 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1xtl s SER 63 CO 0.00 -0.42 -0.01 -1.81 1.20 0.00 0.00 173.24 172.20 1xtl s ASP 64 N -0.14 4.90 0.22 5.45 -0.00 -1.26 -4.23 116.67 121.62 1xtl s ASP 64 Ca 0.52 -0.14 -0.07 0.00 -0.00 0.00 0.00 52.55 52.85 1xtl s ASP 64 Cb -0.36 -1.82 -0.02 0.00 -0.00 0.00 0.00 42.92 40.72 1xtl s ASP 64 CO 0.42 0.11 0.31 1.51 -0.00 0.00 0.00 175.17 177.53 1xtl s ASP 65 N 0.70 0.03 0.00 0.27 1.47 -1.26 -5.08 116.67 112.80 1xtl s ASP 65 Ca -0.00 -1.12 0.00 0.00 1.18 0.00 0.00 52.55 52.61 1xtl s ASP 65 Cb -0.14 0.48 0.00 0.00 -0.34 0.00 0.00 42.92 42.92 1xtl s ASP 65 CO 0.02 -0.99 0.00 -1.84 0.68 0.00 0.00 175.17 173.04 1xtl n GLU 66 N -0.32 2.91 0.00 2.11 0.00 -1.26 -5.12 120.64 118.96 1xtl n GLU 66 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1xtl n GLU 66 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.08 1xtl n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xtl n GLY 67 N 5.00 -0.46 3.07 -1.84 0.00 -1.22 -4.51 105.19 105.24 1xtl n GLY 67 Ca 0.00 -1.26 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 1xtl n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xtl s LEU 68 N 0.00 1.92 -0.11 0.99 1.43 -0.95 -1.43 118.68 120.53 1xtl s LEU 68 Ca 0.00 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.70 1xtl s LEU 68 Cb 0.00 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 1xtl s LEU 68 CO 0.00 0.13 0.37 -1.81 0.23 0.00 0.00 176.35 175.27 1xtl s ASP 69 N -0.06 6.60 -0.29 2.29 1.01 0.25 -0.24 116.67 126.23 1xtl s ASP 69 Ca 0.00 0.71 -0.00 0.00 0.71 0.00 0.00 52.55 53.97 1xtl s ASP 69 Cb -0.08 -2.23 0.05 0.00 1.01 0.00 0.00 42.92 41.68 1xtl s ASP 69 CO 0.00 0.14 -0.03 -0.63 0.21 0.00 0.00 175.17 174.86 1xtl s ILE 70 N 0.08 2.73 -0.39 0.77 1.01 0.24 -1.29 121.20 124.36 1xtl s ILE 70 Ca 0.21 -1.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.11 1xtl s ILE 70 Cb -0.14 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.75 1xtl s ILE 70 CO 0.08 -0.10 0.97 -2.28 0.00 0.00 0.00 174.94 173.61 1xtl s HIS 71 N 1.20 3.03 -0.13 3.97 5.65 0.10 -1.25 115.29 127.85 1xtl s HIS 71 Ca -0.06 0.75 0.00 0.00 0.25 0.00 0.00 55.06 56.00 1xtl s HIS 71 Cb -0.20 -3.81 -0.01 0.00 -1.18 0.00 0.00 32.58 27.38 1xtl s HIS 71 CO -0.02 -0.92 -0.14 -1.50 -0.65 0.00 0.00 174.74 171.51 1xtl s ILE 72 N 3.67 2.95 -0.30 0.89 2.07 -0.30 -1.11 121.20 129.07 1xtl s ILE 72 Ca 0.40 -0.69 -0.03 0.00 -1.41 0.00 0.00 60.65 58.92 1xtl s ILE 72 Cb -0.11 -2.24 0.11 0.00 0.13 0.00 0.00 42.46 40.35 1xtl s ILE 72 CO 0.21 0.52 0.18 -0.55 -1.91 0.00 0.00 174.94 173.40 1xtl s SER 73 N 0.45 3.00 0.22 4.50 0.15 -0.44 -1.65 113.70 119.94 1xtl s SER 73 Ca -0.10 -1.24 0.09 0.00 0.70 0.00 0.00 55.95 55.40 1xtl s SER 73 Cb -0.16 -0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.98 1xtl s SER 73 CO 0.05 -0.41 -0.17 0.00 1.20 0.00 0.00 173.24 173.90 1xtl s ALA 74 N 2.06 2.26 0.38 5.45 0.00 -0.24 -1.83 121.76 129.85 1xtl s ALA 74 Ca 0.10 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.38 1xtl s ALA 74 Cb -0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1xtl s ALA 74 CO -0.32 0.17 0.09 0.27 0.00 0.00 0.00 175.76 175.96 1xtl n ASN 75 N -0.35 1.82 -0.64 0.00 6.94 -1.02 -2.27 115.26 119.74 1xtl n ASN 75 Ca -0.08 -2.89 -0.08 0.00 -0.02 0.00 0.00 54.58 51.52 1xtl n ASN 75 Cb 0.60 0.71 -0.03 0.00 -2.36 0.00 0.00 39.78 38.70 1xtl n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1xtl n SER 76 N -1.49 -3.66 -4.99 0.53 7.64 -0.36 -4.88 113.62 106.40 1xtl n SER 76 Ca -0.09 0.14 -0.19 0.00 1.01 0.00 0.00 58.87 59.75 1xtl n SER 76 Cb 0.54 -2.08 0.01 0.00 -1.01 0.00 0.00 64.21 61.66 1xtl n SER 76 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xtl s LEU 77 N -1.82 3.75 -0.32 -3.43 1.43 -0.52 -5.04 118.68 112.74 1xtl s LEU 77 Ca 0.00 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 1xtl s LEU 77 Cb 0.00 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1xtl s LEU 77 CO 0.00 -0.66 1.85 -0.60 0.23 0.00 0.00 176.35 177.17 1xtl s ARG 78 N -4.34 3.29 0.19 1.70 3.52 -1.26 -4.42 118.95 117.63 1xtl s ARG 78 Ca 0.50 1.49 -0.32 0.00 -0.13 0.00 0.00 55.73 57.27 1xtl s ARG 78 Cb -0.10 -4.22 -0.12 0.00 -1.56 0.00 0.00 34.95 28.95 1xtl s ARG 78 CO 0.33 -1.91 1.73 -2.30 -0.81 0.00 0.00 175.30 172.35 1xtl n PRO 79 N 8.48 2.73 -0.89 5.12 -0.02 -1.26 -1.80 135.00 147.37 1xtl n PRO 79 Ca 0.24 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.71 1xtl n PRO 79 Cb 0.47 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 1xtl n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xtl n GLY 80 N 3.97 0.31 3.77 -1.23 0.00 0.12 -4.91 105.19 107.22 1xtl n GLY 80 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1xtl n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtl s ALA 81 N -1.79 2.48 -0.25 4.61 0.00 -0.75 -4.74 121.76 121.33 1xtl s ALA 81 Ca 0.00 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.46 1xtl s ALA 81 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1xtl s ALA 81 CO 0.00 -1.23 0.35 0.45 0.00 0.00 0.00 175.76 175.32 1xtl s SER 82 N -2.35 6.26 -0.04 0.00 0.15 -1.26 -1.58 113.70 114.88 1xtl s SER 82 Ca 0.69 0.30 0.03 0.00 0.70 0.00 0.00 55.95 57.66 1xtl s SER 82 Cb -0.22 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1xtl s SER 82 CO 0.39 -0.13 -0.11 -0.76 1.20 0.00 0.00 173.24 173.83 1xtl s LEU 83 N 1.80 1.75 0.33 3.45 1.43 -0.36 -2.66 118.68 124.42 1xtl s LEU 83 Ca 0.15 -0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.72 1xtl s LEU 83 Cb -0.15 -0.70 -0.13 0.00 0.03 0.00 0.00 46.19 45.24 1xtl s LEU 83 CO 0.09 0.07 1.24 0.61 0.23 0.00 0.00 176.35 178.59 1xtl n GLY 84 N 3.43 0.43 2.93 -3.19 0.00 -0.17 -0.12 105.19 108.50 1xtl n GLY 84 Ca -0.20 0.31 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 1xtl n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xtl s PHE 85 N -1.09 -0.39 0.02 1.61 5.36 -1.26 -0.56 117.98 121.67 1xtl s PHE 85 Ca 0.56 0.76 -0.15 0.00 -0.96 0.00 0.00 56.93 57.15 1xtl s PHE 85 Cb -0.59 -0.13 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 1xtl s PHE 85 CO 0.62 -0.42 0.31 -1.01 -1.46 0.00 0.00 175.22 173.26 1xtl s HIS 86 N 2.39 -0.14 -0.24 10.12 3.76 -1.09 -3.15 115.29 126.94 1xtl s HIS 86 Ca 0.03 0.10 -0.21 0.00 -0.15 0.00 0.00 55.06 54.83 1xtl s HIS 86 Cb -0.13 0.10 -0.02 0.00 1.11 0.00 0.00 32.58 33.65 1xtl s HIS 86 CO -0.09 -0.47 0.66 0.42 -0.85 0.00 0.00 174.74 174.41 1xtl s ILE 87 N -2.10 4.97 0.27 0.60 1.01 0.74 -1.76 121.20 124.93 1xtl s ILE 87 Ca -0.08 1.22 0.06 0.00 0.00 0.00 0.00 60.65 61.84 1xtl s ILE 87 Cb -0.02 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1xtl s ILE 87 CO -0.00 0.03 0.39 -0.31 0.00 0.00 0.00 174.94 175.05 1xtl s TYR 88 N 2.40 3.33 -1.17 3.97 1.51 0.44 -0.13 117.35 127.70 1xtl s TYR 88 Ca 0.28 -0.09 0.27 0.00 -1.01 0.00 0.00 57.07 56.52 1xtl s TYR 88 Cb -0.16 -1.70 0.81 0.00 -0.11 0.00 0.00 41.96 40.80 1xtl s TYR 88 CO 0.09 0.30 1.61 -0.85 -1.11 0.00 0.00 175.55 175.59 1xtl n GLU 89 N -1.48 0.19 -3.98 -0.62 0.28 0.13 -2.28 120.64 112.88 1xtl n GLU 89 Ca -0.06 -0.09 -0.24 0.00 -0.16 0.00 0.00 57.16 56.61 1xtl n GLU 89 Cb 0.57 -1.50 -0.17 0.00 1.43 0.00 0.00 31.44 31.78 1xtl n GLU 89 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1xtl s LYS 90 N -2.87 1.09 -0.63 3.44 2.20 -1.25 -4.60 119.74 117.11 1xtl s LYS 90 Ca 0.16 -0.11 -0.14 0.00 -0.36 0.00 0.00 55.97 55.51 1xtl s LYS 90 Cb 0.18 -1.21 -0.12 0.00 -1.51 0.00 0.00 37.83 35.17 1xtl s LYS 90 CO 0.61 -0.21 1.82 0.41 -0.36 0.00 0.00 175.35 177.62 1xtl n GLY 91 N 4.72 2.41 2.99 5.54 0.00 -0.70 -3.74 105.19 116.43 1xtl n GLY 91 Ca -0.14 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1xtl n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtl s SER 92 N 4.64 0.39 -0.70 1.61 0.15 -1.26 -4.85 113.70 113.68 1xtl s SER 92 Ca 0.44 0.55 0.05 0.00 0.70 0.00 0.00 55.95 57.69 1xtl s SER 92 Cb 0.11 0.69 0.17 0.00 -1.71 0.00 0.00 66.02 65.29 1xtl s SER 92 CO 0.07 -0.24 0.51 0.00 1.20 0.00 0.00 173.24 174.77 1xtl s VAL 94 N -1.50 5.30 0.49 0.00 1.01 -0.96 -4.95 120.40 119.78 1xtl s VAL 94 Ca 0.26 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.63 1xtl s VAL 94 Cb -0.03 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1xtl s VAL 94 CO -0.16 0.33 0.77 -0.13 0.00 0.00 0.00 175.10 175.90 1xtl s ARG 95 N 0.97 3.35 0.05 2.72 0.52 -1.26 -1.44 118.95 123.86 1xtl s ARG 95 Ca 0.13 0.01 0.28 0.00 -0.52 0.00 0.00 55.73 55.64 1xtl s ARG 95 Cb -0.14 -2.41 1.06 0.00 0.52 0.00 0.00 34.95 33.98 1xtl s ARG 95 CO 0.05 -0.28 1.84 -0.35 0.02 0.00 0.00 175.30 176.58 1xtl n PRO 96 N -2.25 0.07 -0.04 3.54 -0.04 -1.26 -4.82 135.00 130.20 1xtl n PRO 96 Ca 0.01 0.05 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 1xtl n PRO 96 Cb 0.56 -1.58 -0.16 0.00 -0.04 0.00 0.00 33.50 32.29 1xtl n PRO 96 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xtl n ASP 97 N -1.70 0.08 -1.66 3.54 5.75 -1.24 -4.65 116.55 116.66 1xtl n ASP 97 Ca 0.06 0.03 -0.18 0.00 -0.01 0.00 0.00 54.79 54.69 1xtl n ASP 97 Cb 0.36 1.42 -0.07 0.00 -1.03 0.00 0.00 41.12 41.81 1xtl n ASP 97 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xtl n PHE 98 N -2.52 -0.27 0.33 2.11 3.72 -0.52 -4.46 117.46 115.85 1xtl n PHE 98 Ca -0.16 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.36 1xtl n PHE 98 Cb 0.83 -3.26 0.56 0.00 -0.94 0.00 0.00 39.48 36.67 1xtl n PHE 98 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1xtl h GLU 99 N 0.00 0.00 -3.37 -1.08 4.39 -1.90 -3.40 114.58 109.22 1xtl h GLU 99 Ca -0.39 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.64 1xtl h GLU 99 Cb 1.22 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 29.49 1xtl h GLU 99 CO 0.55 0.00 -0.42 -1.54 -1.16 0.00 0.00 179.01 176.43 1xtl s SER 100 N -4.38 5.05 0.32 1.42 1.04 -1.26 -3.82 113.70 112.06 1xtl s SER 100 Ca 0.02 -3.26 0.05 0.00 0.48 0.00 0.00 55.95 53.23 1xtl s SER 100 Cb 0.09 -1.77 0.05 0.00 0.10 0.00 0.00 66.02 64.49 1xtl s SER 100 CO 0.36 -0.24 0.38 0.00 0.98 0.00 0.00 173.24 174.72 1xtl n ALA 101 N 2.86 0.62 -2.53 5.32 0.00 -1.03 -2.27 120.51 123.48 1xtl n ALA 101 Ca 0.12 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1xtl n ALA 101 Cb 0.36 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1xtl n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtl n GLY 102 N 1.08 1.14 1.46 0.00 0.00 -1.25 -4.44 105.19 103.18 1xtl n GLY 102 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1xtl n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtl n GLY 103 N 5.00 -2.85 3.63 -0.02 0.00 -1.26 -4.88 105.19 104.81 1xtl n GLY 103 Ca 0.00 -0.39 -0.47 0.00 0.00 0.00 0.00 46.02 45.17 1xtl n GLY 103 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xtl n HIS 104 N 0.02 1.80 -1.79 1.61 8.25 -1.26 0.22 115.22 124.07 1xtl n HIS 104 Ca 0.00 0.53 -0.42 0.00 -0.26 0.00 0.00 57.72 57.57 1xtl n HIS 104 Cb 0.00 -2.39 -0.03 0.00 1.12 0.00 0.00 29.99 28.69 1xtl n HIS 104 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1xtl s PHE 105 N -0.02 1.97 -0.40 4.41 5.99 0.81 -4.60 117.98 126.14 1xtl s PHE 105 Ca 0.72 -0.03 0.10 0.00 0.00 0.00 0.00 56.93 57.72 1xtl s PHE 105 Cb -0.74 -4.11 0.35 0.00 0.00 0.00 0.00 43.02 38.52 1xtl s PHE 105 CO 0.50 -4.70 0.92 -1.71 -0.00 0.00 0.00 175.22 170.23 1xtl n ASN 106 N 6.30 -0.32 0.03 6.13 5.15 -1.26 -1.79 115.26 129.51 1xtl n ASN 106 Ca 0.18 -3.17 0.04 0.00 -0.60 0.00 0.00 54.58 51.03 1xtl n ASN 106 Cb 0.40 0.33 0.20 0.00 -0.53 0.00 0.00 39.78 40.18 1xtl n ASN 106 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xtl n PRO 107 N 0.21 0.03 -0.13 1.20 -0.04 -1.26 -1.78 135.00 133.23 1xtl n PRO 107 Ca 0.15 0.43 0.04 0.00 -0.04 0.00 0.00 63.50 64.09 1xtl n PRO 107 Cb 0.70 -1.58 0.12 0.00 -0.04 0.00 0.00 33.50 32.70 1xtl n PRO 107 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xtl n LEU 108 N -1.64 2.69 -3.62 1.53 4.32 -1.26 -5.03 117.00 113.99 1xtl n LEU 108 Ca 0.01 -1.97 -0.29 0.00 -0.02 0.00 0.00 56.01 53.74 1xtl n LEU 108 Cb 0.07 -0.17 0.01 0.00 -1.62 0.00 0.00 43.42 41.71 1xtl n LEU 108 CO 0.07 0.67 -0.25 -3.20 -1.22 0.00 0.00 177.39 173.45 1xtl n ASN 109 N 0.29 -4.77 -4.62 -1.43 5.15 -0.73 -5.00 115.26 104.15 1xtl n ASN 109 Ca 0.09 -0.66 -0.28 0.00 -0.60 0.00 0.00 54.58 53.13 1xtl n ASN 109 Cb 0.38 -1.51 -0.11 0.00 -0.53 0.00 0.00 39.78 38.01 1xtl n ASN 109 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xtl s LYS 110 N -3.94 1.96 0.76 1.20 -0.14 -1.26 -5.14 119.74 113.19 1xtl s LYS 110 Ca 0.13 -2.11 -0.11 0.00 -1.36 0.00 0.00 55.97 52.51 1xtl s LYS 110 Cb -0.01 -1.63 0.05 0.00 -1.68 0.00 0.00 37.83 34.55 1xtl s LYS 110 CO 0.85 -0.06 1.10 -1.21 -0.76 0.00 0.00 175.35 175.27 1xtl s GLU 111 N -3.71 2.38 0.28 1.68 2.02 -0.92 -4.72 118.70 115.70 1xtl s GLU 111 Ca 0.34 0.58 -0.29 0.00 0.02 0.00 0.00 54.97 55.62 1xtl s GLU 111 Cb 0.10 -1.96 -0.10 0.00 0.10 0.00 0.00 34.13 32.28 1xtl s GLU 111 CO 0.18 -1.40 1.09 -1.58 0.02 0.00 0.00 175.26 173.57 1xtl s HIS 112 N -3.23 3.59 0.00 1.61 5.65 -1.26 -2.88 115.29 118.77 1xtl s HIS 112 Ca 0.60 1.71 0.00 0.00 0.25 0.00 0.00 55.06 57.62 1xtl s HIS 112 Cb -0.13 -3.27 0.00 0.00 -1.18 0.00 0.00 32.58 27.99 1xtl s HIS 112 CO 0.53 -0.51 0.00 0.41 -0.65 0.00 0.00 174.74 174.52 1xtl n GLY 113 N 1.20 3.69 0.36 1.59 0.00 -1.26 -4.57 105.19 106.20 1xtl n GLY 113 Ca -0.01 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.11 1xtl n GLY 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xtl h PHE 114 N 0.00 1.10 -0.65 1.61 0.05 -1.88 -2.27 116.94 114.90 1xtl h PHE 114 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1xtl h PHE 114 Cb 0.00 -0.34 0.00 0.00 2.00 0.00 0.00 35.95 37.61 1xtl h PHE 114 CO 0.00 0.31 0.00 0.09 -0.18 0.00 0.00 178.31 178.53 1xtl n ASN 115 N -4.72 3.81 -4.71 2.17 3.02 -0.23 -4.89 115.26 109.71 1xtl n ASN 115 Ca 0.22 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.35 1xtl n ASN 115 Cb 0.50 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1xtl n ASN 115 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xtl s ASN 116 N -1.08 7.29 0.34 6.41 3.84 -0.85 -4.91 114.94 125.98 1xtl s ASN 116 Ca 0.46 1.76 0.25 0.00 0.21 0.00 0.00 52.86 55.54 1xtl s ASN 116 Cb 0.24 -2.57 1.23 0.00 -0.55 0.00 0.00 41.25 39.60 1xtl s ASN 116 CO 0.32 -0.32 1.75 1.55 -2.79 0.00 0.00 177.10 177.62 1xtl h PRO 117 N 6.79 0.00 -0.23 0.43 0.13 -1.90 -2.64 132.00 134.58 1xtl h PRO 117 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1xtl h PRO 117 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xtl h PRO 117 CO 0.77 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.21 1xtl n MET 118 N -2.36 2.12 -1.82 0.86 2.81 -1.26 -4.98 117.12 112.48 1xtl n MET 118 Ca -0.00 -1.96 -0.19 0.00 -1.81 0.00 0.00 57.70 53.73 1xtl n MET 118 Cb 0.11 -1.42 0.11 0.00 -0.71 0.00 0.00 33.22 31.32 1xtl n MET 118 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xtl n GLY 119 N 1.19 -0.10 3.39 3.03 0.00 -1.00 -2.17 105.19 109.53 1xtl n GLY 119 Ca 0.15 -1.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1xtl n GLY 119 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xtl s HIS 120 N -2.58 1.77 0.63 1.61 -3.43 -1.25 -4.83 115.29 107.21 1xtl s HIS 120 Ca 0.52 -0.89 -0.17 0.00 -0.80 0.00 0.00 55.06 53.71 1xtl s HIS 120 Cb -0.02 -1.07 -0.02 0.00 -1.43 0.00 0.00 32.58 30.05 1xtl s HIS 120 CO 0.35 0.04 1.16 -1.01 -2.00 0.00 0.00 174.74 173.28 1xtl s HIS 121 N -3.30 2.46 0.41 0.38 3.76 -1.14 -4.81 115.29 113.05 1xtl s HIS 121 Ca 0.31 1.55 0.16 0.00 -0.15 0.00 0.00 55.06 56.94 1xtl s HIS 121 Cb 0.06 -3.34 0.99 0.00 1.11 0.00 0.00 32.58 31.40 1xtl s HIS 121 CO 0.12 -1.99 1.95 0.00 -0.85 0.00 0.00 174.74 173.97 1xtl h ALA 122 N 0.47 1.50 -0.49 -1.40 0.00 -1.78 -2.56 119.26 115.01 1xtl h ALA 122 Ca -0.49 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1xtl h ALA 122 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xtl h ALA 122 CO 0.54 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.49 1xtl n GLY 123 N -0.75 1.45 3.62 0.00 0.00 -0.74 -4.64 105.19 104.14 1xtl n GLY 123 Ca -0.02 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1xtl n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xtl s ASP 124 N -0.95 6.57 0.25 1.61 1.11 -0.97 -0.18 116.67 124.11 1xtl s ASP 124 Ca 0.34 1.12 0.08 0.00 0.18 0.00 0.00 52.55 54.27 1xtl s ASP 124 Cb 0.18 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 1xtl s ASP 124 CO 0.21 -1.18 0.08 -0.76 1.18 0.00 0.00 175.17 174.71 1xtl s LEU 125 N 4.68 3.48 0.78 1.23 1.43 -1.19 -4.98 118.68 124.10 1xtl s LEU 125 Ca 0.58 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 1xtl s LEU 125 Cb -0.16 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.11 1xtl s LEU 125 CO 0.26 -0.01 1.14 -2.84 0.23 0.00 0.00 176.35 175.13 1xtl s PRO 126 N -3.68 2.01 0.65 1.29 0.02 -1.26 -4.59 135.00 129.44 1xtl s PRO 126 Ca 0.32 1.46 -0.18 0.00 0.02 0.00 0.00 61.00 62.61 1xtl s PRO 126 Cb -0.07 -1.85 -0.01 0.00 0.02 0.00 0.00 34.50 32.59 1xtl s PRO 126 CO 0.22 -1.87 1.30 -0.80 -0.33 0.00 0.00 177.00 175.52 1xtl s ASN 127 N -2.71 4.59 0.20 2.53 0.02 -1.26 -4.55 114.94 113.75 1xtl s ASN 127 Ca 0.67 2.64 -0.30 0.00 -1.02 0.00 0.00 52.86 54.85 1xtl s ASN 127 Cb -0.22 -2.62 -0.08 0.00 0.02 0.00 0.00 41.25 38.35 1xtl s ASN 127 CO 0.51 -2.02 1.01 -0.76 0.02 0.00 0.00 177.10 175.87 1xtl s LEU 128 N -4.36 4.56 -0.53 0.60 1.43 0.83 -4.82 118.68 116.39 1xtl s LEU 128 Ca 0.83 2.01 -0.01 0.00 -1.03 0.00 0.00 54.13 55.92 1xtl s LEU 128 Cb -0.38 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 42.37 1xtl s LEU 128 CO 0.40 -0.04 0.32 -1.61 0.23 0.00 0.00 176.35 175.65 1xtl s GLU 129 N -0.74 2.25 0.18 1.70 0.41 -1.26 -1.23 118.70 120.02 1xtl s GLU 129 Ca 0.45 -2.31 -0.30 0.00 -0.41 0.00 0.00 54.97 52.40 1xtl s GLU 129 Cb -0.27 -3.60 -0.08 0.00 -1.78 0.00 0.00 34.13 28.40 1xtl s GLU 129 CO 0.34 -1.12 1.24 0.08 -0.49 0.00 0.00 175.26 175.30 1xtl s VAL 130 N 0.29 3.46 1.14 2.63 1.01 -0.62 -4.85 120.40 123.47 1xtl s VAL 130 Ca 0.14 1.21 -0.19 0.00 0.00 0.00 0.00 61.98 63.15 1xtl s VAL 130 Cb -0.22 -3.77 0.27 0.00 0.00 0.00 0.00 36.38 32.66 1xtl s VAL 130 CO -0.03 0.18 1.18 -0.83 0.00 0.00 0.00 175.10 175.60 1xtl s GLY 131 N 0.25 1.65 0.52 4.51 0.00 0.95 -0.70 107.32 114.50 1xtl s GLY 131 Ca 0.54 -1.07 0.27 0.00 0.00 0.00 0.00 44.72 44.47 1xtl s GLY 131 CO 0.37 -0.20 2.05 0.00 0.00 0.00 0.00 173.10 175.32 1xtl h ALA 132 N -2.34 1.24 -0.67 3.20 0.00 -1.91 -1.48 119.26 117.31 1xtl h ALA 132 Ca -0.44 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1xtl h ALA 132 Cb 1.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1xtl h ALA 132 CO 0.33 0.16 0.11 0.22 0.00 0.00 0.00 179.25 180.07 1xtl h ASP 133 N 0.00 1.05 0.00 0.00 1.82 -1.96 -3.46 116.42 113.87 1xtl h ASP 133 Ca -0.00 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1xtl h ASP 133 Cb 0.37 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1xtl h ASP 133 CO 0.02 1.04 0.00 0.61 -1.61 0.00 0.00 179.24 179.29 1xtl n GLY 134 N -0.60 1.07 3.43 -0.78 0.00 -0.91 -4.72 105.19 102.67 1xtl n GLY 134 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1xtl n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtl s LYS 135 N -0.02 1.54 -0.05 1.61 1.02 -1.26 -1.22 119.74 121.36 1xtl s LYS 135 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.59 1xtl s LYS 135 Cb 0.00 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1xtl s LYS 135 CO 0.00 0.43 -0.01 0.54 -0.92 0.00 0.00 175.35 175.39 1xtl s VAL 136 N -1.37 0.34 -0.32 3.17 0.11 -0.96 -0.03 120.40 121.33 1xtl s VAL 136 Ca 0.18 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.27 1xtl s VAL 136 Cb -0.09 -0.44 0.13 0.00 -1.53 0.00 0.00 36.38 34.45 1xtl s VAL 136 CO 0.09 0.21 0.24 -0.62 -3.33 0.00 0.00 175.10 171.69 1xtl s ASP 137 N 1.31 2.44 0.23 3.54 -1.08 -1.25 -1.08 116.67 120.77 1xtl s ASP 137 Ca -0.05 -1.45 -0.05 0.00 -0.52 0.00 0.00 52.55 50.48 1xtl s ASP 137 Cb -0.13 0.04 -0.02 0.00 -1.46 0.00 0.00 42.92 41.34 1xtl s ASP 137 CO -0.02 -0.36 0.28 0.68 0.52 0.00 0.00 175.17 176.27 1xtl s VAL 138 N 1.76 0.00 -0.19 1.11 -7.23 -0.66 -5.02 120.40 110.17 1xtl s VAL 138 Ca 0.13 -1.77 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1xtl s VAL 138 Cb -0.17 -2.40 0.04 0.00 0.56 0.00 0.00 36.38 34.41 1xtl s VAL 138 CO -0.19 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.88 1xtl s ILE 139 N -4.04 1.53 0.06 -0.62 1.09 -1.26 -1.15 121.20 116.81 1xtl s ILE 139 Ca 0.33 -0.94 0.02 0.00 -1.10 0.00 0.00 60.65 58.95 1xtl s ILE 139 Cb 0.04 -1.63 -0.04 0.00 -1.06 0.00 0.00 42.46 39.76 1xtl s ILE 139 CO 0.12 0.15 0.12 -0.04 -0.10 0.00 0.00 174.94 175.19 1xtl s MET 140 N 1.44 3.09 -0.09 2.79 -1.94 -0.38 -4.88 119.30 119.33 1xtl s MET 140 Ca -0.01 -0.58 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 1xtl s MET 140 Cb -0.16 -2.85 -0.05 0.00 2.01 0.00 0.00 34.83 33.78 1xtl s MET 140 CO -0.08 0.59 0.35 1.21 -0.01 0.00 0.00 175.02 177.08 1xtl s ASN 141 N -2.36 6.60 -0.70 3.03 3.84 -1.26 0.80 114.94 124.89 1xtl s ASN 141 Ca 0.30 0.71 0.02 0.00 0.21 0.00 0.00 52.86 54.11 1xtl s ASN 141 Cb -0.12 -2.21 0.17 0.00 -0.55 0.00 0.00 41.25 38.53 1xtl s ASN 141 CO 0.23 0.19 0.51 0.00 -2.79 0.00 0.00 177.10 175.24 1xtl s ALA 142 N -0.17 3.78 0.40 1.71 0.00 0.67 -4.90 121.76 123.24 1xtl s ALA 142 Ca 0.20 -3.63 0.08 0.00 0.00 0.00 0.00 51.96 48.62 1xtl s ALA 142 Cb -0.14 -2.42 0.86 0.00 0.00 0.00 0.00 23.12 21.42 1xtl s ALA 142 CO 0.08 -2.10 2.02 -1.00 0.00 0.00 0.00 175.76 174.77 1xtl h PRO 143 N 6.06 0.56 -1.76 0.00 0.13 -1.83 -2.52 132.00 132.64 1xtl h PRO 143 Ca 0.07 -0.03 -0.73 0.00 -0.87 0.00 0.00 66.00 64.44 1xtl h PRO 143 Cb 0.83 -0.13 -0.29 0.00 0.13 0.00 0.00 31.00 31.54 1xtl h PRO 143 CO 0.74 0.37 0.81 -0.25 -0.23 0.00 0.00 178.00 179.45 1xtl n ASP 144 N -4.47 7.22 -4.05 1.44 8.00 -1.26 -3.37 116.55 120.06 1xtl n ASP 144 Ca 0.06 -3.82 -0.13 0.00 0.71 0.00 0.00 54.79 51.61 1xtl n ASP 144 Cb 0.15 -0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 40.18 1xtl n ASP 144 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xtl s THR 145 N -5.08 0.00 0.20 -3.53 -4.23 -1.20 -4.78 115.64 97.02 1xtl s THR 145 Ca 0.54 -1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 58.91 1xtl s THR 145 Cb 0.45 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.85 1xtl s THR 145 CO -0.32 0.00 0.60 -0.55 -0.54 0.00 0.00 174.62 173.81 1xtl s SER 146 N -3.18 -0.36 0.00 3.99 0.15 0.83 -4.35 113.70 110.77 1xtl s SER 146 Ca 0.38 -0.35 0.17 0.00 0.70 0.00 0.00 55.95 56.84 1xtl s SER 146 Cb 0.06 0.62 0.25 0.00 -1.71 0.00 0.00 66.02 65.23 1xtl s SER 146 CO 0.14 -1.09 1.16 0.18 1.20 0.00 0.00 173.24 174.82 1xtl n LEU 147 N -0.38 2.75 -4.66 3.45 4.77 -1.26 -1.51 117.00 120.16 1xtl n LEU 147 Ca -0.11 -1.35 -0.41 0.00 -0.03 0.00 0.00 56.01 54.11 1xtl n LEU 147 Cb 0.62 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1xtl n LEU 147 CO 0.15 0.57 0.53 -0.54 -1.33 0.00 0.00 177.39 176.77 1xtl s LYS 148 N -1.26 4.24 0.44 3.23 1.02 -1.26 -4.78 119.74 121.36 1xtl s LYS 148 Ca 0.25 0.85 -0.24 0.00 0.02 0.00 0.00 55.97 56.85 1xtl s LYS 148 Cb 0.15 -3.59 -0.08 0.00 -0.52 0.00 0.00 37.83 33.79 1xtl s LYS 148 CO 0.22 -0.34 1.25 0.21 -0.92 0.00 0.00 175.35 175.77 1xtl s LYS 149 N 2.23 3.80 0.00 1.68 2.20 -1.26 -2.93 119.74 125.45 1xtl s LYS 149 Ca 0.34 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 1xtl s LYS 149 Cb -0.16 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 1xtl s LYS 149 CO 0.11 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 1xtl n GLY 150 N 0.61 2.84 3.68 5.54 0.00 -1.26 -5.02 105.19 111.58 1xtl n GLY 150 Ca 0.06 -0.71 -0.44 0.00 0.00 0.00 0.00 46.02 44.93 1xtl n GLY 150 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xtl n SER 151 N 2.27 2.71 0.33 1.61 2.88 -1.15 -4.90 113.62 117.37 1xtl n SER 151 Ca 0.00 1.18 0.22 0.00 -1.33 0.00 0.00 58.87 58.93 1xtl n SER 151 Cb 0.00 -1.45 1.11 0.00 -0.75 0.00 0.00 64.21 63.12 1xtl n SER 151 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1xtl h LYS 152 N 3.29 0.00 -0.64 -1.46 -0.00 -1.95 -2.86 116.57 112.94 1xtl h LYS 152 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 1xtl h LYS 152 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.51 1xtl h LYS 152 CO 0.68 0.00 0.00 1.28 -0.00 0.00 0.00 179.45 181.42 1xtl n LEU 153 N -3.11 4.83 -4.71 7.07 4.77 -1.26 -4.73 117.00 119.86 1xtl n LEU 153 Ca -0.02 -2.44 -0.42 0.00 -0.03 0.00 0.00 56.01 53.10 1xtl n LEU 153 Cb 0.12 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1xtl n LEU 153 CO 0.22 0.70 0.72 0.21 -1.33 0.00 0.00 177.39 177.91 1xtl s ASN 154 N -0.81 7.33 -0.01 -1.43 2.47 -1.08 -0.12 114.94 121.29 1xtl s ASN 154 Ca 0.49 1.77 0.19 0.00 0.42 0.00 0.00 52.86 55.73 1xtl s ASN 154 Cb 0.34 -2.58 -0.26 0.00 -1.45 0.00 0.00 41.25 37.30 1xtl s ASN 154 CO 0.20 -0.27 0.61 2.30 -3.72 0.00 0.00 177.10 176.22 1xtl n ILE 155 N 3.65 0.00 -2.20 -5.21 -5.35 -0.57 -4.35 119.36 105.33 1xtl n ILE 155 Ca 0.06 -0.26 -0.39 0.00 -0.27 0.00 0.00 62.75 61.90 1xtl n ILE 155 Cb 0.50 0.51 0.03 0.00 -1.74 0.00 0.00 39.64 38.94 1xtl n ILE 155 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1xtl n LEU 156 N -1.82 7.14 0.00 7.28 0.00 -1.26 -3.29 117.00 125.05 1xtl n LEU 156 Ca -0.00 -5.05 0.00 0.00 0.00 0.00 0.00 56.01 50.96 1xtl n LEU 156 Cb 0.41 -1.03 0.00 0.00 0.00 0.00 0.00 43.42 42.80 1xtl n LEU 156 CO 0.40 1.90 0.00 -0.90 0.00 0.00 0.00 177.39 178.79 1xtl n ASP 157 N -0.39 0.00 -0.08 1.96 5.68 -1.26 -4.90 116.55 117.55 1xtl n ASP 157 Ca 0.50 -0.92 -0.05 0.00 -0.50 0.00 0.00 54.79 53.83 1xtl n ASP 157 Cb 0.28 0.00 0.16 0.00 -1.14 0.00 0.00 41.12 40.42 1xtl n ASP 157 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1xtl h GLU 158 N 0.00 0.73 0.00 0.11 4.57 -1.93 -1.86 114.58 116.20 1xtl h GLU 158 Ca 0.00 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 1xtl h GLU 158 Cb 0.00 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1xtl h GLU 158 CO 0.00 0.79 -0.35 0.22 -1.18 0.00 0.00 179.01 178.49 1xtl h ASP 159 N 0.67 0.00 -2.56 1.04 -0.00 -1.92 -3.37 116.42 110.28 1xtl h ASP 159 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1xtl h ASP 159 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.85 1xtl h ASP 159 CO 0.03 0.35 0.00 0.61 -0.00 0.00 0.00 179.24 180.23 1xtl n GLY 160 N -0.47 -1.53 3.30 -0.78 0.00 -0.70 -1.71 105.19 103.30 1xtl n GLY 160 Ca -0.02 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.67 1xtl n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xtl s SER 161 N -4.00 0.07 -0.03 1.61 0.01 -0.66 -3.21 113.70 107.50 1xtl s SER 161 Ca 0.00 -0.86 0.04 0.00 1.31 0.00 0.00 55.95 56.44 1xtl s SER 161 Cb 0.00 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.63 1xtl s SER 161 CO 0.00 -0.86 -0.15 0.00 0.41 0.00 0.00 173.24 172.65 1xtl s ALA 162 N -3.96 1.28 -0.23 1.44 0.00 -0.97 -0.97 121.76 118.35 1xtl s ALA 162 Ca 0.16 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 1xtl s ALA 162 Cb 0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1xtl s ALA 162 CO -0.01 0.27 0.14 -0.06 0.00 0.00 0.00 175.76 176.10 1xtl s PHE 163 N -0.11 3.32 -0.03 0.00 0.08 0.59 -0.42 117.98 121.41 1xtl s PHE 163 Ca 0.01 0.21 0.04 0.00 0.12 0.00 0.00 56.93 57.31 1xtl s PHE 163 Cb -0.08 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.12 1xtl s PHE 163 CO 0.01 0.10 -0.15 0.42 -0.10 0.00 0.00 175.22 175.49 1xtl s ILE 164 N 0.91 1.22 -0.11 0.64 1.01 -0.73 -0.89 121.20 123.26 1xtl s ILE 164 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 1xtl s ILE 164 Cb -0.13 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1xtl s ILE 164 CO 0.03 0.35 0.16 -0.63 0.00 0.00 0.00 174.94 174.86 1xtl s ILE 165 N -0.12 5.47 0.35 2.92 1.01 -0.51 -2.66 121.20 127.65 1xtl s ILE 165 Ca 0.01 0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.97 1xtl s ILE 165 Cb -0.08 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1xtl s ILE 165 CO 0.01 0.61 0.50 -1.00 0.00 0.00 0.00 174.94 175.05 1xtl s HIS 166 N -1.04 3.10 0.03 3.97 3.76 0.27 -0.93 115.29 124.45 1xtl s HIS 166 Ca 0.16 -0.19 0.30 0.00 -0.15 0.00 0.00 55.06 55.18 1xtl s HIS 166 Cb -0.12 -2.05 1.11 0.00 1.11 0.00 0.00 32.58 32.62 1xtl s HIS 166 CO 0.05 -0.08 1.89 1.05 -0.85 0.00 0.00 174.74 176.81 1xtl h GLU 167 N 0.82 0.00 -4.37 1.40 4.11 -1.05 -3.40 114.58 112.10 1xtl h GLU 167 Ca -0.45 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.63 1xtl h GLU 167 Cb 1.26 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 1xtl h GLU 167 CO 0.53 0.05 -0.27 -0.65 0.07 0.00 0.00 179.01 178.74 1xtl s GLN 168 N -3.59 1.90 0.46 1.06 -0.21 -1.01 -4.98 119.66 113.28 1xtl s GLN 168 Ca 0.02 -1.86 -0.21 0.00 0.02 0.00 0.00 55.36 53.33 1xtl s GLN 168 Cb 0.09 0.41 -0.09 0.00 1.00 0.00 0.00 33.01 34.41 1xtl s GLN 168 CO 0.58 -0.77 1.01 0.00 -2.12 0.00 0.00 175.29 174.00 1xtl s ALA 169 N -3.10 2.95 -0.04 6.09 0.00 -1.09 -1.00 121.76 125.58 1xtl s ALA 169 Ca 0.34 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1xtl s ALA 169 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1xtl s ALA 169 CO 0.23 -0.16 1.12 0.34 0.00 0.00 0.00 175.76 177.29 1xtl s ASP 170 N -1.99 7.16 0.00 0.00 -1.08 -1.26 -3.75 116.67 115.75 1xtl s ASP 170 Ca 0.64 1.76 0.20 0.00 -0.52 0.00 0.00 52.55 54.62 1xtl s ASP 170 Cb -0.15 -2.56 0.79 0.00 -1.46 0.00 0.00 42.92 39.54 1xtl s ASP 170 CO 0.19 -0.48 1.56 -0.90 0.52 0.00 0.00 175.17 176.06 1xtl n ASP 171 N 4.70 1.29 -0.95 -0.34 5.68 -0.49 -4.93 116.55 121.52 1xtl n ASP 171 Ca 0.09 -1.66 -0.12 0.00 -0.50 0.00 0.00 54.79 52.59 1xtl n ASP 171 Cb 0.48 -0.09 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 1xtl n ASP 171 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1xtl n TYR 172 N 0.08 0.00 0.00 2.11 0.53 -1.26 -4.70 117.16 113.92 1xtl n TYR 172 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.03 1xtl n TYR 172 Cb 0.27 -2.42 0.00 0.00 -1.03 0.00 0.00 39.34 36.15 1xtl n TYR 172 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 1xtl n LEU 173 N -1.40 0.00 -4.74 7.72 7.94 -1.26 -1.07 117.00 124.18 1xtl n LEU 173 Ca -0.12 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.37 1xtl n LEU 173 Cb 0.47 0.10 -0.05 0.00 0.53 0.00 0.00 43.42 44.46 1xtl n LEU 173 CO 0.19 -0.21 0.68 -0.89 -1.11 0.00 0.00 177.39 176.04 1xtl s THR 174 N -1.43 4.16 0.34 1.96 2.01 -1.26 -4.61 115.64 116.81 1xtl s THR 174 Ca 0.00 2.01 -0.26 0.00 0.31 0.00 0.00 61.69 63.75 1xtl s THR 174 Cb 0.00 -4.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 1xtl s THR 174 CO 0.00 0.41 1.00 0.20 -0.69 0.00 0.00 174.62 175.54 1xtl s ASN 175 N -0.68 7.15 0.00 3.53 0.01 -1.26 -0.64 114.94 123.05 1xtl s ASN 175 Ca 0.44 1.96 0.22 0.00 -0.71 0.00 0.00 52.86 54.77 1xtl s ASN 175 Cb -0.26 -2.59 0.40 0.00 0.41 0.00 0.00 41.25 39.21 1xtl s ASN 175 CO 0.32 -0.21 1.37 -0.81 -1.51 0.00 0.00 177.10 176.26 1xtl n PRO 176 N 0.47 2.45 -1.59 -0.60 -0.04 -1.26 -4.72 135.00 129.70 1xtl n PRO 176 Ca 0.02 -2.24 0.02 0.00 -0.04 0.00 0.00 63.50 61.26 1xtl n PRO 176 Cb 0.49 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1xtl n PRO 176 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xtl n SER 177 N 1.43 0.69 -0.48 3.54 3.41 -1.22 -4.61 113.62 116.37 1xtl n SER 177 Ca 0.18 -2.01 -0.06 0.00 -0.26 0.00 0.00 58.87 56.72 1xtl n SER 177 Cb 0.59 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1xtl n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtl n GLY 178 N 0.25 0.81 2.75 5.00 0.00 0.19 -1.90 105.19 112.29 1xtl n GLY 178 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 1xtl n GLY 178 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xtl n ASN 179 N -0.09 -5.95 0.00 1.61 2.85 -1.26 -1.40 115.26 111.02 1xtl n ASN 179 Ca -0.06 -0.18 0.14 0.00 -0.11 0.00 0.00 54.58 54.37 1xtl n ASN 179 Cb 0.32 -4.84 0.75 0.00 1.24 0.00 0.00 39.78 37.25 1xtl n ASN 179 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1xtl n SER 180 N -2.20 0.00 0.00 1.20 7.64 -0.80 -4.71 113.62 114.75 1xtl n SER 180 Ca -0.16 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1xtl n SER 180 Cb 0.64 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1xtl n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xtl n GLY 181 N 1.18 -0.98 3.76 0.23 0.00 -1.26 -2.41 105.19 105.70 1xtl n GLY 181 Ca 0.14 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1xtl n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtl s ALA 182 N -1.04 2.65 -0.33 4.61 0.00 -1.26 -4.66 121.76 121.72 1xtl s ALA 182 Ca 0.00 1.01 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 1xtl s ALA 182 Cb 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1xtl s ALA 182 CO 0.00 -1.07 0.67 1.03 0.00 0.00 0.00 175.76 176.39 1xtl s ARG 183 N -3.20 3.81 -0.02 0.00 0.52 -1.26 -1.10 118.95 117.69 1xtl s ARG 183 Ca 0.75 0.25 0.09 0.00 -0.52 0.00 0.00 55.73 56.29 1xtl s ARG 183 Cb -0.30 -3.77 -0.14 0.00 0.52 0.00 0.00 34.95 31.26 1xtl s ARG 183 CO 0.34 -0.68 0.18 0.44 0.02 0.00 0.00 175.30 175.61 1xtl n ILE 184 N 5.53 0.07 -4.18 1.52 -5.35 -0.11 -4.71 119.36 112.13 1xtl n ILE 184 Ca -0.00 -0.23 -0.16 0.00 -0.27 0.00 0.00 62.75 62.09 1xtl n ILE 184 Cb 0.49 0.16 -0.13 0.00 -1.74 0.00 0.00 39.64 38.42 1xtl n ILE 184 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xtl s VAL 185 N -2.59 0.75 -0.07 7.28 1.01 -1.18 -2.47 120.40 123.13 1xtl s VAL 185 Ca -0.04 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1xtl s VAL 185 Cb 0.06 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1xtl s VAL 185 CO 0.38 -0.16 0.19 0.00 0.00 0.00 0.00 175.10 175.51 1xtl s GLY 187 N 0.14 0.26 -0.16 0.00 0.00 -0.07 -2.30 107.32 105.20 1xtl s GLY 187 Ca -0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.59 1xtl s GLY 187 CO -0.00 0.19 0.13 0.00 0.00 0.00 0.00 173.10 173.41 1xtl s ALA 188 N 0.43 3.74 -0.31 3.20 0.00 -1.26 -0.30 121.76 127.26 1xtl s ALA 188 Ca -0.04 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 1xtl s ALA 188 Cb -0.08 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1xtl s ALA 188 CO -0.01 0.37 0.64 -1.17 0.00 0.00 0.00 175.76 175.59 1xtl s LEU 189 N -0.26 4.14 0.13 0.00 2.96 -0.15 -4.85 118.68 120.65 1xtl s LEU 189 Ca 0.11 0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 54.20 1xtl s LEU 189 Cb -0.12 -2.83 -0.07 0.00 0.50 0.00 0.00 46.19 43.67 1xtl s LEU 189 CO 0.01 -0.49 0.79 -0.76 -1.32 0.00 0.00 176.35 174.58 1xtl s LEU 190 N 2.63 4.54 0.00 -0.68 1.02 -1.26 -1.65 118.68 123.28 1xtl s LEU 190 Ca 0.26 1.61 0.20 0.00 0.02 0.00 0.00 54.13 56.21 1xtl s LEU 190 Cb -0.15 -3.31 0.16 0.00 0.02 0.00 0.00 46.19 42.91 1xtl s LEU 190 CO 0.12 0.13 1.13 0.61 0.02 0.00 0.00 176.35 178.36