#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 2.81 0.00 0.00 0.40 -1.26 -4.69 117.98 115.24 1xtl s PHE 41 Ca 0.00 1.18 0.00 0.00 -0.60 0.00 0.00 56.93 57.51 1xtl s PHE 41 Cb 0.00 -3.89 0.00 0.00 0.51 0.00 0.00 43.02 39.64 1xtl s PHE 41 CO 0.00 -2.67 0.00 0.41 0.70 0.00 0.00 175.22 173.66 1xtl n GLY 42 N 1.03 3.18 3.70 4.36 0.00 -0.74 -4.90 105.19 111.81 1xtl n GLY 42 Ca 0.02 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.91 -1.84 1.61 8.25 -1.26 -1.08 115.22 118.99 1xtl n HIS 43 Ca 0.00 0.82 -0.42 0.00 -0.26 0.00 0.00 57.72 57.86 1xtl n HIS 43 Cb 0.00 -4.33 -0.03 0.00 1.12 0.00 0.00 29.99 26.75 1xtl n HIS 43 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1xtl s HIS 44 N -3.67 2.79 -0.06 4.41 2.46 -1.26 -4.38 115.29 115.57 1xtl s HIS 44 Ca 0.02 0.40 0.04 0.00 0.47 0.00 0.00 55.06 55.99 1xtl s HIS 44 Cb -0.01 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 1xtl s HIS 44 CO 0.82 -3.96 -0.17 0.14 -2.47 0.00 0.00 174.74 169.09 1xtl s VAL 45 N 1.62 1.48 -0.15 0.89 -7.23 -0.22 -5.00 120.40 111.79 1xtl s VAL 45 Ca 0.74 -0.71 -0.26 0.00 -1.81 0.00 0.00 61.98 59.93 1xtl s VAL 45 Cb -0.45 -1.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 1xtl s VAL 45 CO 0.32 0.43 0.88 -1.58 -0.31 0.00 0.00 175.10 174.84 1xtl s GLN 46 N 0.28 4.33 -0.17 4.82 0.74 -1.26 -2.17 119.66 126.22 1xtl s GLN 46 Ca -0.10 1.12 -0.27 0.00 0.05 0.00 0.00 55.36 56.15 1xtl s GLN 46 Cb -0.14 -3.56 -0.01 0.00 1.10 0.00 0.00 33.01 30.40 1xtl s GLN 46 CO 0.04 -0.32 0.93 -0.51 -0.55 0.00 0.00 175.29 174.88 1xtl s LEU 47 N 2.11 4.17 0.21 3.68 1.43 -0.72 -4.28 118.68 125.27 1xtl s LEU 47 Ca 0.41 1.30 0.11 0.00 -1.03 0.00 0.00 54.13 54.92 1xtl s LEU 47 Cb -0.17 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1xtl s LEU 47 CO 0.14 -0.49 -0.19 0.68 0.23 0.00 0.00 176.35 176.71 1xtl s VAL 48 N 2.44 2.59 0.21 -1.59 -7.23 -0.89 -0.66 120.40 115.28 1xtl s VAL 48 Ca 0.42 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1xtl s VAL 48 Cb -0.16 -2.28 0.04 0.00 0.56 0.00 0.00 36.38 34.54 1xtl s VAL 48 CO 0.12 -0.17 0.29 -0.46 -0.31 0.00 0.00 175.10 174.57 1xtl n ASN 49 N 0.04 0.35 0.13 4.85 0.23 -0.65 -1.31 115.26 118.90 1xtl n ASN 49 Ca -0.11 -1.31 0.02 0.00 -0.53 0.00 0.00 54.58 52.65 1xtl n ASN 49 Cb 0.57 -0.19 0.37 0.00 -2.08 0.00 0.00 39.78 38.44 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 0.20 -0.01 -3.83 3.08 -1.76 -1.95 114.38 110.11 1xtl h ARG 50 Ca -0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1xtl h ARG 50 Cb 0.35 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1xtl h ARG 50 CO 0.10 0.39 0.00 0.39 -1.07 0.00 0.00 179.97 179.78 1xtl n GLU 51 N -4.23 1.18 -0.40 0.04 4.71 -1.26 -4.27 120.64 116.41 1xtl n GLU 51 Ca -0.01 -0.27 0.00 0.00 -0.01 0.00 0.00 57.16 56.87 1xtl n GLU 51 Cb 0.31 -1.47 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 1.03 0.72 3.69 0.62 0.00 -0.73 -5.07 105.19 105.44 1xtl n GLY 52 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.60 4.34 -0.23 1.61 2.20 -1.26 -4.82 119.74 120.99 1xtl s LYS 53 Ca 0.00 1.71 -0.38 0.00 -0.36 0.00 0.00 55.97 56.94 1xtl s LYS 53 Cb 0.00 -3.56 -0.14 0.00 -1.51 0.00 0.00 37.83 32.62 1xtl s LYS 53 CO 0.00 -0.47 1.81 0.00 -0.36 0.00 0.00 175.35 176.33 1xtl n ALA 54 N 5.24 0.18 -2.11 3.13 0.00 -1.26 -1.64 120.51 124.05 1xtl n ALA 54 Ca 0.11 0.34 -0.00 0.00 0.00 0.00 0.00 53.44 53.89 1xtl n ALA 54 Cb 0.46 -2.32 0.10 0.00 0.00 0.00 0.00 19.45 17.69 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 4.87 1.47 0.00 0.00 0.24 0.17 -4.96 118.33 120.11 1xtl n VAL 55 Ca 0.26 -2.68 0.00 0.00 -2.04 0.00 0.00 64.34 59.88 1xtl n VAL 55 Cb 0.18 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 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 -0.49 0.28 3.66 7.63 0.00 -1.24 -2.02 105.19 113.01 1xtl n GLY 56 Ca 0.18 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 -0.30 0.01 1.61 -0.71 -0.78 -1.76 117.98 116.05 1xtl s PHE 57 Ca 0.00 -0.01 0.05 0.00 -1.04 0.00 0.00 56.93 55.93 1xtl s PHE 57 Cb 0.00 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.42 1xtl s PHE 57 CO 0.00 -0.96 -0.15 0.42 -1.34 0.00 0.00 175.22 173.19 1xtl s ILE 58 N -3.65 1.16 0.17 -4.49 1.01 -0.92 -0.81 121.20 113.67 1xtl s ILE 58 Ca 0.07 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1xtl s ILE 58 Cb -0.03 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1xtl s ILE 58 CO -0.02 0.21 -0.09 -1.61 0.00 0.00 0.00 174.94 173.43 1xtl s GLU 59 N -0.67 1.15 0.00 2.79 2.02 -0.27 -1.05 118.70 122.67 1xtl s GLU 59 Ca 0.04 -1.51 0.04 0.00 0.02 0.00 0.00 54.97 53.57 1xtl s GLU 59 Cb -0.07 -0.69 -0.01 0.00 0.10 0.00 0.00 34.13 33.46 1xtl s GLU 59 CO 0.00 0.06 -0.14 0.42 0.02 0.00 0.00 175.26 175.62 1xtl s ILE 60 N -3.30 1.12 -0.06 -1.63 1.01 -0.24 -0.63 121.20 117.48 1xtl s ILE 60 Ca 0.20 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1xtl s ILE 60 Cb 0.03 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.56 1xtl s ILE 60 CO 0.03 0.25 -0.10 -0.75 0.00 0.00 0.00 174.94 174.37 1xtl s LYS 61 N -0.50 1.49 -0.93 2.79 2.20 0.20 -1.80 119.74 123.20 1xtl s LYS 61 Ca 0.05 -0.33 -0.24 0.00 -0.36 0.00 0.00 55.97 55.08 1xtl s LYS 61 Cb -0.06 -1.29 -0.20 0.00 -1.51 0.00 0.00 37.83 34.78 1xtl s LYS 61 CO -0.00 -0.01 2.09 0.39 -0.36 0.00 0.00 175.35 177.45 1xtl n GLU 62 N 3.93 0.18 -1.42 4.03 1.02 -1.26 -0.94 120.64 126.17 1xtl n GLU 62 Ca -0.23 -1.33 -0.43 0.00 -0.02 0.00 0.00 57.16 55.15 1xtl n GLU 62 Cb 0.51 -3.56 -0.00 0.00 -0.02 0.00 0.00 31.44 28.37 1xtl n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xtl n SER 63 N 18.06 -1.15 -4.10 1.62 2.88 -0.44 -4.95 113.62 125.55 1xtl n SER 63 Ca 0.39 0.96 -0.33 0.00 -1.33 0.00 0.00 58.87 58.57 1xtl n SER 63 Cb 0.45 -1.05 -0.15 0.00 -0.75 0.00 0.00 64.21 62.71 1xtl n SER 63 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xtl s ASP 64 N -0.93 4.32 0.14 -3.46 1.01 -1.26 -4.60 116.67 111.88 1xtl s ASP 64 Ca 0.62 -1.25 0.00 0.00 0.71 0.00 0.00 52.55 52.63 1xtl s ASP 64 Cb -0.68 -1.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1xtl s ASP 64 CO 0.59 -0.17 0.02 -1.81 0.21 0.00 0.00 175.17 174.01 1xtl s ASP 65 N 1.16 0.72 0.00 0.27 1.01 -1.26 -5.13 116.67 113.44 1xtl s ASP 65 Ca -0.06 -1.17 0.00 0.00 0.71 0.00 0.00 52.55 52.03 1xtl s ASP 65 Cb -0.19 0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.95 1xtl s ASP 65 CO -0.06 -0.65 0.00 -1.84 0.21 0.00 0.00 175.17 172.84 1xtl n GLU 66 N -0.14 3.01 0.00 8.23 0.00 -1.26 -5.12 120.64 125.37 1xtl n GLU 66 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.09 1xtl n GLU 66 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.07 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 0.34 3.11 -1.84 0.00 -1.25 -4.34 105.19 106.22 1xtl n GLY 67 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 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 2.02 -0.11 0.99 1.43 -0.95 -1.33 118.68 120.74 1xtl s LEU 68 Ca 0.00 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1xtl s LEU 68 Cb 0.00 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.42 1xtl s LEU 68 CO 0.00 0.18 0.21 -1.81 0.23 0.00 0.00 176.35 175.15 1xtl s ASP 69 N -0.32 6.45 -0.28 2.29 1.01 -0.11 -0.09 116.67 125.62 1xtl s ASP 69 Ca 0.05 0.54 0.02 0.00 0.71 0.00 0.00 52.55 53.87 1xtl s ASP 69 Cb -0.06 -2.12 0.06 0.00 1.01 0.00 0.00 42.92 41.81 1xtl s ASP 69 CO -0.00 0.33 -0.07 -0.63 0.21 0.00 0.00 175.17 175.01 1xtl s ILE 70 N -0.72 2.38 -0.33 0.77 1.01 0.13 -0.63 121.20 123.82 1xtl s ILE 70 Ca 0.16 -1.64 -0.26 0.00 0.00 0.00 0.00 60.65 58.90 1xtl s ILE 70 Cb -0.13 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.93 1xtl s ILE 70 CO 0.05 -0.10 0.95 -2.28 0.00 0.00 0.00 174.94 173.56 1xtl s HIS 71 N 1.12 3.15 -0.11 3.97 5.65 0.20 -0.16 115.29 129.11 1xtl s HIS 71 Ca -0.06 0.96 0.03 0.00 0.25 0.00 0.00 55.06 56.24 1xtl s HIS 71 Cb -0.20 -3.54 -0.00 0.00 -1.18 0.00 0.00 32.58 27.66 1xtl s HIS 71 CO -0.04 -0.72 -0.21 -1.50 -0.65 0.00 0.00 174.74 171.61 1xtl s ILE 72 N 3.40 2.32 -0.28 0.89 2.07 0.66 -1.11 121.20 129.13 1xtl s ILE 72 Ca 0.39 -0.93 -0.04 0.00 -1.41 0.00 0.00 60.65 58.67 1xtl s ILE 72 Cb -0.13 -1.91 0.10 0.00 0.13 0.00 0.00 42.46 40.65 1xtl s ILE 72 CO 0.15 0.55 0.13 -0.55 -1.91 0.00 0.00 174.94 173.31 1xtl s SER 73 N 0.33 3.46 0.21 4.50 0.15 0.01 -1.67 113.70 120.68 1xtl s SER 73 Ca -0.17 -1.25 0.08 0.00 0.70 0.00 0.00 55.95 55.31 1xtl s SER 73 Cb -0.17 -0.34 -0.05 0.00 -1.71 0.00 0.00 66.02 63.75 1xtl s SER 73 CO 0.08 -0.43 -0.15 0.00 1.20 0.00 0.00 173.24 173.94 1xtl s ALA 74 N 2.10 2.03 0.23 5.45 0.00 -0.03 -1.86 121.76 129.69 1xtl s ALA 74 Ca 0.09 -1.67 0.03 0.00 0.00 0.00 0.00 51.96 50.41 1xtl s ALA 74 Cb -0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1xtl s ALA 74 CO -0.36 0.07 0.11 0.27 0.00 0.00 0.00 175.76 175.86 1xtl n ASN 75 N -0.39 0.67 -1.94 0.00 6.94 -0.86 -1.43 115.26 118.26 1xtl n ASN 75 Ca -0.08 -2.29 -0.15 0.00 -0.02 0.00 0.00 54.58 52.04 1xtl n ASN 75 Cb 0.60 0.72 0.01 0.00 -2.36 0.00 0.00 39.78 38.76 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 -1.88 -4.55 -4.54 0.53 7.64 -0.95 -4.87 113.62 105.00 1xtl n SER 76 Ca -0.01 -0.13 -0.24 0.00 1.01 0.00 0.00 58.87 59.49 1xtl n SER 76 Cb 0.36 -3.52 -0.09 0.00 -1.01 0.00 0.00 64.21 59.95 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 -4.47 2.79 -0.32 -3.43 1.43 -0.69 -5.07 118.68 108.91 1xtl s LEU 77 Ca 0.13 -0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 51.96 1xtl s LEU 77 Cb -0.06 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 1xtl s LEU 77 CO 0.16 -0.06 1.74 -0.60 0.23 0.00 0.00 176.35 177.83 1xtl s ARG 78 N -3.59 3.42 0.10 1.70 3.52 -1.26 -4.28 118.95 118.56 1xtl s ARG 78 Ca 0.32 1.42 -0.31 0.00 -0.13 0.00 0.00 55.73 57.03 1xtl s ARG 78 Cb -0.03 -4.16 -0.09 0.00 -1.56 0.00 0.00 34.95 29.11 1xtl s ARG 78 CO 0.17 -1.76 1.65 -2.14 -0.81 0.00 0.00 175.30 172.41 1xtl s PRO 79 N 5.47 4.19 0.00 5.12 0.02 -1.26 -2.03 135.00 146.50 1xtl s PRO 79 Ca 0.77 2.37 0.00 0.00 0.02 0.00 0.00 61.00 64.16 1xtl s PRO 79 Cb -0.22 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.83 1xtl s PRO 79 CO 0.33 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 1xtl n GLY 80 N 3.95 1.63 3.77 0.52 0.00 -0.84 -4.92 105.19 109.31 1xtl n GLY 80 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.75 2.91 -0.37 4.61 0.00 -0.86 -4.77 121.76 120.52 1xtl s ALA 81 Ca 0.00 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 52.63 1xtl s ALA 81 Cb 0.00 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1xtl s ALA 81 CO 0.00 -0.61 0.56 0.45 0.00 0.00 0.00 175.76 176.16 1xtl s SER 82 N -1.53 6.33 0.09 0.00 0.15 -1.26 -2.04 113.70 115.45 1xtl s SER 82 Ca 0.66 -0.09 0.08 0.00 0.70 0.00 0.00 55.95 57.29 1xtl s SER 82 Cb -0.26 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1xtl s SER 82 CO 0.31 -0.57 -0.21 -0.76 1.20 0.00 0.00 173.24 173.21 1xtl s LEU 83 N 2.53 2.29 0.36 3.45 1.43 -0.20 -2.05 118.68 126.49 1xtl s LEU 83 Ca 0.20 -0.67 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 1xtl s LEU 83 Cb -0.15 -0.88 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 1xtl s LEU 83 CO 0.15 0.06 1.11 -0.83 0.23 0.00 0.00 176.35 177.07 1xtl s GLY 84 N -1.83 2.90 -0.18 -3.19 0.00 -0.23 0.58 107.32 105.37 1xtl s GLY 84 Ca 0.06 0.87 -0.05 0.00 0.00 0.00 0.00 44.72 45.60 1xtl s GLY 84 CO 0.04 1.39 0.32 -0.12 0.00 0.00 0.00 173.10 174.73 1xtl s PHE 85 N -1.40 -0.58 0.03 1.90 5.36 -1.26 0.11 117.98 122.14 1xtl s PHE 85 Ca 0.53 1.02 -0.11 0.00 -0.96 0.00 0.00 56.93 57.40 1xtl s PHE 85 Cb -0.29 0.03 0.01 0.00 -0.34 0.00 0.00 43.02 42.44 1xtl s PHE 85 CO 0.36 -0.48 0.24 -1.01 -1.46 0.00 0.00 175.22 172.87 1xtl s HIS 86 N 2.49 -0.03 -0.22 10.12 3.76 -0.52 -3.17 115.29 127.71 1xtl s HIS 86 Ca 0.03 -0.11 -0.16 0.00 -0.15 0.00 0.00 55.06 54.67 1xtl s HIS 86 Cb -0.13 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.55 1xtl s HIS 86 CO -0.11 -0.44 0.41 0.42 -0.85 0.00 0.00 174.74 174.17 1xtl s ILE 87 N -2.30 5.17 0.15 0.60 1.01 -0.25 -1.65 121.20 123.93 1xtl s ILE 87 Ca -0.07 0.71 0.03 0.00 0.00 0.00 0.00 60.65 61.32 1xtl s ILE 87 Cb -0.02 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1xtl s ILE 87 CO -0.02 0.21 0.21 -0.31 0.00 0.00 0.00 174.94 175.03 1xtl s TYR 88 N 1.61 3.34 -0.74 3.97 1.51 -0.51 -0.00 117.35 126.53 1xtl s TYR 88 Ca 0.19 0.07 0.25 0.00 -1.01 0.00 0.00 57.07 56.57 1xtl s TYR 88 Cb -0.15 -1.61 0.63 0.00 -0.11 0.00 0.00 41.96 40.72 1xtl s TYR 88 CO 0.09 0.52 1.57 -0.85 -1.11 0.00 0.00 175.55 175.77 1xtl n GLU 89 N -0.37 0.23 -4.53 -0.62 0.28 0.38 -2.03 120.64 113.98 1xtl n GLU 89 Ca -0.07 0.12 -0.29 0.00 -0.16 0.00 0.00 57.16 56.76 1xtl n GLU 89 Cb 0.54 -1.70 -0.17 0.00 1.43 0.00 0.00 31.44 31.54 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 -3.11 2.27 -0.54 3.44 2.20 -1.23 -4.61 119.74 118.16 1xtl s LYS 90 Ca 0.09 -0.59 -0.23 0.00 -0.36 0.00 0.00 55.97 54.89 1xtl s LYS 90 Cb 0.14 -1.90 -0.21 0.00 -1.51 0.00 0.00 37.83 34.35 1xtl s LYS 90 CO 0.65 -0.04 1.81 0.41 -0.36 0.00 0.00 175.35 177.83 1xtl n GLY 91 N 4.11 2.00 3.14 5.54 0.00 -0.63 -3.45 105.19 115.90 1xtl n GLY 91 Ca -0.19 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 5.47 0.04 -0.73 1.61 0.15 -1.26 -4.77 113.70 114.21 1xtl s SER 92 Ca 0.58 0.77 0.04 0.00 0.70 0.00 0.00 55.95 58.04 1xtl s SER 92 Cb 0.14 1.06 0.22 0.00 -1.71 0.00 0.00 66.02 65.73 1xtl s SER 92 CO 0.17 -0.24 0.70 0.00 1.20 0.00 0.00 173.24 175.07 1xtl s VAL 94 N -1.97 5.09 0.37 0.00 1.01 -0.65 -4.94 120.40 119.31 1xtl s VAL 94 Ca 0.32 0.98 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 1xtl s VAL 94 Cb 0.04 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1xtl s VAL 94 CO -0.08 0.15 0.68 -0.13 0.00 0.00 0.00 175.10 175.72 1xtl s ARG 95 N 1.78 3.65 0.22 2.72 0.52 -1.26 -0.59 118.95 125.99 1xtl s ARG 95 Ca 0.24 0.18 0.25 0.00 -0.52 0.00 0.00 55.73 55.88 1xtl s ARG 95 Cb -0.15 -2.50 0.90 0.00 0.52 0.00 0.00 34.95 33.71 1xtl s ARG 95 CO 0.10 0.04 1.75 -0.35 0.02 0.00 0.00 175.30 176.85 1xtl n PRO 96 N -1.40 0.22 -0.03 3.54 -0.04 -1.26 -4.85 135.00 131.18 1xtl n PRO 96 Ca -0.00 0.30 0.04 0.00 -0.04 0.00 0.00 63.50 63.80 1xtl n PRO 96 Cb 0.54 -1.82 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.21 1.30 -1.74 3.54 5.68 -1.19 -4.58 116.55 117.34 1xtl n ASP 97 Ca 0.04 0.00 -0.18 0.00 -0.50 0.00 0.00 54.79 54.15 1xtl n ASP 97 Cb 0.33 1.48 -0.04 0.00 -1.14 0.00 0.00 41.12 41.75 1xtl n ASP 97 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1xtl n PHE 98 N -2.21 -0.42 0.22 2.11 3.72 0.24 -4.51 117.46 116.61 1xtl n PHE 98 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1xtl n PHE 98 Cb 0.59 -3.36 0.27 0.00 -0.94 0.00 0.00 39.48 36.04 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 -3.09 -1.08 4.39 -1.90 -3.40 114.58 109.50 1xtl h GLU 99 Ca -0.40 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.67 1xtl h GLU 99 Cb 1.26 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.49 1xtl h GLU 99 CO 0.53 0.06 -0.59 -1.54 -1.16 0.00 0.00 179.01 176.32 1xtl s SER 100 N -6.13 4.67 0.18 1.42 1.04 -1.26 -3.98 113.70 109.64 1xtl s SER 100 Ca 0.05 -3.75 0.01 0.00 0.48 0.00 0.00 55.95 52.74 1xtl s SER 100 Cb 0.06 -1.60 0.01 0.00 0.10 0.00 0.00 66.02 64.60 1xtl s SER 100 CO 0.65 -0.10 0.09 0.00 0.98 0.00 0.00 173.24 174.86 1xtl n ALA 101 N 2.11 0.24 -2.24 5.32 0.00 -0.97 -1.64 120.51 123.34 1xtl n ALA 101 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1xtl n ALA 101 Cb 0.35 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 2.81 0.75 1.46 0.00 0.00 -1.26 -4.52 105.19 104.43 1xtl n GLY 102 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.06 3.67 -0.02 0.00 -1.26 -4.89 105.19 105.62 1xtl n GLY 103 Ca 0.00 -0.22 -0.46 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.16 2.20 -1.64 1.61 8.25 -1.26 -0.47 115.22 123.76 1xtl n HIS 104 Ca 0.00 0.34 -0.46 0.00 -0.26 0.00 0.00 57.72 57.34 1xtl n HIS 104 Cb 0.00 -2.50 -0.04 0.00 1.12 0.00 0.00 29.99 28.56 1xtl n HIS 104 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xtl n PHE 105 N 2.84 2.24 -3.13 4.41 -0.00 1.00 -4.65 117.46 120.16 1xtl n PHE 105 Ca 0.15 -0.09 -0.18 0.00 -0.00 0.00 0.00 57.45 57.33 1xtl n PHE 105 Cb 0.29 -2.70 -0.02 0.00 -0.00 0.00 0.00 39.48 37.05 1xtl n PHE 105 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1xtl n ASN 106 N 8.09 0.31 0.19 -2.13 5.15 -1.26 -1.66 115.26 123.95 1xtl n ASN 106 Ca 0.25 -3.04 0.14 0.00 -0.60 0.00 0.00 54.58 51.33 1xtl n ASN 106 Cb 0.34 -0.30 0.65 0.00 -0.53 0.00 0.00 39.78 39.94 1xtl n ASN 106 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xtl h PRO 107 N 3.17 0.00 -0.44 1.20 0.13 -1.92 -3.01 132.00 131.13 1xtl h PRO 107 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1xtl h PRO 107 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1xtl h PRO 107 CO 0.45 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.50 1xtl n LEU 108 N -2.49 3.47 -3.86 1.56 4.32 -1.26 -5.02 117.00 113.73 1xtl n LEU 108 Ca 0.00 -2.21 -0.38 0.00 -0.02 0.00 0.00 56.01 53.40 1xtl n LEU 108 Cb 0.16 -0.36 0.03 0.00 -1.62 0.00 0.00 43.42 41.63 1xtl n LEU 108 CO 0.18 0.78 -0.11 -3.20 -1.22 0.00 0.00 177.39 173.81 1xtl n ASN 109 N 0.63 -4.82 -4.70 -1.43 5.15 -1.14 -5.00 115.26 103.95 1xtl n ASN 109 Ca 0.17 -1.14 -0.23 0.00 -0.60 0.00 0.00 54.58 52.77 1xtl n ASN 109 Cb 0.59 -2.63 -0.07 0.00 -0.53 0.00 0.00 39.78 37.14 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 -6.62 2.35 0.66 1.20 1.02 -1.26 -5.08 119.74 112.01 1xtl s LYS 110 Ca 0.49 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.88 1xtl s LYS 110 Cb -0.22 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1xtl s LYS 110 CO 0.91 0.22 1.05 -1.21 -0.92 0.00 0.00 175.35 175.40 1xtl s GLU 111 N -3.78 3.25 0.37 1.68 2.02 -0.89 -4.71 118.70 116.65 1xtl s GLU 111 Ca 0.35 0.80 -0.28 0.00 0.02 0.00 0.00 54.97 55.86 1xtl s GLU 111 Cb -0.04 -2.04 -0.10 0.00 0.10 0.00 0.00 34.13 32.05 1xtl s GLU 111 CO 0.22 -0.84 1.36 -1.58 0.02 0.00 0.00 175.26 174.45 1xtl s HIS 112 N -3.14 2.83 0.00 1.61 5.65 -1.26 -1.78 115.29 119.19 1xtl s HIS 112 Ca 0.57 1.33 0.00 0.00 0.25 0.00 0.00 55.06 57.21 1xtl s HIS 112 Cb -0.12 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.49 1xtl s HIS 112 CO 0.54 -2.30 0.00 0.41 -0.65 0.00 0.00 174.74 172.74 1xtl n GLY 113 N 0.66 3.07 0.37 1.59 0.00 -1.26 -4.47 105.19 105.14 1xtl n GLY 113 Ca 0.01 -1.07 0.15 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 0.95 -0.02 1.61 0.05 -1.92 -2.98 116.94 114.64 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 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 37.66 1xtl h PHE 114 CO 0.00 0.21 -0.38 0.09 -0.18 0.00 0.00 178.31 178.05 1xtl n ASN 115 N -4.71 1.97 -4.72 2.17 3.02 -0.76 -4.85 115.26 107.39 1xtl n ASN 115 Ca 0.23 -1.49 -0.42 0.00 -0.03 0.00 0.00 54.58 52.87 1xtl n ASN 115 Cb 0.62 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 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 -2.20 6.93 0.20 6.41 3.84 -1.12 -4.94 114.94 124.06 1xtl s ASN 116 Ca 0.17 2.22 0.24 0.00 0.21 0.00 0.00 52.86 55.71 1xtl s ASN 116 Cb 0.16 -2.59 0.91 0.00 -0.55 0.00 0.00 41.25 39.18 1xtl s ASN 116 CO 0.48 -0.56 1.74 -0.81 -2.79 0.00 0.00 177.10 175.15 1xtl n PRO 117 N 3.73 0.19 -0.38 0.43 -0.04 -1.26 -2.21 135.00 135.46 1xtl n PRO 117 Ca 0.10 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.89 1xtl n PRO 117 Cb 0.44 -1.79 0.19 0.00 -0.04 0.00 0.00 33.50 32.30 1xtl n PRO 117 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1xtl n MET 118 N -2.13 2.67 -2.38 0.54 2.81 -1.26 -4.98 117.12 112.37 1xtl n MET 118 Ca 0.04 -1.47 -0.39 0.00 -1.81 0.00 0.00 57.70 54.06 1xtl n MET 118 Cb 0.31 -1.75 -0.03 0.00 -0.71 0.00 0.00 33.22 31.04 1xtl n MET 118 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1xtl s GLY 119 N -0.51 2.98 0.00 3.03 0.00 -0.94 -2.09 107.32 109.79 1xtl s GLY 119 Ca 0.26 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.93 1xtl s GLY 119 CO 0.09 1.52 0.00 -2.39 0.00 0.00 0.00 173.10 172.32 1xtl n HIS 120 N 0.73 0.00 -1.73 1.90 1.44 -0.74 -4.76 115.22 112.06 1xtl n HIS 120 Ca 0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.30 1xtl n HIS 120 Cb 0.45 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.55 1xtl n HIS 120 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1xtl n HIS 121 N -0.44 2.67 -0.09 -1.40 8.25 -1.21 -4.73 115.22 118.28 1xtl n HIS 121 Ca 0.00 0.43 0.13 0.00 -0.26 0.00 0.00 57.72 58.02 1xtl n HIS 121 Cb 0.00 -2.50 0.51 0.00 1.12 0.00 0.00 29.99 29.12 1xtl n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xtl h ALA 122 N 3.37 2.06 -0.39 -1.41 0.00 -1.78 -1.51 119.26 119.60 1xtl h ALA 122 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xtl h ALA 122 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xtl h ALA 122 CO 0.68 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1xtl n GLY 123 N -1.53 1.90 3.65 0.00 0.00 -0.67 -4.68 105.19 103.87 1xtl n GLY 123 Ca 0.10 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.68 6.91 0.36 1.61 1.01 -0.57 -1.09 116.67 124.22 1xtl s ASP 124 Ca 0.32 1.40 0.09 0.00 0.71 0.00 0.00 52.55 55.07 1xtl s ASP 124 Cb 0.22 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.54 1xtl s ASP 124 CO 0.14 -0.84 -0.04 -0.76 0.21 0.00 0.00 175.17 173.89 1xtl s LEU 125 N 3.66 2.84 0.67 1.23 1.43 -1.19 -4.99 118.68 122.33 1xtl s LEU 125 Ca 0.51 -1.16 -0.17 0.00 -1.03 0.00 0.00 54.13 52.28 1xtl s LEU 125 Cb -0.17 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1xtl s LEU 125 CO 0.15 -0.26 1.25 -2.84 0.23 0.00 0.00 176.35 174.87 1xtl s PRO 126 N -3.67 2.47 0.50 1.29 0.02 -1.26 -4.58 135.00 129.77 1xtl s PRO 126 Ca 0.34 1.91 -0.23 0.00 0.02 0.00 0.00 61.00 63.04 1xtl s PRO 126 Cb 0.03 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.63 1xtl s PRO 126 CO 0.18 -1.62 1.33 -0.80 -0.33 0.00 0.00 177.00 175.76 1xtl s ASN 127 N -1.66 5.65 0.19 2.53 0.02 -1.26 -4.59 114.94 115.83 1xtl s ASN 127 Ca 0.79 2.71 -0.30 0.00 -1.02 0.00 0.00 52.86 55.04 1xtl s ASN 127 Cb -0.33 -2.63 -0.08 0.00 0.02 0.00 0.00 41.25 38.22 1xtl s ASN 127 CO 0.40 -1.31 1.13 -0.76 0.02 0.00 0.00 177.10 176.58 1xtl s LEU 128 N -3.16 4.49 -0.59 0.60 1.43 0.20 -4.74 118.68 116.90 1xtl s LEU 128 Ca 0.67 2.16 -0.06 0.00 -1.03 0.00 0.00 54.13 55.87 1xtl s LEU 128 Cb -0.39 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.38 1xtl s LEU 128 CO 0.47 -0.26 0.43 -1.61 0.23 0.00 0.00 176.35 175.62 1xtl s GLU 129 N -0.49 2.60 0.29 1.70 0.41 -1.26 -1.03 118.70 120.92 1xtl s GLU 129 Ca 0.50 -2.25 -0.29 0.00 -0.41 0.00 0.00 54.97 52.51 1xtl s GLU 129 Cb -0.31 -3.85 -0.10 0.00 -1.78 0.00 0.00 34.13 28.09 1xtl s GLU 129 CO 0.36 -1.18 1.41 0.08 -0.49 0.00 0.00 175.26 175.44 1xtl s VAL 130 N 0.45 2.59 0.87 2.63 1.01 -0.87 -4.84 120.40 122.25 1xtl s VAL 130 Ca 0.13 0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 1xtl s VAL 130 Cb -0.20 -3.34 0.19 0.00 0.00 0.00 0.00 36.38 33.02 1xtl s VAL 130 CO -0.04 0.10 1.19 0.61 0.00 0.00 0.00 175.10 176.96 1xtl n GLY 131 N 1.55 -0.44 0.33 4.51 0.00 0.27 -1.99 105.19 109.43 1xtl n GLY 131 Ca 0.04 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.26 1xtl n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtl h ALA 132 N -1.20 1.85 -0.41 4.61 0.00 -1.91 -0.36 119.26 121.83 1xtl h ALA 132 Ca -0.39 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1xtl h ALA 132 Cb 1.22 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1xtl h ALA 132 CO 0.34 0.08 -0.16 -0.25 0.00 0.00 0.00 179.25 179.26 1xtl n ASP 133 N -4.48 -0.26 0.00 0.00 8.00 -1.26 -4.82 116.55 113.73 1xtl n ASP 133 Ca 0.06 0.72 0.00 0.00 0.71 0.00 0.00 54.79 56.28 1xtl n ASP 133 Cb 0.20 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1xtl n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xtl n GLY 134 N -1.20 0.73 3.45 0.44 0.00 -0.15 -4.79 105.19 103.67 1xtl n GLY 134 Ca 0.04 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.66 1.93 -0.01 1.61 1.02 -1.26 -1.71 119.74 120.66 1xtl s LYS 135 Ca 0.00 -1.07 0.04 0.00 0.02 0.00 0.00 55.97 54.96 1xtl s LYS 135 Cb 0.00 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1xtl s LYS 135 CO 0.00 0.52 -0.13 0.54 -0.92 0.00 0.00 175.35 175.36 1xtl s VAL 136 N -0.98 1.03 -0.39 3.17 0.11 -0.51 -0.56 120.40 122.26 1xtl s VAL 136 Ca 0.15 -0.55 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1xtl s VAL 136 Cb -0.10 -0.86 0.16 0.00 -1.53 0.00 0.00 36.38 34.04 1xtl s VAL 136 CO 0.06 0.29 0.40 -0.62 -3.33 0.00 0.00 175.10 171.91 1xtl s ASP 137 N -0.25 0.97 0.27 3.54 -1.08 -1.25 -0.85 116.67 118.02 1xtl s ASP 137 Ca 0.04 -1.75 0.02 0.00 -0.52 0.00 0.00 52.55 50.34 1xtl s ASP 137 Cb -0.06 0.57 -0.05 0.00 -1.46 0.00 0.00 42.92 41.93 1xtl s ASP 137 CO -0.00 -0.23 0.11 0.68 0.52 0.00 0.00 175.17 176.25 1xtl s VAL 138 N 1.24 0.51 -0.19 1.11 -7.23 -0.67 -5.00 120.40 110.16 1xtl s VAL 138 Ca 0.19 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1xtl s VAL 138 Cb -0.12 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.23 1xtl s VAL 138 CO -0.04 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.96 1xtl s ILE 139 N -3.71 2.36 0.01 -0.62 1.09 -1.26 -0.25 121.20 118.82 1xtl s ILE 139 Ca 0.37 -0.85 -0.01 0.00 -1.10 0.00 0.00 60.65 59.06 1xtl s ILE 139 Cb 0.07 -2.02 -0.04 0.00 -1.06 0.00 0.00 42.46 39.41 1xtl s ILE 139 CO 0.14 0.51 0.16 -0.04 -0.10 0.00 0.00 174.94 175.61 1xtl s MET 140 N 1.33 3.32 -0.09 2.79 -1.94 0.77 -4.88 119.30 120.61 1xtl s MET 140 Ca 0.05 -0.40 -0.11 0.00 -1.71 0.00 0.00 55.69 53.52 1xtl s MET 140 Cb -0.13 -3.01 -0.05 0.00 2.01 0.00 0.00 34.83 33.65 1xtl s MET 140 CO -0.11 0.65 0.27 1.21 -0.01 0.00 0.00 175.02 177.03 1xtl s ASN 141 N -2.02 6.54 -0.60 3.03 3.84 -1.26 0.23 114.94 124.70 1xtl s ASN 141 Ca 0.28 0.64 0.04 0.00 0.21 0.00 0.00 52.86 54.03 1xtl s ASN 141 Cb -0.13 -2.16 0.15 0.00 -0.55 0.00 0.00 41.25 38.57 1xtl s ASN 141 CO 0.19 0.30 0.39 0.00 -2.79 0.00 0.00 177.10 175.19 1xtl s ALA 142 N -0.64 3.29 0.42 1.71 0.00 0.87 -4.94 121.76 122.48 1xtl s ALA 142 Ca 0.18 -3.43 0.40 0.00 0.00 0.00 0.00 51.96 49.10 1xtl s ALA 142 Cb -0.14 -2.09 2.04 0.00 0.00 0.00 0.00 23.12 22.94 1xtl s ALA 142 CO 0.07 -2.06 2.20 -1.00 0.00 0.00 0.00 175.76 174.97 1xtl h PRO 143 N 5.86 0.00 -0.46 0.00 0.13 -1.82 -2.50 132.00 133.21 1xtl h PRO 143 Ca 0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.95 1xtl h PRO 143 Cb 0.82 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.80 1xtl h PRO 143 CO 0.65 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 178.14 1xtl n ASP 144 N -2.97 2.94 -3.77 1.44 8.00 -1.26 -3.78 116.55 117.15 1xtl n ASP 144 Ca -0.02 -3.78 -0.18 0.00 0.71 0.00 0.00 54.79 51.51 1xtl n ASP 144 Cb 0.12 -0.65 -0.09 0.00 -0.02 0.00 0.00 41.12 40.48 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 -3.42 0.15 -0.14 -3.53 -4.23 -1.21 -4.82 115.64 98.43 1xtl s THR 145 Ca 0.47 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.64 1xtl s THR 145 Cb 0.42 -2.49 0.13 0.00 1.34 0.00 0.00 72.50 71.90 1xtl s THR 145 CO 0.01 0.00 1.18 -0.55 -0.54 0.00 0.00 174.62 174.72 1xtl s SER 146 N -3.36 -0.15 0.00 3.99 0.15 -0.45 -4.25 113.70 109.63 1xtl s SER 146 Ca 0.37 -0.02 0.16 0.00 0.70 0.00 0.00 55.95 57.16 1xtl s SER 146 Cb 0.04 0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.58 1xtl s SER 146 CO 0.21 -0.29 0.91 0.18 1.20 0.00 0.00 173.24 175.44 1xtl n LEU 147 N -0.16 1.90 -4.68 3.45 4.77 -1.26 -1.66 117.00 119.37 1xtl n LEU 147 Ca -0.02 -0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 1xtl n LEU 147 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1xtl n LEU 147 CO 0.10 0.35 1.12 -0.54 -1.33 0.00 0.00 177.39 177.09 1xtl s LYS 148 N -1.66 4.26 0.45 3.23 1.02 -1.26 -4.77 119.74 121.00 1xtl s LYS 148 Ca 0.15 1.87 0.31 0.00 0.02 0.00 0.00 55.97 58.32 1xtl s LYS 148 Cb 0.13 -3.70 1.34 0.00 -0.52 0.00 0.00 37.83 35.09 1xtl s LYS 148 CO 0.32 -0.64 1.91 -0.22 -0.92 0.00 0.00 175.35 175.80 1xtl h LYS 149 N 8.17 0.00 -0.25 1.68 3.64 -1.95 -1.20 116.57 126.66 1xtl h LYS 149 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1xtl h LYS 149 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1xtl h LYS 149 CO 0.93 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.52 1xtl n GLY 150 N -0.21 0.61 3.78 5.01 0.00 -1.26 -4.97 105.19 108.15 1xtl n GLY 150 Ca 0.01 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 1xtl n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtl s SER 151 N -1.42 6.09 0.08 1.61 0.15 -0.45 -4.92 113.70 114.83 1xtl s SER 151 Ca 0.32 0.31 0.17 0.00 0.70 0.00 0.00 55.95 57.45 1xtl s SER 151 Cb 0.17 -1.99 0.70 0.00 -1.71 0.00 0.00 66.02 63.20 1xtl s SER 151 CO 0.25 0.31 1.52 1.17 1.20 0.00 0.00 173.24 177.69 1xtl n LYS 152 N 2.61 0.06 -0.22 5.44 4.81 -1.26 -2.41 118.16 127.19 1xtl n LYS 152 Ca -0.18 0.32 0.12 0.00 -0.87 0.00 0.00 58.31 57.70 1xtl n LYS 152 Cb 0.54 -1.62 0.24 0.00 0.02 0.00 0.00 35.03 34.21 1xtl n LYS 152 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1xtl n LEU 153 N -1.73 3.45 -4.70 3.14 4.77 -1.26 -4.74 117.00 115.93 1xtl n LEU 153 Ca 0.03 -1.53 -0.42 0.00 -0.03 0.00 0.00 56.01 54.05 1xtl n LEU 153 Cb 0.18 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1xtl n LEU 153 CO 0.15 0.77 1.03 0.21 -1.33 0.00 0.00 177.39 178.21 1xtl s ASN 154 N -1.40 6.91 0.00 -1.43 2.47 -1.01 -1.35 114.94 119.14 1xtl s ASN 154 Ca 0.40 2.14 0.22 0.00 0.42 0.00 0.00 52.86 56.04 1xtl s ASN 154 Cb 0.23 -2.57 -0.22 0.00 -1.45 0.00 0.00 41.25 37.24 1xtl s ASN 154 CO 0.32 -0.62 0.73 2.30 -3.72 0.00 0.00 177.10 176.11 1xtl n ILE 155 N 4.22 0.06 -1.87 -5.21 -5.35 -0.66 -4.23 119.36 106.32 1xtl n ILE 155 Ca 0.11 -0.31 -0.37 0.00 -0.27 0.00 0.00 62.75 61.91 1xtl n ILE 155 Cb 0.44 0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.68 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 -2.00 7.31 0.00 7.28 -0.00 -1.26 -2.76 117.00 125.57 1xtl n LEU 156 Ca -0.00 -4.70 -0.13 0.00 -0.00 0.00 0.00 56.01 51.17 1xtl n LEU 156 Cb 0.47 -1.11 0.07 0.00 -0.00 0.00 0.00 43.42 42.85 1xtl n LEU 156 CO 0.44 1.77 0.34 -0.90 -0.00 0.00 0.00 177.39 179.04 1xtl n ASP 157 N -0.18 0.65 -0.31 1.96 5.68 -1.26 -4.87 116.55 118.22 1xtl n ASP 157 Ca 0.53 -1.58 0.14 0.00 -0.50 0.00 0.00 54.79 53.38 1xtl n ASP 157 Cb 0.30 -0.39 0.32 0.00 -1.14 0.00 0.00 41.12 40.20 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 0.41 0.09 0.11 4.57 -1.95 -1.44 114.58 116.38 1xtl h GLU 158 Ca -0.19 -0.02 -0.28 0.00 -1.18 0.00 0.00 59.36 57.69 1xtl h GLU 158 Cb 0.68 -0.09 0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1xtl h GLU 158 CO 0.19 0.27 -1.17 0.22 -1.18 0.00 0.00 179.01 177.35 1xtl h ASP 159 N 0.43 0.71 -4.15 1.04 -0.00 -1.93 -3.34 116.42 109.18 1xtl h ASP 159 Ca 0.57 -0.65 0.00 0.00 -0.00 0.00 0.00 57.03 56.95 1xtl h ASP 159 Cb 1.08 -0.22 0.00 0.00 -0.00 0.00 0.00 39.33 40.19 1xtl h ASP 159 CO -0.52 1.47 0.00 0.61 -0.00 0.00 0.00 179.24 180.80 1xtl n GLY 160 N 1.29 -2.58 3.22 -0.78 0.00 -0.54 -1.81 105.19 103.98 1xtl n GLY 160 Ca -0.11 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.73 1.60 -0.04 1.61 0.01 -1.06 -1.60 113.70 112.49 1xtl s SER 161 Ca 0.00 -0.95 0.06 0.00 1.31 0.00 0.00 55.95 56.36 1xtl s SER 161 Cb 0.00 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1xtl s SER 161 CO 0.00 -0.33 -0.21 0.00 0.41 0.00 0.00 173.24 173.11 1xtl s ALA 162 N -3.11 2.38 -0.20 1.44 0.00 -0.86 -0.23 121.76 121.19 1xtl s ALA 162 Ca 0.13 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.93 1xtl s ALA 162 Cb 0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1xtl s ALA 162 CO -0.00 0.52 0.18 -0.06 0.00 0.00 0.00 175.76 176.40 1xtl s PHE 163 N -0.59 3.41 -0.03 0.00 0.08 -0.27 -1.42 117.98 119.15 1xtl s PHE 163 Ca 0.09 0.39 0.04 0.00 0.12 0.00 0.00 56.93 57.56 1xtl s PHE 163 Cb -0.11 -2.24 -0.00 0.00 -0.57 0.00 0.00 43.02 40.10 1xtl s PHE 163 CO 0.00 0.23 -0.14 0.42 -0.10 0.00 0.00 175.22 175.63 1xtl s ILE 164 N 0.53 1.20 -0.13 0.64 1.01 -0.66 -2.19 121.20 121.60 1xtl s ILE 164 Ca 0.10 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 1xtl s ILE 164 Cb -0.12 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1xtl s ILE 164 CO 0.01 0.35 0.31 -0.63 0.00 0.00 0.00 174.94 174.97 1xtl s ILE 165 N 0.01 5.28 0.27 2.92 1.01 -0.73 -1.44 121.20 128.51 1xtl s ILE 165 Ca -0.02 0.58 -0.10 0.00 0.00 0.00 0.00 60.65 61.11 1xtl s ILE 165 Cb -0.10 -3.63 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1xtl s ILE 165 CO 0.01 0.44 0.60 -1.00 0.00 0.00 0.00 174.94 174.99 1xtl s HIS 166 N 0.09 3.43 -0.10 3.97 3.76 0.31 -1.44 115.29 125.31 1xtl s HIS 166 Ca 0.18 0.91 0.25 0.00 -0.15 0.00 0.00 55.06 56.25 1xtl s HIS 166 Cb -0.14 -2.30 1.34 0.00 1.11 0.00 0.00 32.58 32.60 1xtl s HIS 166 CO 0.06 0.20 1.77 1.05 -0.85 0.00 0.00 174.74 176.96 1xtl h GLU 167 N 2.28 0.00 -3.68 1.40 4.11 -0.81 -3.36 114.58 114.51 1xtl h GLU 167 Ca -0.47 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 1xtl h GLU 167 Cb 1.17 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 1xtl h GLU 167 CO 0.68 0.00 -0.16 -1.14 0.07 0.00 0.00 179.01 178.46 1xtl s GLN 168 N -3.62 1.42 0.43 1.06 0.74 -0.92 -4.98 119.66 113.80 1xtl s GLN 168 Ca -0.02 -1.19 -0.23 0.00 0.05 0.00 0.00 55.36 53.97 1xtl s GLN 168 Cb 0.07 0.45 -0.08 0.00 1.10 0.00 0.00 33.01 34.55 1xtl s GLN 168 CO 0.25 -0.58 1.10 0.00 -0.55 0.00 0.00 175.29 175.51 1xtl s ALA 169 N -3.99 3.03 0.02 1.58 0.00 -0.87 -1.07 121.76 120.46 1xtl s ALA 169 Ca 0.20 0.79 -0.28 0.00 0.00 0.00 0.00 51.96 52.68 1xtl s ALA 169 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1xtl s ALA 169 CO 0.05 -0.40 0.87 0.34 0.00 0.00 0.00 175.76 176.62 1xtl s ASP 170 N -1.50 7.28 0.00 0.00 -1.08 -1.26 -3.93 116.67 116.18 1xtl s ASP 170 Ca 0.61 1.54 0.18 0.00 -0.52 0.00 0.00 52.55 54.36 1xtl s ASP 170 Cb -0.24 -2.52 0.56 0.00 -1.46 0.00 0.00 42.92 39.26 1xtl s ASP 170 CO 0.30 -0.13 1.43 -0.90 0.52 0.00 0.00 175.17 176.39 1xtl n ASP 171 N 3.41 2.07 -1.58 -0.34 5.68 0.92 -4.92 116.55 121.80 1xtl n ASP 171 Ca 0.02 -1.86 -0.18 0.00 -0.50 0.00 0.00 54.79 52.27 1xtl n ASP 171 Cb 0.51 -0.19 -0.07 0.00 -1.14 0.00 0.00 41.12 40.22 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 0.60 -0.21 0.00 2.11 0.53 -1.26 -4.74 117.16 114.19 1xtl n TYR 172 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 1xtl n TYR 172 Cb 0.37 -3.16 0.00 0.00 -1.03 0.00 0.00 39.34 35.51 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 -2.23 0.25 -4.79 7.72 7.94 -1.26 -1.82 117.00 122.80 1xtl n LEU 173 Ca -0.18 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.33 1xtl n LEU 173 Cb 0.59 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.49 1xtl n LEU 173 CO 0.27 -0.16 0.22 -0.89 -1.11 0.00 0.00 177.39 175.71 1xtl s THR 174 N -1.58 4.93 0.38 1.96 2.01 -1.26 -4.51 115.64 117.56 1xtl s THR 174 Ca 0.00 1.08 -0.25 0.00 0.31 0.00 0.00 61.69 62.83 1xtl s THR 174 Cb 0.00 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1xtl s THR 174 CO 0.00 0.49 1.03 0.20 -0.69 0.00 0.00 174.62 175.65 1xtl s ASN 175 N -0.60 6.92 0.07 3.53 0.01 -1.26 -0.42 114.94 123.19 1xtl s ASN 175 Ca 0.28 2.01 0.23 0.00 -0.71 0.00 0.00 52.86 54.66 1xtl s ASN 175 Cb -0.18 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 1xtl s ASN 175 CO 0.16 -0.38 0.93 -0.81 -1.51 0.00 0.00 177.10 175.49 1xtl n PRO 176 N 0.13 0.43 -0.60 -0.60 -0.04 -1.26 -4.72 135.00 128.34 1xtl n PRO 176 Ca 0.04 -0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 1xtl n PRO 176 Cb 0.49 -1.64 0.19 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.18 1.72 -1.73 3.54 3.41 -1.25 -4.56 113.62 112.57 1xtl n SER 177 Ca 0.00 -3.74 -0.17 0.00 -0.26 0.00 0.00 58.87 54.71 1xtl n SER 177 Cb 0.49 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.06 0.32 3.18 5.00 0.00 0.44 -2.60 105.19 110.47 1xtl n GLY 178 Ca 0.18 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.09 -6.13 -0.12 1.61 2.85 -1.26 -0.05 115.26 111.06 1xtl n ASN 179 Ca -0.19 -0.37 0.13 0.00 -0.11 0.00 0.00 54.58 54.04 1xtl n ASN 179 Cb 0.62 -4.88 0.44 0.00 1.24 0.00 0.00 39.78 37.20 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 -2.58 0.63 0.00 1.20 7.64 -1.07 -4.70 113.62 114.74 1xtl n SER 180 Ca -0.07 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.29 1xtl n SER 180 Cb 0.60 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 1.37 -1.54 3.62 0.23 0.00 -1.26 -2.16 105.19 105.45 1xtl n GLY 181 Ca 0.11 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 1xtl n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtl n ALA 182 N 1.81 0.28 -2.56 4.61 0.00 -1.26 -4.65 120.51 118.73 1xtl n ALA 182 Ca 0.00 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1xtl n ALA 182 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 1xtl n ALA 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xtl s ARG 183 N -2.33 3.49 -0.02 0.00 0.52 -1.26 -0.49 118.95 118.86 1xtl s ARG 183 Ca 0.68 0.08 0.14 0.00 -0.52 0.00 0.00 55.73 56.11 1xtl s ARG 183 Cb -0.49 -3.93 -0.22 0.00 0.52 0.00 0.00 34.95 30.83 1xtl s ARG 183 CO 0.53 -1.21 0.33 0.44 0.02 0.00 0.00 175.30 175.41 1xtl n ILE 184 N 6.35 0.00 -4.01 1.52 -5.35 -0.52 -4.70 119.36 112.65 1xtl n ILE 184 Ca 0.05 -0.32 -0.15 0.00 -0.27 0.00 0.00 62.75 62.06 1xtl n ILE 184 Cb 0.48 0.21 -0.15 0.00 -1.74 0.00 0.00 39.64 38.45 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 -2.97 0.22 -0.00 7.28 1.01 -1.15 -2.69 120.40 122.09 1xtl s VAL 185 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1xtl s VAL 185 Cb 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.27 1xtl s VAL 185 CO 0.60 0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.78 1xtl s GLY 187 N 0.19 0.37 -0.14 0.00 0.00 -0.93 -2.09 107.32 104.72 1xtl s GLY 187 Ca -0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.42 1xtl s GLY 187 CO -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 173.10 173.15 1xtl s ALA 188 N 0.18 3.62 -0.30 3.20 0.00 -1.26 -1.11 121.76 126.08 1xtl s ALA 188 Ca -0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1xtl s ALA 188 Cb -0.07 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1xtl s ALA 188 CO -0.00 0.44 0.20 -1.17 0.00 0.00 0.00 175.76 175.23 1xtl s LEU 189 N -0.47 4.18 0.43 0.00 2.96 0.68 -4.83 118.68 121.63 1xtl s LEU 189 Ca 0.11 -0.23 -0.22 0.00 -0.22 0.00 0.00 54.13 53.56 1xtl s LEU 189 Cb -0.12 -2.10 -0.10 0.00 0.50 0.00 0.00 46.19 44.37 1xtl s LEU 189 CO 0.02 -0.13 0.99 -0.76 -1.32 0.00 0.00 176.35 175.15 1xtl s LEU 190 N 1.72 4.00 0.00 -0.68 1.43 -1.26 -2.58 118.68 121.32 1xtl s LEU 190 Ca 0.06 1.84 0.07 0.00 -1.03 0.00 0.00 54.13 55.08 1xtl s LEU 190 Cb -0.17 -4.41 0.05 0.00 0.03 0.00 0.00 46.19 41.70 1xtl s LEU 190 CO 0.10 -0.47 0.72 0.61 0.23 0.00 0.00 176.35 177.54