#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 3.75 0.00 0.00 0.40 -1.26 -4.57 117.98 116.30 1xtl s PHE 41 Ca 0.00 1.78 0.00 0.00 -0.60 0.00 0.00 56.93 58.11 1xtl s PHE 41 Cb 0.00 -3.16 0.00 0.00 0.51 0.00 0.00 43.02 40.37 1xtl s PHE 41 CO 0.00 -0.14 0.00 0.41 0.70 0.00 0.00 175.22 176.19 1xtl n GLY 42 N 1.45 2.73 3.44 4.36 0.00 -0.67 -4.89 105.19 111.62 1xtl n GLY 42 Ca -0.01 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.19 -1.69 1.61 8.25 -1.26 -0.02 115.22 119.92 1xtl n HIS 43 Ca 0.00 0.91 -0.44 0.00 -0.26 0.00 0.00 57.72 57.93 1xtl n HIS 43 Cb 0.00 -4.85 -0.04 0.00 1.12 0.00 0.00 29.99 26.22 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 -4.03 2.54 -4.83 4.41 -0.00 -1.26 -4.50 115.22 107.56 1xtl n HIS 44 Ca -0.26 0.02 -0.32 0.00 0.46 0.00 0.00 57.72 57.62 1xtl n HIS 44 Cb 0.66 -2.66 -0.17 0.00 -0.12 0.00 0.00 29.99 27.70 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 1.98 1.99 0.40 3.57 -7.23 0.31 -4.97 120.40 116.46 1xtl s VAL 45 Ca 0.80 -0.95 -0.24 0.00 -1.81 0.00 0.00 61.98 59.79 1xtl s VAL 45 Cb -0.56 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.54 1xtl s VAL 45 CO 0.37 0.54 1.02 -1.58 -0.31 0.00 0.00 175.10 175.14 1xtl s GLN 46 N 0.67 4.21 -0.11 4.82 0.74 -1.26 -1.38 119.66 127.34 1xtl s GLN 46 Ca -0.11 1.43 -0.02 0.00 0.05 0.00 0.00 55.36 56.70 1xtl s GLN 46 Cb -0.16 -2.50 -0.03 0.00 1.10 0.00 0.00 33.01 31.41 1xtl s GLN 46 CO 0.02 -0.09 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.13 1xtl s LEU 47 N -2.68 3.34 0.08 3.68 1.43 -0.41 -4.22 118.68 119.89 1xtl s LEU 47 Ca 0.58 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.71 1xtl s LEU 47 Cb -0.19 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1xtl s LEU 47 CO 0.25 0.28 -0.14 0.68 0.23 0.00 0.00 176.35 177.65 1xtl s VAL 48 N -0.30 1.13 0.62 -1.59 -7.23 -0.89 0.46 120.40 112.59 1xtl s VAL 48 Ca 0.05 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1xtl s VAL 48 Cb -0.12 -1.13 0.12 0.00 0.56 0.00 0.00 36.38 35.81 1xtl s VAL 48 CO 0.02 -0.26 0.85 -0.46 -0.31 0.00 0.00 175.10 174.95 1xtl n ASN 49 N 1.18 1.33 0.33 4.85 0.23 -0.52 -1.85 115.26 120.81 1xtl n ASN 49 Ca -0.20 -2.08 0.15 0.00 -0.53 0.00 0.00 54.58 51.92 1xtl n ASN 49 Cb 0.54 -0.53 0.80 0.00 -2.08 0.00 0.00 39.78 38.52 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 0.00 -0.49 -3.83 3.08 -1.79 0.52 114.38 111.87 1xtl h ARG 50 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1xtl h ARG 50 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1xtl h ARG 50 CO 0.32 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.61 1xtl n GLU 51 N -2.91 2.30 -1.07 0.04 -0.58 -1.26 -4.64 120.64 112.51 1xtl n GLU 51 Ca -0.02 -2.00 -0.02 0.00 -0.42 0.00 0.00 57.16 54.70 1xtl n GLU 51 Cb 0.40 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.80 1xtl n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xtl n GLY 52 N 1.40 0.51 3.72 0.62 0.00 0.18 -5.00 105.19 106.62 1xtl n GLY 52 Ca 0.19 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.37 4.45 -0.08 1.61 2.20 -1.26 -4.77 119.74 120.52 1xtl s LYS 53 Ca 0.00 1.77 -0.36 0.00 -0.36 0.00 0.00 55.97 57.02 1xtl s LYS 53 Cb 0.00 -3.33 -0.14 0.00 -1.51 0.00 0.00 37.83 32.85 1xtl s LYS 53 CO 0.00 -0.22 1.72 0.00 -0.36 0.00 0.00 175.35 176.49 1xtl n ALA 54 N 3.70 0.39 -1.47 3.13 0.00 -1.26 -1.43 120.51 123.57 1xtl n ALA 54 Ca 0.08 0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.95 1xtl n ALA 54 Cb 0.46 -2.34 0.08 0.00 0.00 0.00 0.00 19.45 17.66 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 4.33 1.09 0.00 0.00 0.24 0.17 -4.90 118.33 119.26 1xtl n VAL 55 Ca 0.22 -1.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.20 1xtl n VAL 55 Cb 0.23 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 -0.83 0.71 3.84 7.63 0.00 -1.25 -1.27 105.19 114.02 1xtl n GLY 56 Ca 0.09 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.40 -0.12 -0.02 1.61 -0.71 -0.86 -1.29 117.98 115.19 1xtl s PHE 57 Ca 0.00 -0.36 -0.01 0.00 -1.04 0.00 0.00 56.93 55.51 1xtl s PHE 57 Cb 0.00 0.70 0.01 0.00 -1.21 0.00 0.00 43.02 42.52 1xtl s PHE 57 CO 0.00 -1.27 0.05 0.42 -1.34 0.00 0.00 175.22 173.08 1xtl s ILE 58 N -3.72 -0.01 0.22 -4.49 1.01 -0.48 -1.78 121.20 111.95 1xtl s ILE 58 Ca 0.12 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1xtl s ILE 58 Cb -0.06 -0.08 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 1xtl s ILE 58 CO 0.08 0.01 -0.13 -1.61 0.00 0.00 0.00 174.94 173.29 1xtl s GLU 59 N 0.19 1.36 -0.03 2.79 2.02 -0.52 -0.53 118.70 123.98 1xtl s GLU 59 Ca -0.01 -1.62 0.02 0.00 0.02 0.00 0.00 54.97 53.38 1xtl s GLU 59 Cb -0.02 -1.11 0.01 0.00 0.10 0.00 0.00 34.13 33.11 1xtl s GLU 59 CO -0.01 0.16 -0.09 0.42 0.02 0.00 0.00 175.26 175.76 1xtl s ILE 60 N -2.99 0.83 -0.17 -1.63 1.01 0.97 -1.36 121.20 117.85 1xtl s ILE 60 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.51 1xtl s ILE 60 Cb 0.00 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.72 1xtl s ILE 60 CO 0.08 0.26 -0.13 -0.75 0.00 0.00 0.00 174.94 174.40 1xtl s LYS 61 N 0.32 3.26 -0.49 2.79 2.20 -0.63 -1.66 119.74 125.52 1xtl s LYS 61 Ca -0.05 -0.72 -0.26 0.00 -0.36 0.00 0.00 55.97 54.58 1xtl s LYS 61 Cb -0.10 -2.70 -0.06 0.00 -1.51 0.00 0.00 37.83 33.46 1xtl s LYS 61 CO 0.01 -0.02 2.29 -1.21 -0.36 0.00 0.00 175.35 176.07 1xtl s GLU 62 N 0.92 2.26 0.46 4.03 2.02 -1.26 -1.67 118.70 125.47 1xtl s GLU 62 Ca -0.03 1.30 -0.24 0.00 0.02 0.00 0.00 54.97 56.03 1xtl s GLU 62 Cb -0.15 -4.53 -0.07 0.00 0.10 0.00 0.00 34.13 29.48 1xtl s GLU 62 CO -0.01 -3.10 1.30 0.45 0.02 0.00 0.00 175.26 173.92 1xtl s SER 63 N 11.18 5.94 -0.13 -0.19 0.15 0.02 -4.96 113.70 125.70 1xtl s SER 63 Ca 0.92 2.63 -0.00 0.00 0.70 0.00 0.00 55.95 60.20 1xtl s SER 63 Cb -0.17 -2.63 0.03 0.00 -1.71 0.00 0.00 66.02 61.54 1xtl s SER 63 CO 0.26 -1.10 -0.07 1.51 1.20 0.00 0.00 173.24 175.04 1xtl s ASP 64 N -0.92 2.38 0.04 5.45 1.47 -1.26 -4.61 116.67 119.22 1xtl s ASP 64 Ca 0.63 -0.41 0.02 0.00 1.18 0.00 0.00 52.55 53.97 1xtl s ASP 64 Cb -0.37 -0.86 -0.02 0.00 -0.34 0.00 0.00 42.92 41.33 1xtl s ASP 64 CO 0.46 -0.14 -0.08 -1.81 0.68 0.00 0.00 175.17 174.28 1xtl s ASP 65 N 1.69 0.84 0.00 2.11 1.11 -1.26 -5.12 116.67 116.04 1xtl s ASP 65 Ca 0.04 -0.51 0.00 0.00 0.18 0.00 0.00 52.55 52.26 1xtl s ASP 65 Cb -0.13 0.03 0.00 0.00 1.07 0.00 0.00 42.92 43.88 1xtl s ASP 65 CO -0.08 -0.18 0.00 -0.62 1.18 0.00 0.00 175.17 175.47 1xtl n GLU 66 N 1.59 2.57 0.00 8.23 1.02 -1.26 -5.10 120.64 127.69 1xtl n GLU 66 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1xtl n GLU 66 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.97 1xtl n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xtl n GLY 67 N 3.21 3.30 3.26 0.62 0.00 -1.18 -4.48 105.19 109.92 1xtl n GLY 67 Ca 0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 2.31 -0.13 0.99 1.43 -0.03 -0.80 118.68 122.45 1xtl s LEU 68 Ca 0.00 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.36 1xtl s LEU 68 Cb 0.00 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1xtl s LEU 68 CO 0.00 0.01 0.05 -1.81 0.23 0.00 0.00 176.35 174.83 1xtl s ASP 69 N -1.97 5.60 -0.25 2.29 -0.00 -0.67 -0.30 116.67 121.37 1xtl s ASP 69 Ca 0.05 0.18 0.00 0.00 -0.00 0.00 0.00 52.55 52.78 1xtl s ASP 69 Cb -0.09 -1.79 0.07 0.00 -0.00 0.00 0.00 42.92 41.11 1xtl s ASP 69 CO 0.04 0.30 0.00 -0.63 -0.00 0.00 0.00 175.17 174.88 1xtl s ILE 70 N -0.40 1.32 -0.34 0.77 1.01 0.42 -1.61 121.20 122.37 1xtl s ILE 70 Ca 0.09 -1.28 -0.28 0.00 0.00 0.00 0.00 60.65 59.19 1xtl s ILE 70 Cb -0.12 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1xtl s ILE 70 CO 0.02 -0.29 1.02 -2.28 0.00 0.00 0.00 174.94 173.41 1xtl s HIS 71 N 1.46 3.11 -0.13 3.97 5.65 -0.47 -0.93 115.29 127.95 1xtl s HIS 71 Ca -0.00 1.02 0.01 0.00 0.25 0.00 0.00 55.06 56.34 1xtl s HIS 71 Cb -0.18 -3.71 0.02 0.00 -1.18 0.00 0.00 32.58 27.53 1xtl s HIS 71 CO -0.10 -0.81 -0.14 -1.50 -0.65 0.00 0.00 174.74 171.54 1xtl s ILE 72 N 3.63 1.49 -0.33 0.89 2.07 -0.46 -1.43 121.20 127.05 1xtl s ILE 72 Ca 0.43 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 1xtl s ILE 72 Cb -0.12 -1.40 0.10 0.00 0.13 0.00 0.00 42.46 41.18 1xtl s ILE 72 CO 0.17 0.44 0.10 -0.55 -1.91 0.00 0.00 174.94 173.20 1xtl s SER 73 N 1.39 4.10 0.10 4.50 0.15 -0.74 -1.46 113.70 121.74 1xtl s SER 73 Ca 0.02 -1.80 0.06 0.00 0.70 0.00 0.00 55.95 54.94 1xtl s SER 73 Cb -0.13 -0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 63.16 1xtl s SER 73 CO -0.08 -0.40 -0.16 0.00 1.20 0.00 0.00 173.24 173.80 1xtl s ALA 74 N 1.41 1.44 0.18 5.45 0.00 0.65 -2.03 121.76 128.87 1xtl s ALA 74 Ca 0.11 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1xtl s ALA 74 Cb -0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1xtl s ALA 74 CO -0.21 0.19 0.06 0.27 0.00 0.00 0.00 175.76 176.07 1xtl n ASN 75 N 0.97 1.28 -1.91 0.00 6.94 -0.40 -0.09 115.26 122.04 1xtl n ASN 75 Ca -0.19 -1.95 -0.18 0.00 -0.02 0.00 0.00 54.58 52.24 1xtl n ASN 75 Cb 0.55 0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 38.36 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 -1.73 -5.23 -4.90 0.53 7.64 -1.19 -4.88 113.62 103.86 1xtl n SER 76 Ca -0.03 0.08 -0.22 0.00 1.01 0.00 0.00 58.87 59.71 1xtl n SER 76 Cb 0.27 -4.30 -0.02 0.00 -1.01 0.00 0.00 64.21 59.15 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 -4.95 3.24 -0.21 -3.43 1.43 -0.95 -5.06 118.68 108.75 1xtl s LEU 77 Ca 0.00 -0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 1xtl s LEU 77 Cb 0.00 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1xtl s LEU 77 CO 0.00 -0.81 1.50 -0.60 0.23 0.00 0.00 176.35 176.66 1xtl s ARG 78 N -4.22 3.92 0.14 1.70 3.52 -1.26 -4.36 118.95 118.39 1xtl s ARG 78 Ca 0.47 1.62 -0.31 0.00 -0.13 0.00 0.00 55.73 57.38 1xtl s ARG 78 Cb -0.04 -3.96 -0.09 0.00 -1.56 0.00 0.00 34.95 29.30 1xtl s ARG 78 CO 0.28 -1.12 1.58 -2.14 -0.81 0.00 0.00 175.30 173.09 1xtl s PRO 79 N 4.33 4.21 0.00 5.12 0.02 -1.26 -1.91 135.00 145.51 1xtl s PRO 79 Ca 0.66 2.34 0.00 0.00 0.02 0.00 0.00 61.00 64.02 1xtl s PRO 79 Cb -0.23 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1xtl s PRO 79 CO 0.26 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 1xtl n GLY 80 N 3.81 1.76 3.77 0.52 0.00 0.20 -4.87 105.19 110.38 1xtl n GLY 80 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.46 3.35 -0.17 4.61 0.00 -0.81 -4.68 121.76 120.62 1xtl s ALA 81 Ca 0.00 1.33 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 1xtl s ALA 81 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1xtl s ALA 81 CO 0.00 -0.88 0.56 -1.12 0.00 0.00 0.00 175.76 174.32 1xtl s SER 82 N -0.56 6.68 -0.09 0.00 0.01 -1.26 -1.45 113.70 117.02 1xtl s SER 82 Ca 0.55 0.81 0.02 0.00 1.31 0.00 0.00 55.95 58.64 1xtl s SER 82 Cb -0.41 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.52 1xtl s SER 82 CO 0.53 -0.16 -0.14 -0.76 0.41 0.00 0.00 173.24 173.12 1xtl s LEU 83 N 1.39 1.65 0.67 2.44 1.43 -0.58 -1.80 118.68 123.87 1xtl s LEU 83 Ca 0.27 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.83 1xtl s LEU 83 Cb -0.16 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1xtl s LEU 83 CO 0.11 0.01 0.82 0.61 0.23 0.00 0.00 176.35 178.13 1xtl n GLY 84 N 4.13 -0.77 3.41 -3.19 0.00 -0.51 -1.44 105.19 106.82 1xtl n GLY 84 Ca -0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.73 -0.97 0.05 1.61 5.36 -1.26 -1.28 117.98 119.77 1xtl s PHE 85 Ca 0.72 1.80 -0.17 0.00 -0.96 0.00 0.00 56.93 58.33 1xtl s PHE 85 Cb -0.38 0.48 0.03 0.00 -0.34 0.00 0.00 43.02 42.81 1xtl s PHE 85 CO 0.51 -0.53 0.38 -1.01 -1.46 0.00 0.00 175.22 173.11 1xtl s HIS 86 N 2.50 -0.21 -0.17 10.12 3.76 -1.05 -3.04 115.29 127.20 1xtl s HIS 86 Ca -0.05 0.11 -0.17 0.00 -0.15 0.00 0.00 55.06 54.80 1xtl s HIS 86 Cb -0.11 0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.72 1xtl s HIS 86 CO -0.15 -0.57 0.45 0.42 -0.85 0.00 0.00 174.74 174.05 1xtl s ILE 87 N -2.65 5.17 0.22 0.60 1.01 -0.27 -1.76 121.20 123.51 1xtl s ILE 87 Ca -0.04 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.48 1xtl s ILE 87 Cb -0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1xtl s ILE 87 CO -0.04 0.26 0.37 -0.31 0.00 0.00 0.00 174.94 175.22 1xtl s TYR 88 N 1.16 3.48 -2.01 3.97 1.51 0.47 -1.17 117.35 124.76 1xtl s TYR 88 Ca 0.23 0.16 0.29 0.00 -1.01 0.00 0.00 57.07 56.73 1xtl s TYR 88 Cb -0.15 -1.71 1.22 0.00 -0.11 0.00 0.00 41.96 41.21 1xtl s TYR 88 CO 0.09 0.41 1.84 -0.85 -1.11 0.00 0.00 175.55 175.93 1xtl n GLU 89 N -1.00 1.09 -4.02 -0.62 0.28 0.17 -2.44 120.64 114.10 1xtl n GLU 89 Ca -0.07 -0.47 -0.15 0.00 -0.16 0.00 0.00 57.16 56.32 1xtl n GLU 89 Cb 0.55 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.79 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 -2.24 0.25 -1.36 3.44 2.20 -1.26 -4.64 119.74 116.13 1xtl s LYS 90 Ca 0.35 -0.08 -0.09 0.00 -0.36 0.00 0.00 55.97 55.78 1xtl s LYS 90 Cb 0.21 -0.26 -0.12 0.00 -1.51 0.00 0.00 37.83 36.15 1xtl s LYS 90 CO 0.42 0.04 3.03 0.41 -0.36 0.00 0.00 175.35 178.89 1xtl n GLY 91 N 3.16 4.02 2.79 5.54 0.00 -0.43 -3.70 105.19 116.57 1xtl n GLY 91 Ca -0.15 -1.43 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 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 2.19 0.74 -0.67 1.61 0.15 -1.26 -4.78 113.70 111.68 1xtl s SER 92 Ca 0.68 -0.02 0.05 0.00 0.70 0.00 0.00 55.95 57.37 1xtl s SER 92 Cb 0.20 -0.24 0.18 0.00 -1.71 0.00 0.00 66.02 64.45 1xtl s SER 92 CO -0.05 -0.14 0.52 0.00 1.20 0.00 0.00 173.24 174.77 1xtl s VAL 94 N -1.49 5.21 0.75 0.00 1.01 0.06 -4.98 120.40 120.97 1xtl s VAL 94 Ca 0.28 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 1xtl s VAL 94 Cb -0.00 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1xtl s VAL 94 CO -0.15 0.18 1.13 -0.13 0.00 0.00 0.00 175.10 176.13 1xtl s ARG 95 N 1.98 2.20 0.20 2.72 0.52 -1.26 -1.95 118.95 123.36 1xtl s ARG 95 Ca 0.13 1.41 0.20 0.00 -0.52 0.00 0.00 55.73 56.95 1xtl s ARG 95 Cb -0.16 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.44 1xtl s ARG 95 CO 0.10 -1.72 1.08 -1.00 0.02 0.00 0.00 175.30 173.79 1xtl h PRO 96 N -0.74 0.00 -0.08 3.54 0.13 -1.98 -3.44 132.00 129.43 1xtl h PRO 96 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xtl h PRO 96 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xtl h PRO 96 CO 0.50 0.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.15 1xtl n ASP 97 N -2.84 1.97 -2.08 1.44 8.00 -1.25 -4.58 116.55 117.22 1xtl n ASP 97 Ca -0.02 -1.52 -0.18 0.00 0.71 0.00 0.00 54.79 53.77 1xtl n ASP 97 Cb 0.65 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 1xtl n ASP 97 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xtl n PHE 98 N 0.42 -0.76 1.13 1.24 0.99 -0.82 -4.66 117.46 115.00 1xtl n PHE 98 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.64 1xtl n PHE 98 Cb 0.26 -3.43 0.63 0.00 -1.00 0.00 0.00 39.48 35.93 1xtl n PHE 98 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1xtl n GLU 99 N -2.67 0.24 -3.56 -1.08 1.02 -1.26 -3.96 120.64 109.37 1xtl n GLU 99 Ca -0.20 0.04 -0.27 0.00 -0.02 0.00 0.00 57.16 56.70 1xtl n GLU 99 Cb 0.64 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.47 1xtl n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xtl n SER 100 N -1.37 3.49 -2.31 1.62 3.41 -1.26 -4.09 113.62 113.10 1xtl n SER 100 Ca 0.10 -3.36 -0.10 0.00 -0.26 0.00 0.00 58.87 55.24 1xtl n SER 100 Cb 0.25 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 1xtl n SER 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xtl n ALA 101 N 1.18 0.29 -2.01 7.33 0.00 0.21 -0.76 120.51 126.76 1xtl n ALA 101 Ca 0.27 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1xtl n ALA 101 Cb 0.39 0.67 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 0.35 0.33 1.95 0.00 0.00 -1.26 -4.50 105.19 102.06 1xtl n GLY 102 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.59 3.69 -0.02 0.00 -1.26 -4.85 105.19 104.16 1xtl n GLY 103 Ca 0.00 0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 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 0.43 2.34 -1.72 1.61 8.25 -1.26 0.46 115.22 125.32 1xtl n HIS 104 Ca -0.07 0.37 -0.42 0.00 -0.26 0.00 0.00 57.72 57.34 1xtl n HIS 104 Cb 0.11 -2.50 -0.03 0.00 1.12 0.00 0.00 29.99 28.68 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 0.07 1.68 -0.36 4.41 2.19 -0.32 -4.65 117.98 121.01 1xtl s PHE 105 Ca 0.68 -0.23 0.14 0.00 0.33 0.00 0.00 56.93 57.85 1xtl s PHE 105 Cb -0.62 -4.19 0.41 0.00 -1.31 0.00 0.00 43.02 37.32 1xtl s PHE 105 CO 0.48 -5.12 1.00 -1.71 1.83 0.00 0.00 175.22 171.70 1xtl n ASN 106 N 6.77 0.21 -0.32 6.13 5.15 -1.26 -2.22 115.26 129.73 1xtl n ASN 106 Ca 0.19 -2.83 0.19 0.00 -0.60 0.00 0.00 54.58 51.53 1xtl n ASN 106 Cb 0.40 0.03 0.39 0.00 -0.53 0.00 0.00 39.78 40.07 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 2.79 0.19 -0.63 1.20 0.13 -1.92 -1.49 132.00 132.27 1xtl h PRO 107 Ca -0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1xtl h PRO 107 Cb 1.15 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xtl h PRO 107 CO 0.34 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.52 1xtl n LEU 108 N -5.21 3.51 -3.82 1.56 4.32 -1.26 -5.00 117.00 111.10 1xtl n LEU 108 Ca 0.27 -1.76 -0.25 0.00 -0.02 0.00 0.00 56.01 54.26 1xtl n LEU 108 Cb 0.88 -0.44 0.01 0.00 -1.62 0.00 0.00 43.42 42.24 1xtl n LEU 108 CO 0.05 0.81 -0.15 -3.20 -1.22 0.00 0.00 177.39 173.68 1xtl n ASN 109 N 1.26 -1.47 -3.31 -1.43 5.15 -0.56 -5.03 115.26 109.87 1xtl n ASN 109 Ca 0.21 -0.94 -0.10 0.00 -0.60 0.00 0.00 54.58 53.14 1xtl n ASN 109 Cb 0.58 -3.46 0.05 0.00 -0.53 0.00 0.00 39.78 36.41 1xtl n ASN 109 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1xtl n LYS 110 N -4.31 0.49 -2.49 1.20 5.02 -1.26 -5.13 118.16 111.68 1xtl n LYS 110 Ca -0.27 -1.40 -0.24 0.00 -2.02 0.00 0.00 58.31 54.38 1xtl n LYS 110 Cb 0.67 -0.24 0.11 0.00 -0.02 0.00 0.00 35.03 35.55 1xtl n LYS 110 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xtl s GLU 111 N -3.52 1.64 0.33 1.97 2.02 -0.65 -4.78 118.70 115.72 1xtl s GLU 111 Ca 0.31 -0.96 -0.27 0.00 0.02 0.00 0.00 54.97 54.08 1xtl s GLU 111 Cb -0.02 -2.27 -0.09 0.00 0.10 0.00 0.00 34.13 31.84 1xtl s GLU 111 CO 0.20 -1.50 1.03 -1.58 0.02 0.00 0.00 175.26 173.43 1xtl s HIS 112 N -3.21 3.52 0.00 1.61 5.65 -1.26 -1.40 115.29 120.19 1xtl s HIS 112 Ca 0.66 1.72 0.00 0.00 0.25 0.00 0.00 55.06 57.69 1xtl s HIS 112 Cb -0.06 -3.12 0.00 0.00 -1.18 0.00 0.00 32.58 28.23 1xtl s HIS 112 CO 0.45 -0.33 0.00 0.41 -0.65 0.00 0.00 174.74 174.62 1xtl n GLY 113 N 0.74 2.60 0.33 1.59 0.00 -1.26 -4.39 105.19 104.80 1xtl n GLY 113 Ca 0.02 -1.26 0.15 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 -0.03 1.61 -1.00 -1.76 -1.56 116.94 114.20 1xtl h PHE 114 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1xtl h PHE 114 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1xtl h PHE 114 CO 0.00 0.00 -0.01 0.09 -1.61 0.00 0.00 178.31 176.78 1xtl n ASN 115 N -4.38 2.53 -4.66 2.17 3.02 0.13 -4.89 115.26 109.19 1xtl n ASN 115 Ca 0.04 -1.84 -0.43 0.00 -0.03 0.00 0.00 54.58 52.32 1xtl n ASN 115 Cb 0.37 0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 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 -2.01 7.08 0.22 6.41 3.84 -0.59 -4.96 114.94 124.92 1xtl s ASN 116 Ca 0.31 1.35 -0.07 0.00 0.21 0.00 0.00 52.86 54.65 1xtl s ASN 116 Cb 0.20 -2.53 0.33 0.00 -0.55 0.00 0.00 41.25 38.70 1xtl s ASN 116 CO 0.32 -0.65 1.76 1.55 -2.79 0.00 0.00 177.10 177.29 1xtl h PRO 117 N 7.47 0.52 0.00 0.43 0.13 -1.90 -0.50 132.00 138.14 1xtl h PRO 117 Ca -0.20 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1xtl h PRO 117 Cb 1.06 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1xtl h PRO 117 CO 0.97 0.34 0.00 -1.33 -0.23 0.00 0.00 178.00 177.75 1xtl n MET 118 N -4.91 0.86 -2.13 0.86 2.81 -1.26 -4.95 117.12 108.40 1xtl n MET 118 Ca 0.11 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.89 1xtl n MET 118 Cb 0.29 -1.26 0.04 0.00 -0.71 0.00 0.00 33.22 31.57 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 0.55 1.98 1.05 3.03 0.00 -0.20 -1.63 105.19 109.97 1xtl n GLY 119 Ca 0.11 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1xtl n GLY 119 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1xtl n HIS 120 N -1.69 -0.54 -1.53 1.61 1.44 -0.50 -4.69 115.22 109.33 1xtl n HIS 120 Ca 0.09 0.32 -0.44 0.00 -2.01 0.00 0.00 57.72 55.68 1xtl n HIS 120 Cb 0.34 -2.20 -0.01 0.00 0.12 0.00 0.00 29.99 28.24 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 0.20 0.52 0.26 -1.40 8.25 -0.93 -4.81 115.22 117.31 1xtl n HIS 121 Ca 0.00 0.70 0.11 0.00 -0.26 0.00 0.00 57.72 58.27 1xtl n HIS 121 Cb 0.00 -2.13 0.52 0.00 1.12 0.00 0.00 29.99 29.50 1xtl n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xtl n ALA 122 N -0.19 1.31 0.25 -1.41 0.00 -0.94 -2.05 120.51 117.48 1xtl n ALA 122 Ca 0.11 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.81 1xtl n ALA 122 Cb 0.34 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 18.69 1xtl n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtl n GLY 123 N -0.74 1.81 3.64 0.00 0.00 -1.04 -4.57 105.19 104.29 1xtl n GLY 123 Ca 0.00 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.43 6.67 0.24 1.61 1.01 -0.87 -1.11 116.67 122.78 1xtl s ASP 124 Ca 0.40 1.54 0.10 0.00 0.71 0.00 0.00 52.55 55.29 1xtl s ASP 124 Cb 0.23 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 1xtl s ASP 124 CO 0.32 -1.03 -0.07 -0.76 0.21 0.00 0.00 175.17 173.84 1xtl s LEU 125 N 4.33 3.01 0.75 1.23 1.43 -1.17 -4.98 118.68 123.28 1xtl s LEU 125 Ca 0.61 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1xtl s LEU 125 Cb -0.22 -1.59 0.04 0.00 0.03 0.00 0.00 46.19 44.45 1xtl s LEU 125 CO 0.23 0.04 1.09 -2.84 0.23 0.00 0.00 176.35 175.10 1xtl s PRO 126 N -3.34 2.44 0.41 1.29 0.02 -1.26 -4.51 135.00 130.06 1xtl s PRO 126 Ca 0.29 1.14 -0.25 0.00 0.02 0.00 0.00 61.00 62.19 1xtl s PRO 126 Cb -0.07 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 1xtl s PRO 126 CO 0.17 -1.50 1.19 0.09 -0.33 0.00 0.00 177.00 176.63 1xtl n ASN 127 N -3.36 2.16 -4.83 2.53 5.03 -1.26 -4.52 115.26 111.00 1xtl n ASN 127 Ca 0.09 1.09 -0.36 0.00 0.87 0.00 0.00 54.58 56.28 1xtl n ASN 127 Cb 0.53 -1.45 -0.06 0.00 -1.02 0.00 0.00 39.78 37.78 1xtl n ASN 127 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xtl s LEU 128 N -1.29 4.33 -0.20 3.41 1.43 -0.52 -4.89 118.68 120.94 1xtl s LEU 128 Ca 0.61 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1xtl s LEU 128 Cb -0.53 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1xtl s LEU 128 CO 0.58 0.07 -0.11 -0.70 0.23 0.00 0.00 176.35 176.42 1xtl s GLU 129 N -1.99 3.22 -0.16 1.70 2.12 -1.26 -1.53 118.70 120.80 1xtl s GLU 129 Ca 0.40 -0.71 -0.14 0.00 0.36 0.00 0.00 54.97 54.88 1xtl s GLU 129 Cb -0.15 -2.82 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 1xtl s GLU 129 CO 0.20 -0.19 0.32 0.08 -0.54 0.00 0.00 175.26 175.12 1xtl s VAL 130 N 1.38 5.29 1.18 3.70 1.01 -0.53 -4.79 120.40 127.64 1xtl s VAL 130 Ca 0.05 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 1xtl s VAL 130 Cb -0.14 -3.65 0.27 0.00 0.00 0.00 0.00 36.38 32.86 1xtl s VAL 130 CO -0.07 0.37 1.08 -0.83 0.00 0.00 0.00 175.10 175.65 1xtl s GLY 131 N 0.53 1.55 0.66 4.51 0.00 -0.81 -0.63 107.32 113.15 1xtl s GLY 131 Ca 0.17 -0.74 0.44 0.00 0.00 0.00 0.00 44.72 44.60 1xtl s GLY 131 CO 0.05 0.09 2.36 0.00 0.00 0.00 0.00 173.10 175.60 1xtl h ALA 132 N -2.53 1.01 -0.04 3.20 0.00 -1.91 -1.43 119.26 117.56 1xtl h ALA 132 Ca -0.49 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1xtl h ALA 132 Cb 1.31 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xtl h ALA 132 CO 0.41 0.00 0.06 0.22 0.00 0.00 0.00 179.25 179.94 1xtl h ASP 133 N 0.00 0.00 0.00 0.00 3.58 -1.96 -3.45 116.42 114.59 1xtl h ASP 133 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xtl h ASP 133 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1xtl h ASP 133 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1xtl n GLY 134 N -1.29 2.28 3.74 -0.78 0.00 -0.91 -4.84 105.19 103.39 1xtl n GLY 134 Ca -0.02 0.00 -0.22 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 -0.00 2.61 -0.05 1.61 1.02 -1.26 -2.23 119.74 121.43 1xtl s LYS 135 Ca 0.00 -1.24 -0.06 0.00 0.02 0.00 0.00 55.97 54.69 1xtl s LYS 135 Cb 0.00 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1xtl s LYS 135 CO 0.00 0.38 0.17 0.54 -0.92 0.00 0.00 175.35 175.51 1xtl s VAL 136 N -2.23 0.02 -0.45 3.17 0.11 0.88 -1.91 120.40 119.98 1xtl s VAL 136 Ca 0.32 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.27 1xtl s VAL 136 Cb -0.07 -0.30 0.18 0.00 -1.53 0.00 0.00 36.38 34.66 1xtl s VAL 136 CO 0.22 -0.09 0.59 -0.62 -3.33 0.00 0.00 175.10 171.87 1xtl s ASP 137 N -0.27 -0.64 0.30 3.54 -1.08 -1.23 -0.25 116.67 117.04 1xtl s ASP 137 Ca -0.04 -1.66 0.03 0.00 -0.52 0.00 0.00 52.55 50.36 1xtl s ASP 137 Cb -0.03 1.37 -0.06 0.00 -1.46 0.00 0.00 42.92 42.74 1xtl s ASP 137 CO 0.01 -0.13 0.08 0.68 0.52 0.00 0.00 175.17 176.32 1xtl s VAL 138 N 1.09 0.90 -0.28 1.11 -7.23 -0.53 -4.97 120.40 110.49 1xtl s VAL 138 Ca 0.25 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1xtl s VAL 138 Cb -0.03 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.24 1xtl s VAL 138 CO -0.07 0.00 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.07 1xtl s ILE 139 N -3.48 2.93 0.08 -0.62 1.09 -1.26 -1.36 121.20 118.59 1xtl s ILE 139 Ca 0.37 -1.29 -0.17 0.00 -1.10 0.00 0.00 60.65 58.45 1xtl s ILE 139 Cb 0.08 -2.64 -0.07 0.00 -1.06 0.00 0.00 42.46 38.78 1xtl s ILE 139 CO 0.15 -0.02 0.54 -0.04 -0.10 0.00 0.00 174.94 175.46 1xtl s MET 140 N 1.27 4.09 -0.09 2.79 -1.94 -0.10 -4.88 119.30 120.44 1xtl s MET 140 Ca -0.04 0.62 -0.16 0.00 -1.71 0.00 0.00 55.69 54.39 1xtl s MET 140 Cb -0.19 -3.15 -0.05 0.00 2.01 0.00 0.00 34.83 33.46 1xtl s MET 140 CO -0.02 0.60 0.42 1.21 -0.01 0.00 0.00 175.02 177.22 1xtl s ASN 141 N -1.28 6.68 -0.59 3.03 3.84 -1.26 -0.44 114.94 124.92 1xtl s ASN 141 Ca 0.31 0.81 0.04 0.00 0.21 0.00 0.00 52.86 54.23 1xtl s ASN 141 Cb -0.18 -2.26 0.14 0.00 -0.55 0.00 0.00 41.25 38.41 1xtl s ASN 141 CO 0.18 0.12 0.35 0.00 -2.79 0.00 0.00 177.10 174.96 1xtl s ALA 142 N 0.05 3.50 0.36 1.71 0.00 0.58 -4.93 121.76 123.04 1xtl s ALA 142 Ca 0.24 -3.49 0.11 0.00 0.00 0.00 0.00 51.96 48.81 1xtl s ALA 142 Cb -0.15 -2.16 0.69 0.00 0.00 0.00 0.00 23.12 21.49 1xtl s ALA 142 CO 0.10 -2.05 1.82 -1.00 0.00 0.00 0.00 175.76 174.63 1xtl h PRO 143 N 6.08 0.10 -0.94 0.00 0.13 -1.81 -0.01 132.00 135.55 1xtl h PRO 143 Ca 0.00 -0.03 -0.31 0.00 -0.87 0.00 0.00 66.00 64.79 1xtl h PRO 143 Cb 0.84 -0.01 -0.19 0.00 0.13 0.00 0.00 31.00 31.77 1xtl h PRO 143 CO 0.70 0.42 0.40 -0.25 -0.23 0.00 0.00 178.00 179.04 1xtl n ASP 144 N -4.12 3.78 -4.73 1.44 8.00 -1.26 -3.09 116.55 116.57 1xtl n ASP 144 Ca -0.02 -3.12 -0.29 0.00 0.71 0.00 0.00 54.79 52.08 1xtl n ASP 144 Cb 0.39 -0.73 -0.08 0.00 -0.02 0.00 0.00 41.12 40.68 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 -2.47 1.71 0.19 -3.53 -4.23 -1.14 -4.82 115.64 101.35 1xtl s THR 145 Ca 0.43 -1.89 -0.21 0.00 -1.18 0.00 0.00 61.69 58.84 1xtl s THR 145 Cb 0.35 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.65 1xtl s THR 145 CO 0.09 0.00 0.60 -0.55 -0.54 0.00 0.00 174.62 174.22 1xtl s SER 146 N -3.87 -0.42 0.00 3.99 0.15 -0.31 -4.35 113.70 108.89 1xtl s SER 146 Ca 0.25 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.67 1xtl s SER 146 Cb 0.04 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 64.96 1xtl s SER 146 CO 0.13 -1.06 0.10 0.18 1.20 0.00 0.00 173.24 173.80 1xtl n LEU 147 N -0.38 0.18 -4.67 3.45 4.77 -1.26 -1.44 117.00 117.65 1xtl n LEU 147 Ca -0.13 -0.56 -0.40 0.00 -0.03 0.00 0.00 56.01 54.89 1xtl n LEU 147 Cb 0.63 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1xtl n LEU 147 CO 0.14 0.04 0.37 -1.59 -1.33 0.00 0.00 177.39 175.02 1xtl s LYS 148 N -0.96 4.24 0.22 3.23 -2.85 -1.26 -4.73 119.74 117.63 1xtl s LYS 148 Ca 0.00 0.63 -0.31 0.00 -1.00 0.00 0.00 55.97 55.30 1xtl s LYS 148 Cb 0.01 -3.56 -0.10 0.00 -2.06 0.00 0.00 37.83 32.12 1xtl s LYS 148 CO 0.04 -0.19 1.50 0.21 0.10 0.00 0.00 175.35 177.01 1xtl s LYS 149 N 1.73 4.23 0.00 1.78 2.20 -1.26 -2.31 119.74 126.11 1xtl s LYS 149 Ca 0.29 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 1xtl s LYS 149 Cb -0.16 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1xtl s LYS 149 CO 0.11 -0.51 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1xtl n GLY 150 N 2.82 1.72 3.76 5.54 0.00 -1.26 -5.06 105.19 112.71 1xtl n GLY 150 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.04 5.65 0.46 1.61 0.15 -0.98 -4.93 113.70 112.62 1xtl s SER 151 Ca 0.00 2.50 0.21 0.00 0.70 0.00 0.00 55.95 59.36 1xtl s SER 151 Cb 0.00 -2.61 1.10 0.00 -1.71 0.00 0.00 66.02 62.80 1xtl s SER 151 CO 0.00 -1.28 1.95 0.07 1.20 0.00 0.00 173.24 175.17 1xtl h LYS 152 N 1.62 0.00 -0.13 5.44 2.10 -1.97 -2.54 116.57 121.09 1xtl h LYS 152 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1xtl h LYS 152 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1xtl h LYS 152 CO 0.58 0.22 0.00 1.28 -2.00 0.00 0.00 179.45 179.53 1xtl n LEU 153 N -3.79 1.04 -4.66 7.07 4.77 -1.26 -4.78 117.00 115.39 1xtl n LEU 153 Ca -0.02 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.08 1xtl n LEU 153 Cb 0.32 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1xtl n LEU 153 CO 0.34 0.23 1.30 0.21 -1.33 0.00 0.00 177.39 178.14 1xtl s ASN 154 N -1.44 6.73 0.03 -1.43 2.47 -0.96 -1.16 114.94 119.19 1xtl s ASN 154 Ca 0.27 2.11 0.22 0.00 0.42 0.00 0.00 52.86 55.88 1xtl s ASN 154 Cb 0.14 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.35 1xtl s ASN 154 CO 0.21 -0.88 0.93 2.30 -3.72 0.00 0.00 177.10 175.93 1xtl n ILE 155 N 5.43 0.13 -2.37 -5.21 -5.35 -0.52 -4.32 119.36 107.15 1xtl n ILE 155 Ca 0.16 -0.26 -0.41 0.00 -0.27 0.00 0.00 62.75 61.98 1xtl n ILE 155 Cb 0.43 0.27 0.03 0.00 -1.74 0.00 0.00 39.64 38.63 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 -1.96 7.43 0.00 7.28 0.00 -1.26 -3.52 117.00 124.97 1xtl n LEU 156 Ca 0.01 -5.18 -0.22 0.00 0.00 0.00 0.00 56.01 50.62 1xtl n LEU 156 Cb 0.44 -1.14 0.13 0.00 0.00 0.00 0.00 43.42 42.85 1xtl n LEU 156 CO 0.41 1.95 0.58 -0.90 0.00 0.00 0.00 177.39 179.43 1xtl n ASP 157 N -0.20 0.98 -0.21 1.96 5.75 -1.26 -4.89 116.55 118.68 1xtl n ASP 157 Ca 0.50 -1.91 -0.01 0.00 -0.01 0.00 0.00 54.79 53.35 1xtl n ASP 157 Cb 0.25 -0.67 0.10 0.00 -1.03 0.00 0.00 41.12 39.77 1xtl n ASP 157 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xtl h GLU 158 N 0.00 0.55 -0.68 0.11 4.81 -1.95 -0.27 114.58 117.15 1xtl h GLU 158 Ca -0.32 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1xtl h GLU 158 Cb 1.11 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 1xtl h GLU 158 CO 0.32 0.36 0.47 -0.44 -0.73 0.00 0.00 179.01 178.99 1xtl h ASP 159 N 0.57 0.17 -3.60 1.04 3.45 -1.94 -3.47 116.42 112.64 1xtl h ASP 159 Ca 0.29 0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.78 1xtl h ASP 159 Cb 0.24 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 1xtl h ASP 159 CO -0.22 0.08 -0.03 0.61 -1.57 0.00 0.00 179.24 178.12 1xtl n GLY 160 N -1.60 -2.00 3.37 2.75 0.00 -0.12 -1.32 105.19 106.28 1xtl n GLY 160 Ca 0.13 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.67 0.05 0.02 1.61 0.01 -0.08 -3.53 113.70 108.11 1xtl s SER 161 Ca 0.00 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.20 1xtl s SER 161 Cb 0.00 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 1xtl s SER 161 CO 0.00 -0.95 -0.09 0.00 0.41 0.00 0.00 173.24 172.61 1xtl s ALA 162 N -4.05 0.74 -0.25 1.44 0.00 -1.02 0.42 121.76 119.03 1xtl s ALA 162 Ca 0.27 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 1xtl s ALA 162 Cb 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1xtl s ALA 162 CO 0.07 0.13 0.15 -0.06 0.00 0.00 0.00 175.76 176.05 1xtl s PHE 163 N -0.59 3.23 -0.07 0.00 0.08 0.14 -0.39 117.98 120.39 1xtl s PHE 163 Ca -0.00 0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.16 1xtl s PHE 163 Cb -0.06 -2.29 -0.01 0.00 -0.57 0.00 0.00 43.02 40.10 1xtl s PHE 163 CO 0.00 -0.08 -0.24 0.42 -0.10 0.00 0.00 175.22 175.22 1xtl s ILE 164 N 1.35 2.18 -0.17 0.64 1.01 -0.73 -1.20 121.20 124.27 1xtl s ILE 164 Ca 0.07 -1.02 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1xtl s ILE 164 Cb -0.15 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1xtl s ILE 164 CO 0.06 0.57 0.18 -0.63 0.00 0.00 0.00 174.94 175.12 1xtl s ILE 165 N -0.12 5.39 0.60 2.92 1.01 -0.73 -2.53 121.20 127.74 1xtl s ILE 165 Ca -0.05 0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.90 1xtl s ILE 165 Cb -0.14 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.89 1xtl s ILE 165 CO 0.04 0.46 0.84 -1.00 0.00 0.00 0.00 174.94 175.28 1xtl s HIS 166 N 0.11 2.48 -0.76 3.97 3.76 -0.40 -0.38 115.29 124.07 1xtl s HIS 166 Ca 0.11 -0.10 0.26 0.00 -0.15 0.00 0.00 55.06 55.19 1xtl s HIS 166 Cb -0.12 -2.81 0.85 0.00 1.11 0.00 0.00 32.58 31.62 1xtl s HIS 166 CO 0.01 -1.11 1.79 -0.85 -0.85 0.00 0.00 174.74 173.73 1xtl n GLU 167 N -2.48 0.23 -3.91 1.40 0.28 0.62 -4.54 120.64 112.25 1xtl n GLU 167 Ca 0.10 0.19 -0.08 0.00 -0.16 0.00 0.00 57.16 57.21 1xtl n GLU 167 Cb 0.60 -1.77 -0.04 0.00 1.43 0.00 0.00 31.44 31.66 1xtl n GLU 167 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1xtl s GLN 168 N -3.09 1.62 0.32 3.44 0.74 -0.98 -4.97 119.66 116.75 1xtl s GLN 168 Ca 0.11 -1.10 -0.28 0.00 0.05 0.00 0.00 55.36 54.15 1xtl s GLN 168 Cb 0.13 0.53 -0.09 0.00 1.10 0.00 0.00 33.01 34.68 1xtl s GLN 168 CO 0.59 -0.71 1.08 0.00 -0.55 0.00 0.00 175.29 175.70 1xtl s ALA 169 N -3.96 3.29 0.28 1.58 0.00 -0.75 -1.42 121.76 120.78 1xtl s ALA 169 Ca 0.16 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 1xtl s ALA 169 Cb -0.03 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1xtl s ALA 169 CO 0.07 -0.18 1.26 0.34 0.00 0.00 0.00 175.76 177.25 1xtl s ASP 170 N -1.12 6.93 0.00 0.00 -1.08 -1.26 -4.40 116.67 115.74 1xtl s ASP 170 Ca 0.49 2.50 0.24 0.00 -0.52 0.00 0.00 52.55 55.26 1xtl s ASP 170 Cb -0.28 -2.63 0.98 0.00 -1.46 0.00 0.00 42.92 39.52 1xtl s ASP 170 CO 0.36 -0.43 1.68 -0.90 0.52 0.00 0.00 175.17 176.40 1xtl n ASP 171 N 1.41 1.31 -1.83 -0.34 5.68 -1.04 -4.97 116.55 116.77 1xtl n ASP 171 Ca 0.01 -1.55 -0.17 0.00 -0.50 0.00 0.00 54.79 52.58 1xtl n ASP 171 Cb 0.43 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 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 0.06 -0.68 0.07 2.11 0.53 -1.26 -4.79 117.16 113.20 1xtl n TYR 172 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.05 1xtl n TYR 172 Cb 0.29 -3.33 0.00 0.00 -1.03 0.00 0.00 39.34 35.28 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 -2.34 -1.02 -4.77 7.72 7.94 -1.26 -0.69 117.00 122.58 1xtl n LEU 173 Ca -0.20 0.27 -0.41 0.00 -1.11 0.00 0.00 56.01 54.56 1xtl n LEU 173 Cb 0.64 1.20 -0.02 0.00 0.53 0.00 0.00 43.42 45.77 1xtl n LEU 173 CO 0.24 -0.34 1.04 -0.89 -1.11 0.00 0.00 177.39 176.33 1xtl s THR 174 N -2.00 2.55 0.33 1.96 2.01 -1.26 -4.70 115.64 114.53 1xtl s THR 174 Ca 0.00 0.53 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 1xtl s THR 174 Cb 0.00 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1xtl s THR 174 CO 0.00 0.12 0.73 0.20 -0.69 0.00 0.00 174.62 174.97 1xtl s ASN 175 N -0.22 6.71 0.23 3.53 0.01 -1.26 -0.81 114.94 123.12 1xtl s ASN 175 Ca 0.52 1.22 0.22 0.00 -0.71 0.00 0.00 52.86 54.10 1xtl s ASN 175 Cb -0.42 -2.35 0.05 0.00 0.41 0.00 0.00 41.25 38.94 1xtl s ASN 175 CO 0.53 -0.24 1.13 1.55 -1.51 0.00 0.00 177.10 178.57 1xtl h PRO 176 N 2.06 0.00 0.00 -0.60 0.13 -2.00 -3.43 132.00 128.16 1xtl h PRO 176 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xtl h PRO 176 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1xtl h PRO 176 CO 0.65 0.05 0.00 -1.13 -0.23 0.00 0.00 178.00 177.34 1xtl n SER 177 N -2.80 1.63 -0.79 1.44 3.41 -1.25 -4.60 113.62 110.65 1xtl n SER 177 Ca -0.00 -1.76 -0.07 0.00 -0.26 0.00 0.00 58.87 56.78 1xtl n SER 177 Cb 0.59 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.38 0.12 3.04 5.00 0.00 0.00 -3.44 105.19 109.53 1xtl n GLY 178 Ca 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 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 0.70 -4.35 0.00 1.61 2.85 -1.26 -2.51 115.26 112.30 1xtl n ASN 179 Ca -0.07 -0.22 0.11 0.00 -0.11 0.00 0.00 54.58 54.29 1xtl n ASN 179 Cb 0.56 -3.60 0.51 0.00 1.24 0.00 0.00 39.78 38.49 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 -2.22 0.00 0.00 1.20 7.64 -1.22 -4.81 113.62 114.21 1xtl n SER 180 Ca -0.07 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1xtl n SER 180 Cb 0.58 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.84 -1.06 3.75 0.23 0.00 -1.26 -2.31 105.19 105.37 1xtl n GLY 181 Ca 0.07 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 2.37 2.09 -1.68 4.61 0.00 -1.26 -4.69 120.51 121.95 1xtl n ALA 182 Ca 0.00 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 1xtl n ALA 182 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 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 -1.82 3.39 -0.00 0.00 0.52 -1.26 -0.28 118.95 119.50 1xtl s ARG 183 Ca 0.55 2.07 0.01 0.00 -0.52 0.00 0.00 55.73 57.84 1xtl s ARG 183 Cb -0.51 -4.30 -0.01 0.00 0.52 0.00 0.00 34.95 30.66 1xtl s ARG 183 CO 0.61 -1.81 0.02 0.44 0.02 0.00 0.00 175.30 174.58 1xtl n ILE 184 N 7.20 0.00 -3.74 1.52 -5.35 0.48 -4.74 119.36 114.73 1xtl n ILE 184 Ca 0.27 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 1xtl n ILE 184 Cb 0.44 0.76 -0.12 0.00 -1.74 0.00 0.00 39.64 38.98 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 -1.51 -0.02 -0.02 7.28 1.01 -1.08 -3.07 120.40 122.99 1xtl s VAL 185 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1xtl s VAL 185 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.98 1xtl s VAL 185 CO 0.02 0.04 0.06 0.00 0.00 0.00 0.00 175.10 175.21 1xtl s GLY 187 N -0.06 0.30 -0.20 0.00 0.00 -0.34 -2.10 107.32 104.91 1xtl s GLY 187 Ca -0.01 0.09 -0.16 0.00 0.00 0.00 0.00 44.72 44.65 1xtl s GLY 187 CO 0.00 0.85 0.39 0.00 0.00 0.00 0.00 173.10 174.34 1xtl s ALA 188 N 1.43 3.56 -0.45 3.20 0.00 -1.26 0.28 121.76 128.52 1xtl s ALA 188 Ca -0.04 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 1xtl s ALA 188 Cb -0.13 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.41 1xtl s ALA 188 CO -0.03 -0.29 0.48 -1.17 0.00 0.00 0.00 175.76 174.76 1xtl s LEU 189 N 1.28 4.95 0.00 0.00 2.96 0.17 -4.81 118.68 123.22 1xtl s LEU 189 Ca 0.18 -0.78 0.00 0.00 -0.22 0.00 0.00 54.13 53.32 1xtl s LEU 189 Cb -0.15 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1xtl s LEU 189 CO 0.08 -0.67 0.00 -0.11 -1.32 0.00 0.00 176.35 174.33 1xtl n LEU 190 N 5.72 0.00 0.00 -0.68 0.00 -1.26 -0.90 117.00 119.88 1xtl n LEU 190 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.94 1xtl n LEU 190 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.89 1xtl n LEU 190 CO 0.48 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.48