#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xq4 s VAL 8 N 0.00 4.49 0.42 -1.45 0.11 -1.26 -5.05 120.40 117.66 1xq4 s VAL 8 Ca 0.00 1.67 -0.20 0.00 -2.93 0.00 0.00 61.98 60.51 1xq4 s VAL 8 Cb 0.00 -4.12 -0.11 0.00 -1.53 0.00 0.00 36.38 30.62 1xq4 s VAL 8 CO 0.00 0.48 0.93 -0.54 -3.33 0.00 0.00 175.10 172.64 1xq4 s LYS 9 N -0.82 4.21 0.09 1.54 1.02 -1.26 -4.87 119.74 119.64 1xq4 s LYS 9 Ca 0.36 1.08 -0.11 0.00 0.02 0.00 0.00 55.97 57.33 1xq4 s LYS 9 Cb -0.22 -2.20 -0.21 0.00 -0.52 0.00 0.00 37.83 34.68 1xq4 s LYS 9 CO 0.25 -0.02 1.20 -1.00 -0.92 0.00 0.00 175.35 174.86 1xq4 h PRO 10 N 1.93 0.58 -3.96 -1.68 0.13 -1.94 0.18 132.00 127.23 1xq4 h PRO 10 Ca -0.49 -0.67 -0.61 0.00 -0.87 0.00 0.00 66.00 63.36 1xq4 h PRO 10 Cb 1.18 0.20 -0.40 0.00 0.13 0.00 0.00 31.00 32.11 1xq4 h PRO 10 CO 0.61 1.27 -0.74 0.71 -0.23 0.00 0.00 178.00 179.63 1xq4 s TYR 11 N -3.18 2.53 -0.12 1.56 2.02 -1.26 -1.07 117.35 117.83 1xq4 s TYR 11 Ca -0.08 -2.28 -0.06 0.00 -0.37 0.00 0.00 57.07 54.28 1xq4 s TYR 11 Cb 0.07 -2.21 0.05 0.00 -0.40 0.00 0.00 41.96 39.48 1xq4 s TYR 11 CO 0.91 -0.90 0.27 0.34 -1.57 0.00 0.00 175.55 174.60 1xq4 s ASP 12 N 1.26 -0.22 -0.07 2.29 2.15 -1.26 -4.93 116.67 115.89 1xq4 s ASP 12 Ca 0.11 0.59 0.03 0.00 0.43 0.00 0.00 52.55 53.71 1xq4 s ASP 12 Cb -0.18 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 1xq4 s ASP 12 CO -0.17 -0.18 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.72 1xq4 s LEU 13 N 1.45 1.85 -0.15 -1.34 1.43 -1.26 -0.84 118.68 119.83 1xq4 s LEU 13 Ca -0.08 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1xq4 s LEU 13 Cb -0.10 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1xq4 s LEU 13 CO -0.09 0.11 0.07 -0.89 0.23 0.00 0.00 176.35 175.77 1xq4 s THR 14 N 0.40 4.89 -0.13 5.49 2.01 0.23 -4.91 115.64 123.61 1xq4 s THR 14 Ca -0.13 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1xq4 s THR 14 Cb -0.15 -3.16 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 1xq4 s THR 14 CO 0.05 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 1xq4 s VAL 15 N -0.25 2.45 -0.02 3.82 1.01 -1.26 -0.97 120.40 125.17 1xq4 s VAL 15 Ca 0.08 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1xq4 s VAL 15 Cb -0.12 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1xq4 s VAL 15 CO 0.01 0.54 -0.15 -0.94 0.00 0.00 0.00 175.10 174.56 1xq4 s SER 16 N 0.55 1.82 -0.01 3.32 1.04 -0.64 -4.89 113.70 114.88 1xq4 s SER 16 Ca -0.12 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.08 1xq4 s SER 16 Cb -0.16 -0.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.61 1xq4 s SER 16 CO 0.04 0.16 -0.17 -0.69 0.98 0.00 0.00 173.24 173.56 1xq4 s VAL 17 N -0.16 1.35 -0.35 5.02 1.01 -1.26 -0.68 120.40 125.33 1xq4 s VAL 17 Ca 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1xq4 s VAL 17 Cb -0.08 -1.12 0.10 0.00 0.00 0.00 0.00 36.38 35.28 1xq4 s VAL 17 CO 0.00 0.38 0.07 -0.89 0.00 0.00 0.00 175.10 174.67 1xq4 s THR 18 N -0.39 2.13 1.17 3.92 2.01 -0.70 -4.98 115.64 118.81 1xq4 s THR 18 Ca 0.06 -2.30 -0.16 0.00 0.31 0.00 0.00 61.69 59.60 1xq4 s THR 18 Cb -0.07 -2.57 0.27 0.00 0.01 0.00 0.00 72.50 70.15 1xq4 s THR 18 CO -0.01 -0.62 1.05 -2.84 -0.69 0.00 0.00 174.62 171.51 1xq4 s PRO 19 N 0.90 -0.99 -0.30 4.92 0.02 -1.26 -2.70 135.00 135.59 1xq4 s PRO 19 Ca 0.11 0.37 -0.18 0.00 0.02 0.00 0.00 61.00 61.32 1xq4 s PRO 19 Cb -0.19 -1.58 0.18 0.00 0.02 0.00 0.00 34.50 32.92 1xq4 s PRO 19 CO -0.09 -3.65 1.22 0.50 -0.33 0.00 0.00 177.00 174.65 1xq4 s ARG 20 N -4.95 0.06 0.50 5.54 3.52 -0.59 -4.90 118.95 118.12 1xq4 s ARG 20 Ca 0.68 0.14 -0.22 0.00 -0.13 0.00 0.00 55.73 56.20 1xq4 s ARG 20 Cb -0.17 0.08 -0.06 0.00 -1.56 0.00 0.00 34.95 33.23 1xq4 s ARG 20 CO 0.59 -0.05 1.19 -0.47 -0.81 0.00 0.00 175.30 175.75 1xq4 s TYR 21 N 2.57 2.70 -0.49 5.12 5.04 -1.26 -0.52 117.35 130.50 1xq4 s TYR 21 Ca -0.04 1.51 0.03 0.00 -2.44 0.00 0.00 57.07 56.13 1xq4 s TYR 21 Cb -0.05 -3.43 0.14 0.00 0.35 0.00 0.00 41.96 38.97 1xq4 s TYR 21 CO -0.12 -1.78 0.27 0.08 -1.34 0.00 0.00 175.55 172.66 1xq4 s VAL 22 N -1.56 1.92 0.15 3.14 1.01 -0.23 -4.82 120.40 120.00 1xq4 s VAL 22 Ca 0.68 -2.99 -0.16 0.00 0.00 0.00 0.00 61.98 59.51 1xq4 s VAL 22 Cb -0.29 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1xq4 s VAL 22 CO 0.35 -0.88 1.79 1.55 0.00 0.00 0.00 175.10 177.90 1xq4 h PRO 23 N 6.49 0.55 -0.02 2.72 0.13 -1.90 -2.64 132.00 137.33 1xq4 h PRO 23 Ca -0.01 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1xq4 h PRO 23 Cb 0.90 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1xq4 h PRO 23 CO 0.57 0.39 0.00 -0.85 -0.23 0.00 0.00 178.00 177.89 1xq4 n GLU 24 N -4.78 0.29 -0.87 0.86 0.00 -1.26 -1.61 120.64 113.28 1xq4 n GLU 24 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.18 1xq4 n GLU 24 Cb 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1xq4 n GLU 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1xq4 n GLN 25 N -0.45 0.00 -3.62 3.44 7.27 -1.00 -5.10 117.38 117.92 1xq4 n GLN 25 Ca 0.00 -1.25 -0.10 0.00 0.07 0.00 0.00 57.00 55.72 1xq4 n GLN 25 Cb 0.00 -0.23 -0.03 0.00 2.41 0.00 0.00 30.24 32.39 1xq4 n GLN 25 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1xq4 s SER 26 N -1.25 -0.33 -0.28 1.69 1.04 -0.63 -4.55 113.70 109.38 1xq4 s SER 26 Ca 0.12 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 1xq4 s SER 26 Cb 0.13 0.56 0.09 0.00 0.10 0.00 0.00 66.02 66.90 1xq4 s SER 26 CO -0.06 -0.98 0.10 -0.62 0.98 0.00 0.00 173.24 172.66 1xq4 s ASP 27 N -2.82 3.64 0.27 7.02 2.15 0.73 -4.89 116.67 122.77 1xq4 s ASP 27 Ca 0.05 -1.36 -0.01 0.00 0.43 0.00 0.00 52.55 51.66 1xq4 s ASP 27 Cb -0.00 -0.64 0.48 0.00 -0.30 0.00 0.00 42.92 42.46 1xq4 s ASP 27 CO -0.08 -0.40 1.84 -0.65 -0.17 0.00 0.00 175.17 175.71 1xq4 h PRO 28 N 8.23 0.97 -0.47 4.34 0.11 -1.94 0.67 132.00 143.91 1xq4 h PRO 28 Ca -0.16 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 65.99 1xq4 h PRO 28 Cb 1.03 -0.22 -0.10 0.00 0.11 0.00 0.00 31.00 31.83 1xq4 h PRO 28 CO 0.43 0.64 -0.23 0.77 -0.21 0.00 0.00 178.00 179.41 1xq4 h SER 29 N 1.00 -0.79 -0.07 -2.05 0.02 -1.94 0.67 113.55 110.39 1xq4 h SER 29 Ca 0.46 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 1xq4 h SER 29 Cb 0.37 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1xq4 h SER 29 CO -0.24 -0.25 0.00 1.67 -1.14 0.00 0.00 176.83 176.87 1xq4 n GLN 30 N -5.40 1.29 -2.40 3.45 -0.06 -0.89 -4.88 117.38 108.48 1xq4 n GLN 30 Ca 0.03 -0.43 -0.14 0.00 -2.00 0.00 0.00 57.00 54.46 1xq4 n GLN 30 Cb 0.31 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 25.20 1xq4 n GLN 30 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1xq4 n GLN 31 N -0.32 -1.71 -3.53 3.69 6.02 0.23 -4.97 117.38 116.79 1xq4 n GLN 31 Ca 0.13 0.65 -0.42 0.00 -0.01 0.00 0.00 57.00 57.36 1xq4 n GLN 31 Cb 0.16 -4.91 -0.06 0.00 1.02 0.00 0.00 30.24 26.45 1xq4 n GLN 31 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xq4 s GLN 32 N -4.86 2.95 -0.22 -1.09 -0.21 0.16 -3.98 119.66 112.41 1xq4 s GLN 32 Ca 0.06 -2.34 -0.11 0.00 0.02 0.00 0.00 55.36 52.99 1xq4 s GLN 32 Cb -0.02 -4.05 -0.05 0.00 1.00 0.00 0.00 33.01 29.89 1xq4 s GLN 32 CO 0.07 -1.23 0.19 0.71 -2.12 0.00 0.00 175.29 172.91 1xq4 s TYR 33 N 0.34 3.35 -0.19 0.91 2.02 0.59 -0.20 117.35 124.18 1xq4 s TYR 33 Ca 0.15 0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 57.15 1xq4 s TYR 33 Cb -0.18 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.10 1xq4 s TYR 33 CO -0.05 0.11 -0.13 0.08 -1.57 0.00 0.00 175.55 173.99 1xq4 s VAL 34 N 0.93 2.72 -0.08 0.71 1.01 -1.26 0.54 120.40 124.98 1xq4 s VAL 34 Ca 0.09 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1xq4 s VAL 34 Cb -0.13 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1xq4 s VAL 34 CO 0.04 0.49 -0.17 -0.36 0.00 0.00 0.00 175.10 175.09 1xq4 s PHE 35 N 1.24 2.65 0.24 5.22 0.40 -0.70 -1.07 117.98 125.96 1xq4 s PHE 35 Ca 0.03 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1xq4 s PHE 35 Cb -0.14 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 1xq4 s PHE 35 CO -0.06 -0.05 0.39 0.00 0.70 0.00 0.00 175.22 176.20 1xq4 s ALA 36 N -0.24 3.87 -0.25 5.36 0.00 0.32 0.43 121.76 131.26 1xq4 s ALA 36 Ca 0.00 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.73 1xq4 s ALA 36 Cb -0.13 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.19 1xq4 s ALA 36 CO 0.03 0.29 0.63 1.52 0.00 0.00 0.00 175.76 178.23 1xq4 s TYR 37 N -1.98 -0.82 0.02 0.00 -0.85 0.04 -1.55 117.35 112.21 1xq4 s TYR 37 Ca 0.36 1.82 0.01 0.00 -0.52 0.00 0.00 57.07 58.74 1xq4 s TYR 37 Cb -0.10 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 1xq4 s TYR 37 CO 0.30 -0.41 0.07 0.99 -1.52 0.00 0.00 175.55 174.98 1xq4 s THR 38 N 0.92 4.56 -0.02 -3.49 2.01 -1.10 -1.09 115.64 117.43 1xq4 s THR 38 Ca -0.05 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.47 1xq4 s THR 38 Cb -0.05 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 1xq4 s THR 38 CO -0.08 0.29 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.22 1xq4 s VAL 39 N -1.23 1.78 -0.24 3.82 1.01 0.11 -1.72 120.40 123.93 1xq4 s VAL 39 Ca 0.24 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1xq4 s VAL 39 Cb -0.12 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.83 1xq4 s VAL 39 CO 0.16 0.50 -0.09 -0.13 0.00 0.00 0.00 175.10 175.54 1xq4 s ARG 40 N -0.44 1.99 -0.24 2.72 0.52 0.14 -2.41 118.95 121.24 1xq4 s ARG 40 Ca 0.06 -1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 54.10 1xq4 s ARG 40 Cb -0.10 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 1xq4 s ARG 40 CO -0.00 -0.54 0.06 0.42 0.02 0.00 0.00 175.30 175.25 1xq4 s ILE 41 N 1.27 4.25 -0.04 1.52 1.01 -0.65 -1.62 121.20 126.94 1xq4 s ILE 41 Ca -0.06 -0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1xq4 s ILE 41 Cb -0.19 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 1xq4 s ILE 41 CO -0.06 0.36 -0.20 -0.89 0.00 0.00 0.00 174.94 174.14 1xq4 s THR 42 N 1.47 1.67 -0.63 2.92 2.01 -0.14 -0.52 115.64 122.41 1xq4 s THR 42 Ca 0.06 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 1xq4 s THR 42 Cb -0.15 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 70.96 1xq4 s THR 42 CO 0.03 0.47 1.35 0.21 -0.69 0.00 0.00 174.62 175.99 1xq4 s ASN 43 N -0.10 6.16 0.00 3.53 3.04 0.38 -0.60 114.94 127.34 1xq4 s ASN 43 Ca -0.02 -0.01 0.23 0.00 0.04 0.00 0.00 52.86 53.10 1xq4 s ASN 43 Cb -0.12 -2.55 0.48 0.00 -1.54 0.00 0.00 41.25 37.52 1xq4 s ASN 43 CO 0.02 -1.75 1.42 0.35 -3.04 0.00 0.00 177.10 174.11 1xq4 n THR 44 N 6.67 0.26 -2.47 -5.21 -2.24 -0.05 -0.90 114.28 110.34 1xq4 n THR 44 Ca 0.09 -0.56 -0.25 0.00 -2.27 0.00 0.00 64.05 61.06 1xq4 n THR 44 Cb 0.49 0.97 0.14 0.00 -2.10 0.00 0.00 70.33 69.83 1xq4 n THR 44 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xq4 s GLY 45 N -1.70 1.76 0.01 3.38 0.00 -0.02 -4.71 107.32 106.04 1xq4 s GLY 45 Ca 0.34 -1.74 0.24 0.00 0.00 0.00 0.00 44.72 43.56 1xq4 s GLY 45 CO 0.30 -1.08 1.23 -1.14 0.00 0.00 0.00 173.10 172.41 1xq4 n SER 46 N -3.09 0.66 -4.33 1.64 3.41 0.64 -4.61 113.62 107.94 1xq4 n SER 46 Ca 0.17 -0.47 -0.19 0.00 -0.26 0.00 0.00 58.87 58.11 1xq4 n SER 46 Cb 0.60 0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 64.97 1xq4 n SER 46 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xq4 s HIS 47 N -3.02 1.72 0.59 7.33 3.76 -0.23 -4.82 115.29 120.62 1xq4 s HIS 47 Ca 0.09 -0.54 -0.20 0.00 -0.15 0.00 0.00 55.06 54.26 1xq4 s HIS 47 Cb 0.17 -0.82 -0.03 0.00 1.11 0.00 0.00 32.58 33.00 1xq4 s HIS 47 CO 0.76 0.34 1.34 -2.14 -0.85 0.00 0.00 174.74 174.18 1xq4 s PRO 48 N -3.32 2.89 0.07 8.40 0.02 -1.26 -4.44 135.00 137.35 1xq4 s PRO 48 Ca 0.19 2.18 -0.06 0.00 0.02 0.00 0.00 61.00 63.33 1xq4 s PRO 48 Cb -0.03 -2.09 -0.01 0.00 0.02 0.00 0.00 34.50 32.40 1xq4 s PRO 48 CO 0.06 -1.37 0.12 0.00 -0.33 0.00 0.00 177.00 175.49 1xq4 s ALA 49 N -1.33 -0.04 0.00 -1.55 0.00 -0.90 -1.59 121.76 116.35 1xq4 s ALA 49 Ca 0.76 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1xq4 s ALA 49 Cb -0.40 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1xq4 s ALA 49 CO 0.45 -0.43 -0.07 -1.14 0.00 0.00 0.00 175.76 174.56 1xq4 s GLN 50 N -3.54 0.56 -0.20 0.00 0.74 -0.43 0.51 119.66 117.30 1xq4 s GLN 50 Ca 0.03 -0.32 -0.18 0.00 0.05 0.00 0.00 55.36 54.94 1xq4 s GLN 50 Cb 0.04 -0.53 -0.03 0.00 1.10 0.00 0.00 33.01 33.59 1xq4 s GLN 50 CO -0.09 0.14 0.51 0.08 -0.55 0.00 0.00 175.29 175.38 1xq4 s VAL 51 N -0.32 5.11 -0.13 1.34 1.01 -0.14 -1.81 120.40 125.47 1xq4 s VAL 51 Ca 0.01 0.93 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 1xq4 s VAL 51 Cb -0.04 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1xq4 s VAL 51 CO -0.00 0.18 -0.28 -0.38 0.00 0.00 0.00 175.10 174.62 1xq4 n ILE 52 N 4.55 1.44 -4.15 2.22 2.08 0.10 -4.02 119.36 121.59 1xq4 n ILE 52 Ca -0.05 0.18 -0.10 0.00 0.56 0.00 0.00 62.75 63.34 1xq4 n ILE 52 Cb 0.50 -2.19 -0.10 0.00 -0.75 0.00 0.00 39.64 37.10 1xq4 n ILE 52 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1xq4 s SER 53 N -5.96 0.57 0.20 4.38 1.04 -0.99 0.24 113.70 113.18 1xq4 s SER 53 Ca -0.24 -1.14 0.10 0.00 0.48 0.00 0.00 55.95 55.15 1xq4 s SER 53 Cb 0.04 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1xq4 s SER 53 CO 0.35 -0.65 -0.19 0.00 0.98 0.00 0.00 173.24 173.73 1xq4 s ARG 54 N -3.98 1.42 -0.06 4.02 1.70 -0.42 0.31 118.95 121.94 1xq4 s ARG 54 Ca 0.19 -1.54 -0.02 0.00 -0.47 0.00 0.00 55.73 53.89 1xq4 s ARG 54 Cb 0.07 -1.49 0.04 0.00 -0.57 0.00 0.00 34.95 33.00 1xq4 s ARG 54 CO -0.01 0.29 0.11 -1.58 -1.08 0.00 0.00 175.30 173.03 1xq4 s HIS 55 N -2.22 -0.07 0.01 5.89 2.46 -0.31 -2.28 115.29 118.76 1xq4 s HIS 55 Ca 0.21 0.40 0.07 0.00 0.47 0.00 0.00 55.06 56.21 1xq4 s HIS 55 Cb -0.05 -0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.11 1xq4 s HIS 55 CO 0.09 -0.19 -0.22 -1.58 -2.47 0.00 0.00 174.74 170.37 1xq4 s TRP 56 N 1.76 1.94 -0.34 3.88 0.52 0.67 -1.17 118.94 126.21 1xq4 s TRP 56 Ca -0.02 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.75 1xq4 s TRP 56 Cb -0.12 -1.22 0.10 0.00 -1.15 0.00 0.00 33.47 31.09 1xq4 s TRP 56 CO -0.05 0.02 0.08 0.42 0.02 0.00 0.00 176.95 177.44 1xq4 s ILE 57 N -0.62 1.74 -0.20 2.03 1.01 0.99 -1.35 121.20 124.80 1xq4 s ILE 57 Ca 0.08 -2.03 -0.12 0.00 0.00 0.00 0.00 60.65 58.59 1xq4 s ILE 57 Cb -0.09 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1xq4 s ILE 57 CO 0.00 -0.64 0.20 0.27 0.00 0.00 0.00 174.94 174.77 1xq4 s ILE 58 N 1.12 5.35 -0.08 2.92 -4.36 -0.47 -1.99 121.20 123.69 1xq4 s ILE 58 Ca 0.11 0.33 -0.03 0.00 -0.26 0.00 0.00 60.65 60.79 1xq4 s ILE 58 Cb -0.19 -3.54 -0.04 0.00 1.25 0.00 0.00 42.46 39.94 1xq4 s ILE 58 CO -0.14 0.39 0.06 -0.89 0.24 0.00 0.00 174.94 174.60 1xq4 s THR 59 N 0.65 4.79 0.59 8.37 2.01 0.13 -1.64 115.64 130.55 1xq4 s THR 59 Ca 0.11 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.90 1xq4 s THR 59 Cb -0.12 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1xq4 s THR 59 CO 0.02 0.56 0.96 -0.62 -0.69 0.00 0.00 174.62 174.86 1xq4 s ASP 60 N -1.09 6.11 0.60 3.53 3.68 0.15 -2.34 116.67 127.31 1xq4 s ASP 60 Ca 0.16 1.21 0.32 0.00 2.13 0.00 0.00 52.55 56.37 1xq4 s ASP 60 Cb -0.12 -2.30 1.90 0.00 -1.45 0.00 0.00 42.92 40.95 1xq4 s ASP 60 CO 0.05 -0.86 2.27 1.23 0.13 0.00 0.00 175.17 177.99 1xq4 h GLY 61 N -0.20 0.00 -3.65 2.66 0.00 -1.80 0.42 103.07 100.50 1xq4 h GLY 61 Ca -0.45 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.66 1xq4 h GLY 61 CO 0.62 0.00 0.27 1.18 0.00 0.00 0.00 176.54 178.61 1xq4 n GLU 62 N -3.74 3.71 -2.04 4.80 -0.58 -1.26 -4.90 120.64 116.63 1xq4 n GLU 62 Ca -0.03 -3.10 -0.19 0.00 -0.42 0.00 0.00 57.16 53.42 1xq4 n GLU 62 Cb 0.08 -2.22 -0.04 0.00 -0.57 0.00 0.00 31.44 28.70 1xq4 n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1xq4 n GLU 63 N -0.17 -1.42 -3.08 3.49 4.07 0.15 -4.95 120.64 118.73 1xq4 n GLU 63 Ca 0.41 1.00 -0.41 0.00 -0.06 0.00 0.00 57.16 58.10 1xq4 n GLU 63 Cb 1.39 -5.44 -0.06 0.00 -0.06 0.00 0.00 31.44 27.26 1xq4 n GLU 63 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1xq4 s ARG 64 N -4.41 4.13 0.36 5.31 0.52 -1.25 -4.70 118.95 118.90 1xq4 s ARG 64 Ca 0.00 0.62 -0.07 0.00 -0.52 0.00 0.00 55.73 55.76 1xq4 s ARG 64 Cb 0.00 -3.64 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1xq4 s ARG 64 CO 0.00 -0.41 0.66 0.08 0.02 0.00 0.00 175.30 175.66 1xq4 s VAL 65 N 2.48 4.92 -0.16 3.52 1.01 -1.26 0.32 120.40 131.22 1xq4 s VAL 65 Ca 0.28 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 1xq4 s VAL 65 Cb -0.15 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.54 1xq4 s VAL 65 CO 0.09 -0.46 0.37 -1.58 0.00 0.00 0.00 175.10 173.51 1xq4 s GLN 66 N -3.81 0.33 0.19 2.72 2.00 -0.65 -4.96 119.66 115.47 1xq4 s GLN 66 Ca 0.47 0.76 0.09 0.00 -2.00 0.00 0.00 55.36 54.68 1xq4 s GLN 66 Cb -0.10 -0.00 -0.04 0.00 0.80 0.00 0.00 33.01 33.66 1xq4 s GLN 66 CO 0.32 -0.18 -0.11 -1.21 -0.50 0.00 0.00 175.29 173.61 1xq4 s GLU 67 N 1.59 2.01 -0.01 1.67 2.02 -1.26 -1.37 118.70 123.35 1xq4 s GLU 67 Ca -0.08 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1xq4 s GLU 67 Cb -0.10 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 32.03 1xq4 s GLU 67 CO -0.12 0.42 -0.00 0.08 0.02 0.00 0.00 175.26 175.66 1xq4 s VAL 68 N -1.79 0.10 -0.04 2.63 1.01 -0.46 -4.98 120.40 116.88 1xq4 s VAL 68 Ca 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1xq4 s VAL 68 Cb -0.08 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.19 1xq4 s VAL 68 CO 0.15 0.07 0.07 -0.13 0.00 0.00 0.00 175.10 175.26 1xq4 s ARG 69 N 0.43 0.00 0.22 2.72 1.81 -1.26 -0.24 118.95 122.63 1xq4 s ARG 69 Ca -0.04 0.25 -0.22 0.00 -1.72 0.00 0.00 55.73 54.01 1xq4 s ARG 69 Cb -0.06 -0.23 0.06 0.00 -0.45 0.00 0.00 34.95 34.27 1xq4 s ARG 69 CO -0.01 -0.17 0.94 0.20 -0.68 0.00 0.00 175.30 175.58 1xq4 s GLY 70 N 1.12 0.02 -0.09 -3.53 0.00 -0.97 -5.03 107.32 98.84 1xq4 s GLY 70 Ca -0.09 -0.25 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 1xq4 s GLY 70 CO -0.04 0.83 0.24 1.08 0.00 0.00 0.00 173.10 175.21 1xq4 s LEU 71 N -3.14 4.40 0.15 0.66 1.43 -1.26 -1.30 118.68 119.63 1xq4 s LEU 71 Ca 0.16 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1xq4 s LEU 71 Cb -0.03 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1xq4 s LEU 71 CO 0.06 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.60 1xq4 n GLY 72 N 2.09 -1.82 3.04 -3.19 0.00 0.67 -4.68 105.19 101.30 1xq4 n GLY 72 Ca -0.17 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1xq4 n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xq4 s VAL 73 N -1.92 1.99 -1.50 1.61 -7.23 0.81 -4.33 120.40 109.84 1xq4 s VAL 73 Ca 0.00 -1.42 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 1xq4 s VAL 73 Cb 0.00 -2.09 0.07 0.00 0.56 0.00 0.00 36.38 34.92 1xq4 s VAL 73 CO 0.00 0.04 0.81 0.55 -0.31 0.00 0.00 175.10 176.19 1xq4 n VAL 74 N 4.52 -2.54 -1.12 1.32 3.14 -1.26 -1.65 118.33 120.75 1xq4 n VAL 74 Ca -0.14 -0.19 -0.04 0.00 -2.96 0.00 0.00 64.34 61.01 1xq4 n VAL 74 Cb 0.44 -2.82 -0.02 0.00 -1.06 0.00 0.00 33.84 30.38 1xq4 n VAL 74 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1xq4 n GLY 75 N -1.66 0.69 3.15 7.55 0.00 -1.26 -5.03 105.19 108.61 1xq4 n GLY 75 Ca -0.08 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 1xq4 n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xq4 s GLN 76 N -1.97 0.75 -0.48 1.61 -1.52 -0.66 -5.05 119.66 112.36 1xq4 s GLN 76 Ca 0.00 -0.94 0.07 0.00 -1.95 0.00 0.00 55.36 52.54 1xq4 s GLN 76 Cb 0.00 -0.64 0.26 0.00 -0.22 0.00 0.00 33.01 32.40 1xq4 s GLN 76 CO 0.00 0.13 0.62 1.04 -0.25 0.00 0.00 175.29 176.83 1xq4 n GLN 77 N 1.20 1.40 -1.63 2.91 6.02 -1.26 -0.13 117.38 125.88 1xq4 n GLN 77 Ca -0.21 -3.76 -0.43 0.00 -0.01 0.00 0.00 57.00 52.59 1xq4 n GLN 77 Cb 0.55 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 30.19 1xq4 n GLN 77 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1xq4 n PRO 78 N 1.11 1.62 -3.79 -1.09 -0.04 -1.26 -4.48 135.00 127.07 1xq4 n PRO 78 Ca 0.24 0.57 -0.36 0.00 -0.04 0.00 0.00 63.50 63.92 1xq4 n PRO 78 Cb 0.49 -2.04 -0.12 0.00 -0.04 0.00 0.00 33.50 31.79 1xq4 n PRO 78 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xq4 s LEU 79 N -0.23 5.18 -0.29 1.53 0.20 -1.26 -0.97 118.68 122.85 1xq4 s LEU 79 Ca 0.58 -2.26 -0.24 0.00 0.69 0.00 0.00 54.13 52.91 1xq4 s LEU 79 Cb -0.63 -1.81 -0.00 0.00 -0.43 0.00 0.00 46.19 43.32 1xq4 s LEU 79 CO 0.60 -0.48 0.81 -0.76 -0.29 0.00 0.00 176.35 176.23 1xq4 s LEU 80 N 0.81 4.07 0.69 -0.68 1.43 0.18 -4.87 118.68 120.32 1xq4 s LEU 80 Ca 0.11 0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 53.86 1xq4 s LEU 80 Cb -0.22 -3.12 0.02 0.00 0.03 0.00 0.00 46.19 42.89 1xq4 s LEU 80 CO -0.04 -0.59 1.14 0.00 0.23 0.00 0.00 176.35 177.09 1xq4 s ALA 81 N 2.94 2.34 0.20 4.21 0.00 -1.26 -2.12 121.76 128.07 1xq4 s ALA 81 Ca 0.33 0.64 -0.32 0.00 0.00 0.00 0.00 51.96 52.61 1xq4 s ALA 81 Cb -0.14 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 1xq4 s ALA 81 CO 0.11 -1.50 1.50 -0.35 0.00 0.00 0.00 175.76 175.52 1xq4 n PRO 82 N -2.56 2.12 0.00 0.00 -0.04 -1.26 -0.68 135.00 132.58 1xq4 n PRO 82 Ca 0.11 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 1xq4 n PRO 82 Cb 0.51 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1xq4 n PRO 82 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xq4 n GLY 83 N 2.76 2.52 3.88 0.55 0.00 -0.08 -5.00 105.19 109.83 1xq4 n GLY 83 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1xq4 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xq4 s GLU 84 N -0.72 3.66 -0.00 1.61 2.02 0.15 -4.74 118.70 120.67 1xq4 s GLU 84 Ca 0.00 0.47 -0.03 0.00 0.02 0.00 0.00 54.97 55.43 1xq4 s GLU 84 Cb 0.00 -2.29 -0.00 0.00 0.10 0.00 0.00 34.13 31.94 1xq4 s GLU 84 CO 0.00 -0.25 0.06 -0.08 0.02 0.00 0.00 175.26 175.01 1xq4 s THR 85 N -2.74 0.06 -0.07 3.63 -1.32 -1.26 -0.47 115.64 113.48 1xq4 s THR 85 Ca 0.51 -0.50 0.05 0.00 -1.21 0.00 0.00 61.69 60.55 1xq4 s THR 85 Cb -0.10 -0.26 -0.01 0.00 -1.51 0.00 0.00 72.50 70.62 1xq4 s THR 85 CO 0.42 -0.27 -0.24 0.12 -2.21 0.00 0.00 174.62 172.44 1xq4 s PHE 86 N -0.86 2.41 0.01 9.09 2.19 0.32 -4.95 117.98 126.20 1xq4 s PHE 86 Ca -0.09 -0.82 0.05 0.00 0.33 0.00 0.00 56.93 56.39 1xq4 s PHE 86 Cb -0.06 -1.60 -0.02 0.00 -1.31 0.00 0.00 43.02 40.04 1xq4 s PHE 86 CO 0.00 -0.29 -0.15 -1.83 1.83 0.00 0.00 175.22 174.79 1xq4 s GLU 87 N 0.04 1.10 0.19 10.12 -1.05 -1.26 -1.64 118.70 126.20 1xq4 s GLU 87 Ca -0.09 -0.65 -0.04 0.00 -0.15 0.00 0.00 54.97 54.03 1xq4 s GLU 87 Cb -0.15 -1.09 -0.03 0.00 -0.44 0.00 0.00 34.13 32.42 1xq4 s GLU 87 CO 0.05 0.29 0.20 1.52 0.95 0.00 0.00 175.26 178.27 1xq4 s TYR 88 N -0.58 0.88 -0.04 4.83 -0.85 -1.01 -4.95 117.35 115.62 1xq4 s TYR 88 Ca 0.04 -1.17 0.01 0.00 -0.52 0.00 0.00 57.07 55.44 1xq4 s TYR 88 Cb -0.07 -0.35 0.02 0.00 0.38 0.00 0.00 41.96 41.94 1xq4 s TYR 88 CO 0.00 -0.70 -0.06 0.99 -1.52 0.00 0.00 175.55 174.27 1xq4 s THR 89 N -4.10 0.62 0.41 -3.49 2.01 -1.26 0.04 115.64 109.88 1xq4 s THR 89 Ca 0.31 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.17 1xq4 s THR 89 Cb 0.05 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1xq4 s THR 89 CO 0.09 0.24 0.18 -0.44 -0.69 0.00 0.00 174.62 173.99 1xq4 s SER 90 N 0.75 2.71 0.34 3.53 0.01 -0.25 -4.95 113.70 115.85 1xq4 s SER 90 Ca -0.11 -1.75 0.09 0.00 1.31 0.00 0.00 55.95 55.49 1xq4 s SER 90 Cb -0.14 0.61 -0.06 0.00 0.21 0.00 0.00 66.02 66.65 1xq4 s SER 90 CO 0.01 -1.02 -0.05 -0.83 0.41 0.00 0.00 173.24 171.76 1xq4 s GLY 91 N -3.59 2.14 -0.21 3.44 0.00 -1.26 -0.78 107.32 107.06 1xq4 s GLY 91 Ca 0.25 -2.04 -0.04 0.00 0.00 0.00 0.00 44.72 42.90 1xq4 s GLY 91 CO 0.18 -1.98 0.27 0.00 0.00 0.00 0.00 173.10 171.57 1xq4 s PRO 93 N 2.40 4.11 -0.13 0.00 0.04 -1.26 -1.73 135.00 138.43 1xq4 s PRO 93 Ca 0.08 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.38 1xq4 s PRO 93 Cb -0.15 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 32.08 1xq4 s PRO 93 CO -0.13 -0.16 0.33 -0.51 0.04 0.00 0.00 177.00 176.57 1xq4 s LEU 94 N -2.96 0.50 0.32 -3.56 1.43 0.19 -4.97 118.68 109.62 1xq4 s LEU 94 Ca 0.61 0.68 0.16 0.00 -1.03 0.00 0.00 54.13 54.55 1xq4 s LEU 94 Cb -0.17 1.10 0.43 0.00 0.03 0.00 0.00 46.19 47.58 1xq4 s LEU 94 CO 0.21 -0.14 1.62 -0.65 0.23 0.00 0.00 176.35 177.62 1xq4 h PRO 95 N 6.24 0.00 -6.25 1.29 0.11 -1.85 0.17 132.00 131.71 1xq4 h PRO 95 Ca -0.31 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.22 1xq4 h PRO 95 Cb 1.18 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 1xq4 h PRO 95 CO 0.31 0.50 -0.67 0.95 -0.21 0.00 0.00 178.00 178.89 1xq4 s THR 96 N -3.40 3.35 -2.00 -1.15 -4.23 -1.26 -4.67 115.64 102.28 1xq4 s THR 96 Ca 0.01 -1.88 0.21 0.00 -1.18 0.00 0.00 61.69 58.84 1xq4 s THR 96 Cb 0.10 -2.76 0.60 0.00 1.34 0.00 0.00 72.50 71.79 1xq4 s THR 96 CO 0.72 -0.32 1.78 -0.81 -0.54 0.00 0.00 174.62 175.46 1xq4 n PRO 97 N -0.69 0.95 -3.79 3.99 -0.04 -1.26 -4.74 135.00 129.42 1xq4 n PRO 97 Ca -0.07 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1xq4 n PRO 97 Cb 0.58 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.59 1xq4 n PRO 97 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1xq4 s ILE 98 N -2.00 0.03 0.00 0.52 -4.36 -1.26 -4.12 121.20 110.02 1xq4 s ILE 98 Ca 0.32 -0.26 -0.29 0.00 -0.26 0.00 0.00 60.65 60.15 1xq4 s ILE 98 Cb 0.15 -0.46 0.11 0.00 1.25 0.00 0.00 42.46 43.51 1xq4 s ILE 98 CO 0.25 -0.14 1.26 -0.83 0.24 0.00 0.00 174.94 175.71 1xq4 s GLY 99 N -0.56 -0.31 0.00 6.27 0.00 -0.74 -2.39 107.32 109.58 1xq4 s GLY 99 Ca -0.07 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1xq4 s GLY 99 CO 0.02 1.50 0.00 -1.30 0.00 0.00 0.00 173.10 173.31 1xq4 n THR 100 N -0.60 0.00 0.00 0.90 -2.24 -0.99 0.59 114.28 111.95 1xq4 n THR 100 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1xq4 n THR 100 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1xq4 n THR 100 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1xq4 n ARG 102 N 0.00 0.00 0.00 -0.78 1.85 -0.84 0.23 116.66 117.11 1xq4 n ARG 102 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1xq4 n ARG 102 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1xq4 n ARG 102 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xq4 n GLY 103 N -0.89 2.63 3.18 2.89 0.00 -0.92 -0.01 105.19 112.08 1xq4 n GLY 103 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1xq4 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xq4 s THR 104 N -2.63 0.07 -0.08 2.61 2.01 -0.31 0.14 115.64 117.43 1xq4 s THR 104 Ca 0.00 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1xq4 s THR 104 Cb 0.00 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 1xq4 s THR 104 CO 0.00 -0.31 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.07 1xq4 s TYR 105 N -1.34 2.51 -0.24 4.92 2.02 -0.61 -1.16 117.35 123.45 1xq4 s TYR 105 Ca -0.14 -0.91 -0.16 0.00 -0.37 0.00 0.00 57.07 55.49 1xq4 s TYR 105 Cb -0.06 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 1xq4 s TYR 105 CO 0.03 -0.33 0.41 -1.01 -1.57 0.00 0.00 175.55 173.08 1xq4 s HIS 106 N 0.12 3.31 0.37 2.71 3.76 0.15 -2.15 115.29 123.56 1xq4 s HIS 106 Ca -0.12 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 55.37 1xq4 s HIS 106 Cb -0.16 -2.57 -0.06 0.00 1.11 0.00 0.00 32.58 30.90 1xq4 s HIS 106 CO 0.07 -0.14 0.06 0.00 -0.85 0.00 0.00 174.74 173.88 1xq4 s VAL 108 N -3.15 -0.01 0.79 0.00 -7.23 -0.75 0.15 120.40 110.21 1xq4 s VAL 108 Ca 0.31 0.03 -0.12 0.00 -1.81 0.00 0.00 61.98 60.40 1xq4 s VAL 108 Cb 0.07 -0.05 0.07 0.00 0.56 0.00 0.00 36.38 37.03 1xq4 s VAL 108 CO 0.15 0.01 1.13 -0.83 -0.31 0.00 0.00 175.10 175.24 1xq4 s GLY 109 N 0.16 1.61 0.60 2.32 0.00 -0.40 -1.32 107.32 110.28 1xq4 s GLY 109 Ca -0.01 -0.42 0.30 0.00 0.00 0.00 0.00 44.72 44.59 1xq4 s GLY 109 CO -0.00 0.03 2.14 1.05 0.00 0.00 0.00 173.10 176.32 1xq4 h GLU 110 N -1.01 0.00 0.00 2.90 4.11 -1.64 0.50 114.58 119.43 1xq4 h GLU 110 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1xq4 h GLU 110 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1xq4 h GLU 110 CO 0.63 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.98 1xq4 n ASN 111 N -3.74 0.00 0.00 3.06 6.94 -1.26 -4.88 115.26 115.38 1xq4 n ASN 111 Ca 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 54.58 53.28 1xq4 n ASN 111 Cb 0.26 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 1xq4 n ASN 111 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xq4 n GLY 112 N 0.61 2.95 3.71 4.83 0.00 0.17 -5.00 105.19 112.46 1xq4 n GLY 112 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1xq4 n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xq4 s ILE 113 N -1.66 3.60 0.35 -0.61 -4.36 -1.26 -4.65 121.20 112.62 1xq4 s ILE 113 Ca 0.00 1.11 -0.23 0.00 -0.26 0.00 0.00 60.65 61.27 1xq4 s ILE 113 Cb 0.00 -3.71 -0.10 0.00 1.25 0.00 0.00 42.46 39.90 1xq4 s ILE 113 CO 0.00 0.06 0.91 -2.16 0.24 0.00 0.00 174.94 173.99 1xq4 s PRO 114 N 1.49 4.40 0.15 0.37 0.04 -1.26 -1.28 135.00 138.91 1xq4 s PRO 114 Ca 0.63 1.17 -0.07 0.00 0.04 0.00 0.00 61.00 62.77 1xq4 s PRO 114 Cb -0.33 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 1xq4 s PRO 114 CO 0.29 0.18 0.21 -0.59 0.04 0.00 0.00 177.00 177.13 1xq4 s PHE 115 N -1.81 0.49 -0.06 0.56 -0.12 0.12 -4.94 117.98 112.21 1xq4 s PHE 115 Ca 0.54 -0.86 0.03 0.00 -0.05 0.00 0.00 56.93 56.58 1xq4 s PHE 115 Cb -0.15 -0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.05 1xq4 s PHE 115 CO 0.20 -0.65 -0.14 -1.21 -0.05 0.00 0.00 175.22 173.37 1xq4 s GLU 116 N -3.98 2.63 -0.26 1.99 2.02 -1.26 -0.95 118.70 118.89 1xq4 s GLU 116 Ca 0.17 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.50 1xq4 s GLU 116 Cb 0.05 -2.42 0.06 0.00 0.10 0.00 0.00 34.13 31.91 1xq4 s GLU 116 CO -0.01 0.57 -0.10 0.54 0.02 0.00 0.00 175.26 176.28 1xq4 s VAL 117 N -0.59 2.25 0.59 2.63 0.11 -0.91 -5.00 120.40 119.48 1xq4 s VAL 117 Ca 0.09 -1.56 -0.14 0.00 -2.93 0.00 0.00 61.98 57.43 1xq4 s VAL 117 Cb -0.11 -2.30 -0.05 0.00 -1.53 0.00 0.00 36.38 32.39 1xq4 s VAL 117 CO 0.01 0.00 1.02 -2.16 -3.33 0.00 0.00 175.10 170.65 1xq4 s PRO 118 N 1.13 3.57 -0.33 1.54 0.04 -1.26 -1.58 135.00 138.11 1xq4 s PRO 118 Ca -0.08 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 1xq4 s PRO 118 Cb -0.20 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.32 1xq4 s PRO 118 CO -0.05 -0.59 0.07 0.42 0.04 0.00 0.00 177.00 176.88 1xq4 s ILE 119 N -2.80 3.30 0.39 0.56 1.01 0.12 -4.83 121.20 118.96 1xq4 s ILE 119 Ca 0.59 -1.40 -0.27 0.00 0.00 0.00 0.00 60.65 59.57 1xq4 s ILE 119 Cb -0.12 -2.94 -0.11 0.00 0.01 0.00 0.00 42.46 39.30 1xq4 s ILE 119 CO 0.42 -0.22 1.37 0.00 0.00 0.00 0.00 174.94 176.51 1xq4 n ALA 120 N 4.68 1.73 -1.66 9.38 0.00 -1.26 -2.16 120.51 131.22 1xq4 n ALA 120 Ca -0.11 0.31 -0.45 0.00 0.00 0.00 0.00 53.44 53.19 1xq4 n ALA 120 Cb 0.43 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.52 1xq4 n ALA 120 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xq4 n GLU 121 N 0.25 2.52 -4.50 0.00 2.13 -1.26 -4.75 120.64 115.03 1xq4 n GLU 121 Ca 0.04 0.92 -0.24 0.00 0.66 0.00 0.00 57.16 58.54 1xq4 n GLU 121 Cb 0.39 -2.87 -0.11 0.00 0.27 0.00 0.00 31.44 29.12 1xq4 n GLU 121 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1xq4 s PHE 122 N 4.55 2.21 0.29 4.31 -0.71 -1.26 -5.01 117.98 122.36 1xq4 s PHE 122 Ca 0.91 -0.66 0.09 0.00 -1.04 0.00 0.00 56.93 56.24 1xq4 s PHE 122 Cb -0.54 -1.34 -0.04 0.00 -1.21 0.00 0.00 43.02 39.88 1xq4 s PHE 122 CO 0.46 0.38 0.02 -0.48 -1.34 0.00 0.00 175.22 174.26 1xq4 s LEU 123 N -3.55 3.16 -0.05 -1.99 2.34 -1.26 -4.34 118.68 112.99 1xq4 s LEU 123 Ca 0.32 -0.73 0.06 0.00 0.06 0.00 0.00 54.13 53.85 1xq4 s LEU 123 Cb 0.05 -1.65 -0.01 0.00 -0.56 0.00 0.00 46.19 44.02 1xq4 s LEU 123 CO 0.15 -0.08 -0.24 -0.76 -1.06 0.00 0.00 176.35 174.35 1xq4 s LEU 124 N -3.71 2.13 0.00 1.48 1.43 0.20 -4.80 118.68 115.41 1xq4 s LEU 124 Ca 0.33 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1xq4 s LEU 124 Cb -0.05 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1xq4 s LEU 124 CO 0.20 0.27 0.00 0.00 0.23 0.00 0.00 176.35 177.05 1xq4 n ALA 125 N 2.81 0.00 -0.07 4.21 0.00 -1.26 -1.79 120.51 124.40 1xq4 n ALA 125 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1xq4 n ALA 125 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.87 1xq4 n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xq4 n PRO 127 N 0.00 1.45 0.00 0.00 -0.04 -1.26 -4.59 135.00 130.55 1xq4 n PRO 127 Ca 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1xq4 n PRO 127 Cb 0.00 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1xq4 n PRO 127 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00