#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xt4 s VAL 3 N 0.00 4.40 -0.01 0.00 1.01 -1.26 -4.88 120.40 119.65 1xt4 s VAL 3 Ca 0.00 1.53 0.11 0.00 0.00 0.00 0.00 61.98 63.62 1xt4 s VAL 3 Cb 0.00 -4.49 -0.22 0.00 0.00 0.00 0.00 36.38 31.67 1xt4 s VAL 3 CO 0.00 -0.68 0.80 0.11 0.00 0.00 0.00 175.10 175.33 1xt4 h LYS 4 N 8.53 0.00 -2.04 2.72 1.79 -2.06 -3.48 116.57 122.03 1xt4 h LYS 4 Ca -0.21 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.20 1xt4 h LYS 4 Cb 1.06 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.51 1xt4 h LYS 4 CO 1.07 0.59 0.16 0.00 -1.08 0.00 0.00 179.45 180.19 1xt4 s ALA 5 N -2.63 -1.74 -0.22 3.86 0.00 -1.26 -5.17 121.76 114.60 1xt4 s ALA 5 Ca -0.03 1.47 -0.19 0.00 0.00 0.00 0.00 51.96 53.20 1xt4 s ALA 5 Cb 0.08 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.97 1xt4 s ALA 5 CO 0.82 -0.36 0.58 0.00 0.00 0.00 0.00 175.76 176.81 1xt4 s ALA 6 N -0.79 -1.46 -0.09 0.00 0.00 -1.26 -5.15 121.76 113.00 1xt4 s ALA 6 Ca -0.08 1.73 -0.20 0.00 0.00 0.00 0.00 51.96 53.41 1xt4 s ALA 6 Cb -0.01 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.14 1xt4 s ALA 6 CO 0.08 -0.29 0.47 -0.98 0.00 0.00 0.00 175.76 175.04 1xt4 s ARG 7 N 0.56 0.72 0.09 0.00 1.70 -1.26 -4.61 118.95 116.15 1xt4 s ARG 7 Ca -0.02 0.28 -0.17 0.00 -0.47 0.00 0.00 55.73 55.35 1xt4 s ARG 7 Cb -0.05 0.34 0.04 0.00 -0.57 0.00 0.00 34.95 34.71 1xt4 s ARG 7 CO -0.03 -0.17 0.42 1.52 -1.08 0.00 0.00 175.30 175.96 1xt4 s TYR 8 N -0.64 -0.24 -2.34 5.89 1.13 -0.96 -4.91 117.35 115.27 1xt4 s TYR 8 Ca -0.07 0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.63 1xt4 s TYR 8 Cb -0.03 0.26 0.00 0.00 -1.10 0.00 0.00 41.96 41.08 1xt4 s TYR 8 CO 0.04 -0.66 0.00 0.41 -2.51 0.00 0.00 175.55 172.83 1xt4 n GLY 9 N 0.05 -0.65 3.24 5.49 0.00 -1.26 0.41 105.19 112.47 1xt4 n GLY 9 Ca -0.17 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1xt4 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xt4 s LYS 10 N -0.94 2.78 0.27 1.61 2.47 -0.09 -4.85 119.74 120.99 1xt4 s LYS 10 Ca 0.00 -0.89 0.10 0.00 -1.56 0.00 0.00 55.97 53.62 1xt4 s LYS 10 Cb 0.00 -2.22 -0.05 0.00 -1.46 0.00 0.00 37.83 34.10 1xt4 s LYS 10 CO 0.00 0.29 -0.08 0.34 0.16 0.00 0.00 175.35 176.06 1xt4 s ASP 11 N 0.07 4.17 -1.42 1.43 2.15 -1.26 -1.25 116.67 120.56 1xt4 s ASP 11 Ca -0.11 -0.79 -0.09 0.00 0.43 0.00 0.00 52.55 51.99 1xt4 s ASP 11 Cb -0.16 -0.63 0.02 0.00 -0.30 0.00 0.00 42.92 41.85 1xt4 s ASP 11 CO 0.06 0.02 1.06 0.59 -0.17 0.00 0.00 175.17 176.73 1xt4 n ASN 12 N -0.76 -6.08 -4.54 -0.34 3.02 -1.16 -4.95 115.26 100.45 1xt4 n ASN 12 Ca -0.06 -0.54 -0.43 0.00 -0.03 0.00 0.00 54.58 53.52 1xt4 n ASN 12 Cb 0.59 -4.81 -0.05 0.00 -0.61 0.00 0.00 39.78 34.90 1xt4 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xt4 s VAL 13 N -3.29 4.55 0.03 2.41 1.01 -0.52 -4.86 120.40 119.74 1xt4 s VAL 13 Ca 0.56 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.72 1xt4 s VAL 13 Cb -0.25 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.68 1xt4 s VAL 13 CO 0.69 -0.84 0.78 -0.13 0.00 0.00 0.00 175.10 175.60 1xt4 s ARG 14 N 3.53 4.50 -0.01 2.72 0.52 -1.26 -0.04 118.95 128.90 1xt4 s ARG 14 Ca 0.31 1.09 0.01 0.00 -0.52 0.00 0.00 55.73 56.62 1xt4 s ARG 14 Cb -0.12 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 31.98 1xt4 s ARG 14 CO 0.22 0.23 -0.04 0.08 0.02 0.00 0.00 175.30 175.82 1xt4 s VAL 15 N 0.12 0.34 -0.02 3.52 1.01 -0.09 -4.99 120.40 120.29 1xt4 s VAL 15 Ca 0.40 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1xt4 s VAL 15 Cb -0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1xt4 s VAL 15 CO 0.23 0.13 -0.20 -0.47 0.00 0.00 0.00 175.10 174.79 1xt4 s TYR 16 N 0.28 1.82 -0.02 5.22 6.14 -1.26 -0.89 117.35 128.63 1xt4 s TYR 16 Ca -0.03 -0.38 0.01 0.00 0.64 0.00 0.00 57.07 57.31 1xt4 s TYR 16 Cb -0.06 -1.18 0.01 0.00 0.42 0.00 0.00 41.96 41.15 1xt4 s TYR 16 CO -0.00 -0.06 -0.03 0.21 0.64 0.00 0.00 175.55 176.30 1xt4 s LYS 17 N -0.37 0.47 -0.10 4.97 2.20 0.47 -4.98 119.74 122.40 1xt4 s LYS 17 Ca 0.05 -0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.58 1xt4 s LYS 17 Cb -0.09 -0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 35.68 1xt4 s LYS 17 CO -0.00 -0.03 -0.04 0.54 -0.36 0.00 0.00 175.35 175.46 1xt4 s VAL 18 N 0.55 3.89 -0.18 4.02 0.11 -1.26 -0.35 120.40 127.18 1xt4 s VAL 18 Ca -0.06 -0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1xt4 s VAL 18 Cb -0.09 -2.63 -0.02 0.00 -1.53 0.00 0.00 36.38 32.10 1xt4 s VAL 18 CO -0.01 0.57 -0.04 -2.28 -3.33 0.00 0.00 175.10 170.01 1xt4 s HIS 19 N -0.44 2.98 -0.29 1.54 2.46 0.16 -4.96 115.29 116.73 1xt4 s HIS 19 Ca 0.07 -0.56 -0.03 0.00 0.47 0.00 0.00 55.06 55.01 1xt4 s HIS 19 Cb -0.12 -2.01 0.04 0.00 -0.13 0.00 0.00 32.58 30.35 1xt4 s HIS 19 CO 0.02 -0.25 0.01 0.15 -2.47 0.00 0.00 174.74 172.20 1xt4 s LYS 20 N 0.82 2.67 -0.52 2.88 1.02 -1.26 -0.48 119.74 124.88 1xt4 s LYS 20 Ca -0.01 -1.11 -0.28 0.00 0.02 0.00 0.00 55.97 54.59 1xt4 s LYS 20 Cb -0.15 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 1xt4 s LYS 20 CO 0.02 -0.54 1.33 0.34 -0.92 0.00 0.00 175.35 175.57 1xt4 s ASP 21 N 1.34 6.32 0.39 2.83 2.15 -0.24 -4.88 116.67 124.58 1xt4 s ASP 21 Ca -0.02 0.41 0.08 0.00 0.43 0.00 0.00 52.55 53.45 1xt4 s ASP 21 Cb -0.18 -2.55 0.80 0.00 -0.30 0.00 0.00 42.92 40.69 1xt4 s ASP 21 CO -0.01 -1.53 1.98 1.05 -0.17 0.00 0.00 175.17 176.49 1xt4 h GLU 22 N 10.39 0.40 0.00 4.34 4.11 -1.95 0.14 114.58 132.00 1xt4 h GLU 22 Ca -0.26 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1xt4 h GLU 22 Cb 1.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1xt4 h GLU 22 CO 1.15 0.38 0.00 1.63 0.07 0.00 0.00 179.01 182.24 1xt4 n LYS 23 N -4.37 0.00 0.23 1.06 4.01 -1.26 -3.96 118.16 113.87 1xt4 n LYS 23 Ca 0.01 0.00 0.16 0.00 -0.51 0.00 0.00 58.31 57.97 1xt4 n LYS 23 Cb 0.17 -0.98 0.71 0.00 -0.51 0.00 0.00 35.03 34.42 1xt4 n LYS 23 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 1xt4 h THR 24 N 0.00 0.00 0.00 -0.18 1.35 -1.99 -3.46 112.91 108.63 1xt4 h THR 24 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1xt4 h THR 24 Cb 0.00 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1xt4 h THR 24 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1xt4 n GLY 25 N -0.37 0.85 3.71 5.82 0.00 0.47 -5.00 105.19 110.68 1xt4 n GLY 25 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1xt4 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xt4 s VAL 26 N -3.52 4.23 0.01 1.61 1.01 -1.24 -4.80 120.40 117.70 1xt4 s VAL 26 Ca 0.00 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.63 1xt4 s VAL 26 Cb 0.00 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1xt4 s VAL 26 CO 0.00 0.13 -0.05 -1.10 0.00 0.00 0.00 175.10 174.08 1xt4 s GLN 27 N 0.97 2.60 -0.06 2.72 -0.21 0.24 -1.08 119.66 124.84 1xt4 s GLN 27 Ca 0.57 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 55.25 1xt4 s GLN 27 Cb -0.27 -2.54 0.02 0.00 1.00 0.00 0.00 33.01 31.22 1xt4 s GLN 27 CO 0.29 0.60 -0.07 0.99 -2.12 0.00 0.00 175.29 174.98 1xt4 s THR 28 N -1.03 0.79 0.11 -0.19 2.01 0.37 -4.63 115.64 113.07 1xt4 s THR 28 Ca 0.18 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1xt4 s THR 28 Cb -0.11 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 1xt4 s THR 28 CO 0.09 0.28 -0.04 0.68 -0.69 0.00 0.00 174.62 174.94 1xt4 s VAL 29 N 0.90 3.75 -0.04 3.82 -7.23 -1.26 0.37 120.40 120.72 1xt4 s VAL 29 Ca -0.11 -1.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1xt4 s VAL 29 Cb -0.15 -2.79 0.02 0.00 0.56 0.00 0.00 36.38 34.02 1xt4 s VAL 29 CO 0.01 0.09 -0.06 -0.31 -0.31 0.00 0.00 175.10 174.52 1xt4 s TYR 30 N -1.33 0.84 -0.04 2.82 2.02 0.53 -4.87 117.35 117.32 1xt4 s TYR 30 Ca 0.24 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 1xt4 s TYR 30 Cb -0.11 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.75 1xt4 s TYR 30 CO 0.17 -0.19 -0.08 -2.00 -1.57 0.00 0.00 175.55 171.87 1xt4 s GLU 31 N 0.83 1.07 0.20 -0.62 2.12 -1.26 -0.39 118.70 120.63 1xt4 s GLU 31 Ca -0.12 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 54.85 1xt4 s GLU 31 Cb -0.14 -0.98 -0.01 0.00 0.26 0.00 0.00 34.13 33.25 1xt4 s GLU 31 CO 0.01 0.05 0.31 0.00 -0.54 0.00 0.00 175.26 175.09 1xt4 s MET 32 N 0.46 1.28 -0.10 4.30 0.23 -0.07 -1.50 119.30 123.90 1xt4 s MET 32 Ca -0.08 -1.29 0.03 0.00 -1.03 0.00 0.00 55.69 53.33 1xt4 s MET 32 Cb -0.11 0.38 0.01 0.00 -1.53 0.00 0.00 34.83 33.57 1xt4 s MET 32 CO 0.01 -0.48 -0.20 0.99 -2.03 0.00 0.00 175.02 173.31 1xt4 s THR 33 N -4.02 1.77 -0.03 3.16 2.01 0.62 -0.91 115.64 118.24 1xt4 s THR 33 Ca 0.23 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.46 1xt4 s THR 33 Cb 0.03 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 1xt4 s THR 33 CO 0.05 0.49 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.56 1xt4 s VAL 34 N 0.54 2.33 -0.05 3.82 1.01 0.94 -1.04 120.40 127.95 1xt4 s VAL 34 Ca -0.15 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 60.87 1xt4 s VAL 34 Cb -0.17 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1xt4 s VAL 34 CO 0.05 0.58 -0.18 0.00 0.00 0.00 0.00 175.10 175.55 1xt4 s VAL 36 N 0.13 0.71 -0.08 0.00 1.01 -0.38 0.00 120.40 121.79 1xt4 s VAL 36 Ca -0.07 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1xt4 s VAL 36 Cb -0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1xt4 s VAL 36 CO 0.03 0.31 -0.21 -0.76 0.00 0.00 0.00 175.10 174.47 1xt4 s LEU 37 N 1.68 2.31 0.14 3.92 1.43 0.30 -0.91 118.68 127.55 1xt4 s LEU 37 Ca 0.02 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1xt4 s LEU 37 Cb -0.13 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1xt4 s LEU 37 CO -0.05 0.23 0.02 -0.76 0.23 0.00 0.00 176.35 176.01 1xt4 s LEU 38 N -0.04 3.45 0.12 1.79 1.43 0.16 -0.37 118.68 125.22 1xt4 s LEU 38 Ca -0.06 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1xt4 s LEU 38 Cb -0.15 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1xt4 s LEU 38 CO 0.05 0.12 -0.10 -1.61 0.23 0.00 0.00 176.35 175.03 1xt4 s GLU 39 N -2.72 0.95 0.00 1.70 2.02 0.04 -2.28 118.70 118.41 1xt4 s GLU 39 Ca 0.27 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.96 1xt4 s GLU 39 Cb -0.10 -0.58 0.00 0.00 0.10 0.00 0.00 34.13 33.55 1xt4 s GLU 39 CO 0.19 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.96 1xt4 n GLY 40 N 0.20 -0.66 2.84 -1.39 0.00 -1.26 -0.98 105.19 103.93 1xt4 n GLY 40 Ca -0.13 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1xt4 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xt4 n GLU 41 N 0.00 3.60 0.00 1.61 1.02 0.14 -4.53 120.64 122.48 1xt4 n GLU 41 Ca 0.00 -3.47 0.00 0.00 -0.02 0.00 0.00 57.16 53.67 1xt4 n GLU 41 Cb 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 28.48 1xt4 n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xt4 n ILE 42 N 3.38 0.80 -0.35 -3.67 -5.35 -1.26 -4.71 119.36 108.20 1xt4 n ILE 42 Ca 0.41 -0.84 0.10 0.00 -0.27 0.00 0.00 62.75 62.15 1xt4 n ILE 42 Cb 0.36 0.61 0.28 0.00 -1.74 0.00 0.00 39.64 39.15 1xt4 n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1xt4 h GLU 43 N 0.00 0.78 0.00 6.28 3.07 -1.98 -0.58 114.58 122.14 1xt4 h GLU 43 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1xt4 h GLU 43 Cb 0.51 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1xt4 h GLU 43 CO 0.00 0.51 0.00 1.79 -1.40 0.00 0.00 179.01 179.91 1xt4 h THR 44 N 0.80 0.00 -0.08 1.13 1.35 -1.89 -0.55 112.91 113.67 1xt4 h THR 44 Ca 0.54 -0.20 -0.09 0.00 -0.55 0.00 0.00 66.41 66.11 1xt4 h THR 44 Cb 0.75 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1xt4 h THR 44 CO -0.35 0.00 -0.36 0.77 -0.25 0.00 0.00 175.52 175.33 1xt4 h SER 45 N 0.00 0.17 0.08 5.36 4.64 -1.12 0.23 113.55 122.91 1xt4 h SER 45 Ca 0.00 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.08 1xt4 h SER 45 Cb 0.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1xt4 h SER 45 CO 0.00 0.52 -0.91 1.88 -0.87 0.00 0.00 176.83 177.45 1xt4 h TYR 46 N 0.14 0.31 0.07 4.77 -1.99 -1.28 -3.24 116.97 115.76 1xt4 h TYR 46 Ca 0.02 -0.23 -0.26 0.00 2.00 0.00 0.00 58.73 60.25 1xt4 h TYR 46 Cb 0.70 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 1xt4 h TYR 46 CO 0.01 1.35 -1.30 1.79 -0.00 0.00 0.00 178.16 180.02 1xt4 h THR 47 N -0.57 1.40 0.00 -2.88 1.35 -1.15 -3.39 112.91 107.66 1xt4 h THR 47 Ca -0.20 -3.07 0.00 0.00 -0.55 0.00 0.00 66.41 62.60 1xt4 h THR 47 Cb 1.50 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.73 1xt4 h THR 47 CO 0.04 0.86 0.00 0.29 -0.25 0.00 0.00 175.52 176.45 1xt4 n LYS 48 N -3.40 1.58 -2.84 4.72 4.76 0.01 -4.98 118.16 118.02 1xt4 n LYS 48 Ca -0.09 -1.14 -0.22 0.00 -2.87 0.00 0.00 58.31 54.00 1xt4 n LYS 48 Cb 1.01 -0.99 0.02 0.00 -1.84 0.00 0.00 35.03 33.23 1xt4 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xt4 n ALA 49 N -0.32 -0.87 -3.18 7.82 0.00 -1.06 -4.93 120.51 117.97 1xt4 n ALA 49 Ca 0.00 0.26 -0.45 0.00 0.00 0.00 0.00 53.44 53.25 1xt4 n ALA 49 Cb 0.17 -3.43 -0.05 0.00 0.00 0.00 0.00 19.45 16.14 1xt4 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xt4 s ASP 50 N -2.53 6.22 0.00 0.00 2.15 -0.87 -4.89 116.67 116.75 1xt4 s ASP 50 Ca 0.22 -1.62 0.30 0.00 0.43 0.00 0.00 52.55 51.88 1xt4 s ASP 50 Cb -0.10 -2.27 1.41 0.00 -0.30 0.00 0.00 42.92 41.66 1xt4 s ASP 50 CO 0.27 -1.01 1.98 0.59 -0.17 0.00 0.00 175.17 176.83 1xt4 n ASN 51 N 5.88 0.18 0.31 -0.34 3.02 -1.26 -3.43 115.26 119.63 1xt4 n ASN 51 Ca -0.10 -0.32 0.18 0.00 -0.03 0.00 0.00 54.58 54.31 1xt4 n ASN 51 Cb 0.42 -0.19 1.02 0.00 -0.61 0.00 0.00 39.78 40.42 1xt4 n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1xt4 h SER 52 N 0.20 0.00 0.51 6.41 4.64 -1.98 0.47 113.55 123.80 1xt4 h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xt4 h SER 52 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1xt4 h SER 52 CO 0.00 0.01 -0.37 1.33 -0.87 0.00 0.00 176.83 176.93 1xt4 n VAL 53 N -3.54 0.00 -3.07 0.95 0.24 -1.25 -4.88 118.33 106.79 1xt4 n VAL 53 Ca -0.03 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.84 1xt4 n VAL 53 Cb 0.09 0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.55 1xt4 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xt4 s ILE 54 N -2.87 4.96 -0.51 1.34 1.01 0.15 -4.92 121.20 120.35 1xt4 s ILE 54 Ca 0.15 1.22 -0.25 0.00 0.00 0.00 0.00 60.65 61.77 1xt4 s ILE 54 Cb 0.18 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.71 1xt4 s ILE 54 CO 0.63 0.01 0.97 -0.69 0.00 0.00 0.00 174.94 175.87 1xt4 s VAL 55 N 2.55 4.37 0.25 2.92 1.01 -1.26 -5.01 120.40 125.24 1xt4 s VAL 55 Ca 0.28 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1xt4 s VAL 55 Cb -0.15 -4.52 -0.15 0.00 0.00 0.00 0.00 36.38 31.56 1xt4 s VAL 55 CO 0.08 -1.01 0.96 0.00 0.00 0.00 0.00 175.10 175.14 1xt4 n ALA 56 N 7.46 -0.77 0.13 5.51 0.00 -1.26 -4.82 120.51 126.76 1xt4 n ALA 56 Ca 0.05 0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.95 1xt4 n ALA 56 Cb 0.48 -1.95 0.49 0.00 0.00 0.00 0.00 19.45 18.47 1xt4 n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xt4 h THR 57 N 1.96 1.09 -0.47 0.00 1.35 -1.95 0.37 112.91 115.26 1xt4 h THR 57 Ca -0.38 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.18 1xt4 h THR 57 Cb 1.36 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1xt4 h THR 57 CO 0.62 0.10 0.20 -0.78 -0.25 0.00 0.00 175.52 175.41 1xt4 h ASP 58 N 0.26 0.59 0.10 5.36 3.58 -1.94 -1.07 116.42 123.31 1xt4 h ASP 58 Ca 0.07 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1xt4 h ASP 58 Cb 0.08 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1xt4 h ASP 58 CO -0.01 0.53 -0.46 0.28 -2.88 0.00 0.00 179.24 176.71 1xt4 h SER 59 N 0.66 0.46 -0.54 2.28 0.02 -1.29 -1.52 113.55 113.62 1xt4 h SER 59 Ca 0.16 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1xt4 h SER 59 Cb 0.12 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1xt4 h SER 59 CO -0.02 0.86 0.17 0.40 -1.14 0.00 0.00 176.83 177.10 1xt4 h ILE 60 N 0.35 1.24 -0.20 3.27 2.04 -0.64 -1.07 117.51 122.49 1xt4 h ILE 60 Ca 0.02 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1xt4 h ILE 60 Cb 0.94 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1xt4 h ILE 60 CO 0.08 0.30 0.13 0.50 0.00 0.00 0.00 178.15 179.15 1xt4 h LYS 61 N 0.75 0.27 -0.76 2.37 3.64 -0.99 -2.10 116.57 119.75 1xt4 h LYS 61 Ca 0.17 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.65 1xt4 h LYS 61 Cb 0.28 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 1xt4 h LYS 61 CO -0.00 0.20 0.36 -0.91 -2.27 0.00 0.00 179.45 176.83 1xt4 h ASN 62 N 0.26 0.43 -0.43 4.20 2.35 -1.10 -1.96 115.58 119.32 1xt4 h ASN 62 Ca 0.07 0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1xt4 h ASN 62 Cb -0.01 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1xt4 h ASN 62 CO -0.01 0.21 0.07 0.74 -1.65 0.00 0.00 177.43 176.79 1xt4 h THR 63 N 0.57 1.23 -0.27 2.81 2.02 -0.82 -1.28 112.91 117.16 1xt4 h THR 63 Ca 0.40 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1xt4 h THR 63 Cb 0.51 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1xt4 h THR 63 CO -0.33 0.32 0.10 0.40 0.37 0.00 0.00 175.52 176.38 1xt4 h ILE 64 N 0.75 1.18 -0.16 3.11 2.04 -0.68 0.23 117.51 123.97 1xt4 h ILE 64 Ca 0.16 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1xt4 h ILE 64 Cb 0.35 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1xt4 h ILE 64 CO 0.01 0.19 0.06 1.88 0.00 0.00 0.00 178.15 180.29 1xt4 h TYR 65 N 0.28 0.11 -0.53 1.37 0.05 -1.18 -0.71 116.97 116.36 1xt4 h TYR 65 Ca 0.09 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1xt4 h TYR 65 Cb 0.20 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1xt4 h TYR 65 CO -0.00 0.06 0.34 0.82 -1.05 0.00 0.00 178.16 178.33 1xt4 h ILE 66 N 0.14 1.14 -0.68 -2.88 2.04 -1.13 -0.80 117.51 115.35 1xt4 h ILE 66 Ca 0.07 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1xt4 h ILE 66 Cb 0.03 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1xt4 h ILE 66 CO -0.06 0.14 0.32 0.74 0.00 0.00 0.00 178.15 179.29 1xt4 h THR 67 N 0.72 1.23 -0.39 -0.27 2.02 -0.77 -0.76 112.91 114.69 1xt4 h THR 67 Ca 0.19 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 1xt4 h THR 67 Cb -0.06 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1xt4 h THR 67 CO -0.04 0.27 0.01 0.00 0.37 0.00 0.00 175.52 176.13 1xt4 h ALA 68 N 1.15 1.29 -0.49 6.16 0.00 -0.87 -1.08 119.26 125.43 1xt4 h ALA 68 Ca 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1xt4 h ALA 68 Cb 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xt4 h ALA 68 CO -0.03 0.48 0.03 -0.22 0.00 0.00 0.00 179.25 179.52 1xt4 h LYS 69 N 0.58 0.84 -0.01 0.00 1.63 -0.03 -3.29 116.57 116.30 1xt4 h LYS 69 Ca 0.12 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1xt4 h LYS 69 Cb 0.36 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1xt4 h LYS 69 CO 0.01 0.87 -0.29 1.04 -3.45 0.00 0.00 179.45 177.63 1xt4 n GLN 70 N -4.37 0.97 -4.22 1.90 6.02 -0.40 -4.95 117.38 112.32 1xt4 n GLN 70 Ca 0.01 -0.63 -0.13 0.00 -0.01 0.00 0.00 57.00 56.24 1xt4 n GLN 70 Cb 0.29 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 1xt4 n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xt4 s ASN 71 N -2.47 0.76 0.43 1.08 0.01 -0.43 -5.08 114.94 109.24 1xt4 s ASN 71 Ca 0.24 -1.26 -0.23 0.00 -0.71 0.00 0.00 52.86 50.89 1xt4 s ASN 71 Cb 0.19 0.22 -0.08 0.00 0.41 0.00 0.00 41.25 41.99 1xt4 s ASN 71 CO 0.52 -0.70 1.11 -2.84 -1.51 0.00 0.00 177.10 173.68 1xt4 s PRO 72 N -4.02 3.98 0.00 -0.60 0.02 -1.26 -4.70 135.00 128.42 1xt4 s PRO 72 Ca 0.29 1.64 0.23 0.00 0.02 0.00 0.00 61.00 63.19 1xt4 s PRO 72 Cb 0.07 -2.48 0.31 0.00 0.02 0.00 0.00 34.50 32.42 1xt4 s PRO 72 CO 0.07 -0.33 1.33 1.33 -0.33 0.00 0.00 177.00 179.06 1xt4 n VAL 73 N -0.26 0.26 -4.17 3.83 0.24 -1.26 -4.51 118.33 112.46 1xt4 n VAL 73 Ca 0.06 -0.63 -0.16 0.00 -2.04 0.00 0.00 64.34 61.57 1xt4 n VAL 73 Cb 0.49 1.24 -0.12 0.00 -1.47 0.00 0.00 33.84 33.97 1xt4 n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xt4 s THR 74 N -1.72 0.77 0.70 3.34 -1.32 -1.26 -3.88 115.64 112.26 1xt4 s THR 74 Ca 0.33 -0.98 -0.13 0.00 -1.21 0.00 0.00 61.69 59.70 1xt4 s THR 74 Cb 0.21 -0.76 0.02 0.00 -1.51 0.00 0.00 72.50 70.47 1xt4 s THR 74 CO 0.31 -0.19 1.09 -2.16 -2.21 0.00 0.00 174.62 171.46 1xt4 s PRO 75 N -1.30 2.65 0.47 7.08 0.04 -1.26 -4.83 135.00 137.85 1xt4 s PRO 75 Ca -0.04 1.23 0.13 0.00 0.04 0.00 0.00 61.00 62.36 1xt4 s PRO 75 Cb -0.08 -1.94 1.11 0.00 0.04 0.00 0.00 34.50 33.63 1xt4 s PRO 75 CO 0.01 -1.35 2.09 -1.00 0.04 0.00 0.00 177.00 176.79 1xt4 h PRO 76 N -0.49 0.22 -0.52 0.56 0.13 -1.98 -1.15 132.00 128.78 1xt4 h PRO 76 Ca -0.45 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1xt4 h PRO 76 Cb 1.23 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1xt4 h PRO 76 CO 0.54 0.15 0.35 0.93 -0.23 0.00 0.00 178.00 179.73 1xt4 h GLU 77 N 0.23 0.61 0.06 0.86 3.07 -1.95 0.17 114.58 117.63 1xt4 h GLU 77 Ca 0.09 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1xt4 h GLU 77 Cb 0.09 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1xt4 h GLU 77 CO -0.02 0.41 -0.03 1.25 -1.40 0.00 0.00 179.01 179.22 1xt4 h LEU 78 N 0.63 -0.07 -0.73 1.33 5.85 -1.59 -2.77 115.31 117.97 1xt4 h LEU 78 Ca 0.20 -0.58 0.10 0.00 0.84 0.00 0.00 57.88 58.45 1xt4 h LEU 78 Cb 0.04 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1xt4 h LEU 78 CO -0.05 0.64 0.35 0.15 -0.34 0.00 0.00 178.44 179.19 1xt4 h PHE 79 N -0.86 0.63 -0.59 1.25 3.57 -1.33 -0.52 116.94 119.08 1xt4 h PHE 79 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1xt4 h PHE 79 Cb 0.64 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1xt4 h PHE 79 CO 0.15 0.20 0.18 0.78 -2.23 0.00 0.00 178.31 177.39 1xt4 h GLY 80 N 0.58 0.95 0.97 2.40 0.00 -1.05 -1.32 103.07 105.60 1xt4 h GLY 80 Ca 0.37 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 1xt4 h GLY 80 CO -0.30 0.50 -0.05 1.76 0.00 0.00 0.00 176.54 178.45 1xt4 h SER 81 N 0.86 0.75 -0.15 0.19 0.02 -1.02 -0.87 113.55 113.33 1xt4 h SER 81 Ca 0.19 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1xt4 h SER 81 Cb 0.26 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1xt4 h SER 81 CO -0.01 0.91 0.09 0.40 -1.14 0.00 0.00 176.83 177.09 1xt4 h ILE 82 N 0.57 1.06 -0.41 3.27 2.04 -0.95 -0.04 117.51 123.06 1xt4 h ILE 82 Ca 0.11 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1xt4 h ILE 82 Cb 0.56 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1xt4 h ILE 82 CO 0.03 0.06 0.20 0.25 0.00 0.00 0.00 178.15 178.69 1xt4 h LEU 83 N 0.18 0.53 -0.28 1.44 5.85 -1.16 -1.34 115.31 120.54 1xt4 h LEU 83 Ca 0.05 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 1xt4 h LEU 83 Cb 0.01 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1xt4 h LEU 83 CO -0.01 0.51 -0.10 1.23 -0.34 0.00 0.00 178.44 179.73 1xt4 h GLY 84 N 0.52 0.61 0.67 3.75 0.00 -1.01 -3.04 103.07 104.58 1xt4 h GLY 84 Ca 0.14 -0.52 0.07 0.00 0.00 0.00 0.00 47.33 47.02 1xt4 h GLY 84 CO -0.02 0.48 0.52 -0.84 0.00 0.00 0.00 176.54 176.68 1xt4 h THR 85 N 0.31 1.01 -0.46 4.70 2.02 -0.92 -2.45 112.91 117.12 1xt4 h THR 85 Ca 0.07 -0.32 0.09 0.00 0.77 0.00 0.00 66.41 67.02 1xt4 h THR 85 Cb 0.59 -0.01 -0.08 0.00 -1.74 0.00 0.00 68.15 66.91 1xt4 h THR 85 CO 0.03 0.17 -0.05 -0.74 0.37 0.00 0.00 175.52 175.31 1xt4 h HIS 86 N 0.93 -0.12 -0.64 3.16 6.17 -1.12 -2.07 115.15 121.45 1xt4 h HIS 86 Ca 0.38 0.04 -0.06 0.00 0.71 0.00 0.00 60.37 61.44 1xt4 h HIS 86 Cb 0.23 0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.25 1xt4 h HIS 86 CO -0.04 -0.15 0.16 0.74 0.71 0.00 0.00 177.93 179.36 1xt4 h PHE 87 N 0.06 1.08 0.00 5.26 0.04 -1.41 -1.45 116.94 120.52 1xt4 h PHE 87 Ca 0.23 -0.13 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 1xt4 h PHE 87 Cb 0.35 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1xt4 h PHE 87 CO -0.34 0.90 -0.59 -0.84 -0.60 0.00 0.00 178.31 176.84 1xt4 h ILE 88 N 0.95 1.40 0.20 -0.55 3.07 -1.36 -2.53 117.51 118.69 1xt4 h ILE 88 Ca 0.20 -2.03 -0.32 0.00 1.55 0.00 0.00 64.86 64.27 1xt4 h ILE 88 Cb 0.36 2.10 0.02 0.00 -0.27 0.00 0.00 36.82 39.03 1xt4 h ILE 88 CO 0.00 0.58 -1.45 -0.33 -1.05 0.00 0.00 178.15 175.90 1xt4 h GLU 89 N 0.00 0.42 -0.28 0.16 5.08 -1.37 -3.35 114.58 115.25 1xt4 h GLU 89 Ca -0.01 -0.72 -0.19 0.00 -1.00 0.00 0.00 59.36 57.45 1xt4 h GLU 89 Cb 1.05 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1xt4 h GLU 89 CO 0.08 1.33 -0.57 -0.22 -1.00 0.00 0.00 179.01 178.63 1xt4 h LYS 90 N 0.11 0.86 -5.11 2.33 1.63 -1.30 -3.43 116.57 111.66 1xt4 h LYS 90 Ca -0.23 -0.56 -0.66 0.00 -0.85 0.00 0.00 60.65 58.36 1xt4 h LYS 90 Cb 2.09 0.07 -0.27 0.00 -0.60 0.00 0.00 32.23 33.52 1xt4 h LYS 90 CO 0.23 1.19 -0.73 0.71 -3.45 0.00 0.00 179.45 177.40 1xt4 s TYR 91 N -4.09 2.92 0.25 1.91 2.02 -0.96 -5.00 117.35 114.40 1xt4 s TYR 91 Ca -0.11 -0.83 -0.03 0.00 -0.37 0.00 0.00 57.07 55.74 1xt4 s TYR 91 Cb 0.10 -2.02 0.30 0.00 -0.40 0.00 0.00 41.96 39.94 1xt4 s TYR 91 CO 0.89 -0.42 1.76 -0.91 -1.57 0.00 0.00 175.55 175.30 1xt4 h ASN 92 N 7.60 0.82 -0.03 2.29 2.35 -1.84 -3.10 115.58 123.67 1xt4 h ASN 92 Ca -0.37 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 1xt4 h ASN 92 Cb 1.18 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1xt4 h ASN 92 CO 0.60 0.86 0.00 0.00 -1.65 0.00 0.00 177.43 177.24 1xt4 n HIS 93 N -4.22 0.02 -3.51 1.19 1.44 -1.26 -4.75 115.22 104.13 1xt4 n HIS 93 Ca 0.03 -0.01 -0.38 0.00 -2.01 0.00 0.00 57.72 55.35 1xt4 n HIS 93 Cb 0.29 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.30 1xt4 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1xt4 s ILE 94 N -1.98 5.26 -0.24 0.61 -1.09 -1.17 0.28 121.20 122.87 1xt4 s ILE 94 Ca 0.37 0.34 0.08 0.00 -2.23 0.00 0.00 60.65 59.21 1xt4 s ILE 94 Cb 0.21 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 37.39 1xt4 s ILE 94 CO 0.33 0.22 0.28 1.41 -1.23 0.00 0.00 174.94 175.94 1xt4 n HIS 95 N 5.10 0.00 -3.90 3.97 8.25 -0.16 -4.56 115.22 123.93 1xt4 n HIS 95 Ca -0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.23 1xt4 n HIS 95 Cb 0.51 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.42 1xt4 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xt4 s ALA 96 N -2.06 0.04 -0.05 -1.41 0.00 -0.82 0.31 121.76 117.77 1xt4 s ALA 96 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1xt4 s ALA 96 Cb 0.06 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1xt4 s ALA 96 CO 0.33 -0.02 -0.14 0.00 0.00 0.00 0.00 175.76 175.93 1xt4 s ALA 97 N -0.24 1.36 -0.22 0.00 0.00 0.06 -0.78 121.76 121.95 1xt4 s ALA 97 Ca -0.02 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1xt4 s ALA 97 Cb -0.02 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.61 1xt4 s ALA 97 CO -0.00 0.19 -0.15 -1.01 0.00 0.00 0.00 175.76 174.79 1xt4 s HIS 98 N 0.35 3.01 -0.15 0.00 3.76 0.50 -0.60 115.29 122.16 1xt4 s HIS 98 Ca -0.09 -1.92 0.02 0.00 -0.15 0.00 0.00 55.06 52.91 1xt4 s HIS 98 Cb -0.13 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.63 1xt4 s HIS 98 CO 0.03 -0.83 -0.19 0.08 -0.85 0.00 0.00 174.74 172.98 1xt4 s VAL 99 N 1.21 2.27 -0.10 -0.90 1.01 0.05 -0.54 120.40 123.41 1xt4 s VAL 99 Ca -0.01 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1xt4 s VAL 99 Cb -0.16 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1xt4 s VAL 99 CO -0.09 0.54 -0.19 0.21 0.00 0.00 0.00 175.10 175.57 1xt4 s ASN 100 N 0.88 3.55 -0.04 3.32 2.47 0.10 -0.73 114.94 124.50 1xt4 s ASN 100 Ca -0.05 -0.42 0.03 0.00 0.42 0.00 0.00 52.86 52.84 1xt4 s ASN 100 Cb -0.15 -1.32 0.00 0.00 -1.45 0.00 0.00 41.25 38.33 1xt4 s ASN 100 CO -0.03 0.20 -0.13 -0.63 -3.72 0.00 0.00 177.10 172.80 1xt4 s ILE 101 N 0.13 1.09 -0.18 -5.21 1.01 -0.58 -0.51 121.20 116.96 1xt4 s ILE 101 Ca -0.10 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 1xt4 s ILE 101 Cb -0.16 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.36 1xt4 s ILE 101 CO 0.06 0.33 -0.15 -0.69 0.00 0.00 0.00 174.94 174.49 1xt4 s VAL 102 N 0.26 2.53 -0.20 2.92 1.01 -0.20 -1.39 120.40 125.32 1xt4 s VAL 102 Ca -0.06 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 1xt4 s VAL 102 Cb -0.11 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1xt4 s VAL 102 CO 0.02 0.51 0.21 0.00 0.00 0.00 0.00 175.10 175.84 1xt4 s HIS 104 N 0.73 3.56 -0.02 0.00 3.76 -0.56 -2.91 115.29 119.85 1xt4 s HIS 104 Ca 0.11 0.74 -0.29 0.00 -0.15 0.00 0.00 55.06 55.47 1xt4 s HIS 104 Cb -0.13 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 1xt4 s HIS 104 CO 0.03 0.50 0.95 1.03 -0.85 0.00 0.00 174.74 176.40 1xt4 s ARG 105 N -2.05 4.53 -0.28 1.40 0.52 -1.26 -4.51 118.95 117.30 1xt4 s ARG 105 Ca 0.34 1.36 -0.01 0.00 -0.52 0.00 0.00 55.73 56.91 1xt4 s ARG 105 Cb -0.13 -3.47 0.09 0.00 0.52 0.00 0.00 34.95 31.96 1xt4 s ARG 105 CO 0.19 -0.07 0.06 -1.58 0.02 0.00 0.00 175.30 173.93 1xt4 s TRP 106 N 1.09 1.86 -0.22 -0.53 0.23 -1.26 -4.33 118.94 115.76 1xt4 s TRP 106 Ca 0.50 -1.69 -0.10 0.00 -2.03 0.00 0.00 56.10 52.79 1xt4 s TRP 106 Cb -0.20 -1.67 -0.05 0.00 0.03 0.00 0.00 33.47 31.58 1xt4 s TRP 106 CO 0.26 -0.82 0.13 0.99 0.96 0.00 0.00 176.95 178.47 1xt4 s THR 107 N 1.57 5.17 0.10 2.01 2.01 0.36 -4.83 115.64 122.03 1xt4 s THR 107 Ca 0.06 0.11 -0.36 0.00 0.31 0.00 0.00 61.69 61.81 1xt4 s THR 107 Cb -0.18 -3.39 -0.16 0.00 0.01 0.00 0.00 72.50 68.78 1xt4 s THR 107 CO -0.18 0.38 1.33 -1.14 -0.69 0.00 0.00 174.62 174.32 1xt4 n ARG 108 N 4.10 1.21 -2.54 4.92 0.63 -1.26 -0.92 116.66 122.80 1xt4 n ARG 108 Ca -0.16 0.44 -0.36 0.00 -0.92 0.00 0.00 57.85 56.85 1xt4 n ARG 108 Cb 0.52 -2.07 -0.04 0.00 0.45 0.00 0.00 32.46 31.32 1xt4 n ARG 108 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1xt4 s MET 109 N 0.40 4.16 -0.30 -0.14 -1.94 -0.19 -4.81 119.30 116.48 1xt4 s MET 109 Ca 0.83 1.51 -0.09 0.00 -1.71 0.00 0.00 55.69 56.22 1xt4 s MET 109 Cb -0.93 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 1xt4 s MET 109 CO 0.47 -0.14 0.14 -0.51 -0.01 0.00 0.00 175.02 174.97 1xt4 s ASP 110 N -1.57 5.49 -0.21 3.03 1.01 -1.26 -0.58 116.67 122.58 1xt4 s ASP 110 Ca 0.58 -0.44 -0.03 0.00 0.71 0.00 0.00 52.55 53.37 1xt4 s ASP 110 Cb -0.22 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1xt4 s ASP 110 CO 0.27 -0.16 -0.08 -0.63 0.21 0.00 0.00 175.17 174.79 1xt4 s ILE 111 N 1.62 3.03 -1.17 0.77 -1.09 0.28 -4.67 121.20 119.97 1xt4 s ILE 111 Ca 0.05 -0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 57.76 1xt4 s ILE 111 Cb -0.17 -2.38 0.01 0.00 -1.58 0.00 0.00 42.46 38.34 1xt4 s ILE 111 CO 0.06 0.42 0.79 0.47 -1.23 0.00 0.00 174.94 175.45 1xt4 n ASP 112 N 4.75 -5.47 -0.81 3.58 8.00 -1.26 -2.14 116.55 123.19 1xt4 n ASP 112 Ca -0.19 -0.36 -0.09 0.00 0.71 0.00 0.00 54.79 54.86 1xt4 n ASP 112 Cb 0.50 -4.17 -0.03 0.00 -0.02 0.00 0.00 41.12 37.41 1xt4 n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xt4 n GLY 113 N -1.60 0.75 3.06 0.44 0.00 -1.26 -5.01 105.19 101.57 1xt4 n GLY 113 Ca -0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1xt4 n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xt4 s LYS 114 N -3.29 0.21 0.03 1.61 2.36 -0.91 -5.12 119.74 114.63 1xt4 s LYS 114 Ca 0.00 0.35 -0.33 0.00 -2.55 0.00 0.00 55.97 53.44 1xt4 s LYS 114 Cb 0.00 0.02 -0.12 0.00 -1.05 0.00 0.00 37.83 36.69 1xt4 s LYS 114 CO 0.00 -0.08 1.83 -2.30 1.55 0.00 0.00 175.35 176.35 1xt4 n PRO 115 N 3.42 2.42 -2.73 4.03 -0.02 -1.26 -0.56 135.00 140.29 1xt4 n PRO 115 Ca -0.17 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1xt4 n PRO 115 Cb 0.56 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 1xt4 n PRO 115 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1xt4 s HIS 116 N 3.19 3.89 0.50 6.00 2.46 0.26 -4.89 115.29 126.69 1xt4 s HIS 116 Ca 0.87 1.85 0.29 0.00 0.47 0.00 0.00 55.06 58.54 1xt4 s HIS 116 Cb -0.60 -3.03 1.66 0.00 -0.13 0.00 0.00 32.58 30.48 1xt4 s HIS 116 CO 0.44 0.30 2.17 -1.00 -2.47 0.00 0.00 174.74 174.18 1xt4 h PRO 117 N 4.92 0.00 -0.01 2.88 0.13 -1.92 -3.37 132.00 134.63 1xt4 h PRO 117 Ca -0.44 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1xt4 h PRO 117 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 1xt4 h PRO 117 CO 0.70 0.06 -0.42 -2.39 -0.23 0.00 0.00 178.00 175.72 1xt4 n HIS 118 N -3.70 -0.16 -4.83 1.56 1.44 -1.26 -0.60 115.22 107.66 1xt4 n HIS 118 Ca -0.02 -0.64 -0.26 0.00 -2.01 0.00 0.00 57.72 54.79 1xt4 n HIS 118 Cb 0.16 0.48 -0.16 0.00 0.12 0.00 0.00 29.99 30.59 1xt4 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1xt4 s SER 119 N -1.22 2.13 0.09 4.39 0.01 -1.26 -5.05 113.70 112.79 1xt4 s SER 119 Ca 0.07 -0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1xt4 s SER 119 Cb 0.11 -0.49 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1xt4 s SER 119 CO -0.04 0.17 -0.07 -0.36 0.41 0.00 0.00 173.24 173.35 1xt4 s PHE 120 N -0.09 0.84 0.01 2.43 0.40 -1.26 -1.02 117.98 119.29 1xt4 s PHE 120 Ca -0.01 -0.84 0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1xt4 s PHE 120 Cb -0.10 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 42.93 1xt4 s PHE 120 CO 0.01 -0.14 -0.05 -1.50 0.70 0.00 0.00 175.22 174.24 1xt4 s ILE 121 N -3.20 0.34 -0.89 0.64 2.07 -0.09 -4.85 121.20 115.21 1xt4 s ILE 121 Ca 0.07 -0.43 -0.20 0.00 -1.41 0.00 0.00 60.65 58.68 1xt4 s ILE 121 Cb 0.02 -0.34 0.11 0.00 0.13 0.00 0.00 42.46 42.39 1xt4 s ILE 121 CO -0.04 -0.07 1.15 -0.60 -1.91 0.00 0.00 174.94 173.47 1xt4 s ARG 122 N -0.54 3.50 0.00 3.50 6.06 -1.26 -0.49 118.95 129.72 1xt4 s ARG 122 Ca -0.03 -1.48 0.26 0.00 -2.50 0.00 0.00 55.73 51.99 1xt4 s ARG 122 Cb -0.04 -4.85 1.46 0.00 0.06 0.00 0.00 34.95 31.58 1xt4 s ARG 122 CO -0.00 -1.85 1.92 -0.40 -2.50 0.00 0.00 175.30 172.47 1xt4 n ASP 123 N 7.15 0.00 -3.58 -2.12 5.75 -1.26 -4.92 116.55 117.57 1xt4 n ASP 123 Ca 0.20 -0.44 -0.09 0.00 -0.01 0.00 0.00 54.79 54.44 1xt4 n ASP 123 Cb 0.49 -0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.38 1xt4 n ASP 123 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1xt4 s SER 124 N -2.30 -0.32 0.00 -1.12 0.15 -1.26 -5.00 113.70 103.84 1xt4 s SER 124 Ca 0.32 0.29 0.12 0.00 0.70 0.00 0.00 55.95 57.38 1xt4 s SER 124 Cb 0.18 0.28 0.41 0.00 -1.71 0.00 0.00 66.02 65.18 1xt4 s SER 124 CO 0.36 -0.34 1.31 -0.62 1.20 0.00 0.00 173.24 175.15 1xt4 n GLU 125 N 0.54 1.60 -1.98 5.44 -0.58 -1.26 -4.59 120.64 119.80 1xt4 n GLU 125 Ca -0.08 -0.92 -0.41 0.00 -0.42 0.00 0.00 57.16 55.32 1xt4 n GLU 125 Cb 0.58 -1.26 -0.02 0.00 -0.57 0.00 0.00 31.44 30.18 1xt4 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1xt4 s GLU 126 N -1.70 4.25 0.21 3.49 2.12 -1.24 -4.74 118.70 121.10 1xt4 s GLU 126 Ca 0.22 2.35 0.09 0.00 0.36 0.00 0.00 54.97 57.99 1xt4 s GLU 126 Cb 0.11 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1xt4 s GLU 126 CO 0.16 -0.42 -0.09 0.15 -0.54 0.00 0.00 175.26 174.53 1xt4 s LYS 127 N -0.81 2.07 -0.15 4.30 -0.14 -0.15 -4.39 119.74 120.46 1xt4 s LYS 127 Ca 0.57 -1.37 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 1xt4 s LYS 127 Cb -0.43 -2.11 -0.00 0.00 -1.68 0.00 0.00 37.83 33.61 1xt4 s LYS 127 CO 0.47 0.40 -0.16 0.50 -0.76 0.00 0.00 175.35 175.81 1xt4 s ARG 128 N -3.12 3.20 0.29 1.68 3.52 -1.15 -1.77 118.95 121.60 1xt4 s ARG 128 Ca 0.27 -0.76 0.06 0.00 -0.13 0.00 0.00 55.73 55.18 1xt4 s ARG 128 Cb -0.08 -2.61 -0.06 0.00 -1.56 0.00 0.00 34.95 30.64 1xt4 s ARG 128 CO 0.16 0.02 -0.05 -0.80 -0.81 0.00 0.00 175.30 173.82 1xt4 s ASN 129 N 0.81 2.75 -0.02 -2.12 -0.87 0.47 -0.43 114.94 115.54 1xt4 s ASN 129 Ca -0.05 -1.21 -0.04 0.00 -1.57 0.00 0.00 52.86 49.99 1xt4 s ASN 129 Cb -0.15 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 1xt4 s ASN 129 CO -0.00 -0.37 0.09 0.54 -2.57 0.00 0.00 177.10 174.79 1xt4 s VAL 130 N -3.03 0.04 -0.18 1.60 0.11 -0.49 -0.87 120.40 117.59 1xt4 s VAL 130 Ca 0.30 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1xt4 s VAL 130 Cb 0.04 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.68 1xt4 s VAL 130 CO 0.12 -0.16 -0.20 -1.58 -3.33 0.00 0.00 175.10 169.95 1xt4 s GLN 131 N -0.50 3.00 -0.15 1.54 2.00 0.38 -1.52 119.66 124.41 1xt4 s GLN 131 Ca -0.06 -0.83 0.01 0.00 -2.00 0.00 0.00 55.36 52.49 1xt4 s GLN 131 Cb -0.04 -2.56 0.02 0.00 0.80 0.00 0.00 33.01 31.23 1xt4 s GLN 131 CO 0.00 -0.18 -0.18 0.08 -0.50 0.00 0.00 175.29 174.51 1xt4 s VAL 132 N 1.23 1.86 -0.25 1.34 1.01 0.10 -1.54 120.40 124.14 1xt4 s VAL 132 Ca 0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1xt4 s VAL 132 Cb -0.13 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 1xt4 s VAL 132 CO -0.11 0.51 0.02 -1.81 0.00 0.00 0.00 175.10 173.71 1xt4 s ASP 133 N 1.21 4.75 -0.37 3.32 1.01 -0.28 -0.77 116.67 125.55 1xt4 s ASP 133 Ca 0.01 -0.51 -0.04 0.00 0.71 0.00 0.00 52.55 52.72 1xt4 s ASP 133 Cb -0.14 -1.82 0.08 0.00 1.01 0.00 0.00 42.92 42.05 1xt4 s ASP 133 CO -0.09 -0.09 0.14 -0.69 0.21 0.00 0.00 175.17 174.65 1xt4 s VAL 134 N 1.50 3.41 -0.20 -1.27 1.01 0.23 -1.35 120.40 123.73 1xt4 s VAL 134 Ca 0.04 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.36 1xt4 s VAL 134 Cb -0.16 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1xt4 s VAL 134 CO -0.00 -0.42 -0.04 -0.69 0.00 0.00 0.00 175.10 173.95 1xt4 s VAL 135 N 1.25 3.51 -0.07 2.92 1.01 -1.01 -0.76 120.40 127.25 1xt4 s VAL 135 Ca 0.02 -0.46 -0.36 0.00 0.00 0.00 0.00 61.98 61.19 1xt4 s VAL 135 Cb -0.21 -2.58 -0.13 0.00 0.00 0.00 0.00 36.38 33.45 1xt4 s VAL 135 CO -0.01 0.44 1.75 1.21 0.00 0.00 0.00 175.10 178.49 1xt4 n GLU 136 N 4.49 1.87 -0.93 2.72 2.13 0.15 -1.03 120.64 130.03 1xt4 n GLU 136 Ca -0.18 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1xt4 n GLU 136 Cb 0.51 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.76 1xt4 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xt4 n GLY 137 N 4.03 0.87 0.00 8.31 0.00 -1.26 -4.83 105.19 112.31 1xt4 n GLY 137 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1xt4 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xt4 n LYS 138 N -2.20 1.26 0.00 1.61 5.02 -0.20 -5.13 118.16 118.52 1xt4 n LYS 138 Ca 0.00 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 1xt4 n LYS 138 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1xt4 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xt4 n GLY 139 N -0.22 -0.10 2.80 0.72 0.00 -1.15 -4.82 105.19 102.41 1xt4 n GLY 139 Ca 0.00 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.70 1xt4 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xt4 s ILE 140 N 0.00 0.53 -0.22 -0.61 1.01 0.60 -2.42 121.20 120.10 1xt4 s ILE 140 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 1xt4 s ILE 140 Cb 0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1xt4 s ILE 140 CO 0.00 0.26 0.09 -1.81 0.00 0.00 0.00 174.94 173.47 1xt4 s ASP 141 N 1.91 5.57 -0.07 3.58 1.01 -0.46 -1.39 116.67 126.81 1xt4 s ASP 141 Ca 0.05 -0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.34 1xt4 s ASP 141 Cb -0.13 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1xt4 s ASP 141 CO -0.06 0.08 -0.20 -0.63 0.21 0.00 0.00 175.17 174.58 1xt4 s ILE 142 N 0.92 1.68 -0.15 0.77 1.01 -1.26 -1.13 121.20 123.04 1xt4 s ILE 142 Ca 0.05 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1xt4 s ILE 142 Cb -0.14 -1.45 0.02 0.00 0.01 0.00 0.00 42.46 40.90 1xt4 s ILE 142 CO 0.03 0.47 -0.19 -0.54 0.00 0.00 0.00 174.94 174.72 1xt4 s LYS 143 N 0.25 2.71 0.17 2.79 1.02 -0.59 -1.55 119.74 124.54 1xt4 s LYS 143 Ca -0.11 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.21 1xt4 s LYS 143 Cb -0.15 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1xt4 s LYS 143 CO 0.05 -0.13 0.06 -1.12 -0.92 0.00 0.00 175.35 173.30 1xt4 s SER 144 N 1.13 5.14 0.19 2.83 0.01 -0.46 -0.47 113.70 122.07 1xt4 s SER 144 Ca -0.01 -0.26 -0.20 0.00 1.31 0.00 0.00 55.95 56.79 1xt4 s SER 144 Cb -0.14 -1.23 0.04 0.00 0.21 0.00 0.00 66.02 64.91 1xt4 s SER 144 CO -0.07 0.08 0.56 -0.94 0.41 0.00 0.00 173.24 173.28 1xt4 s SER 145 N -3.00 -0.36 0.05 2.44 1.04 -0.05 -1.02 113.70 112.80 1xt4 s SER 145 Ca 0.29 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.48 1xt4 s SER 145 Cb -0.10 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1xt4 s SER 145 CO 0.21 -1.04 -0.21 -1.48 0.98 0.00 0.00 173.24 171.70 1xt4 s LEU 146 N -2.83 2.18 0.23 2.42 0.05 -0.47 -0.39 118.68 119.87 1xt4 s LEU 146 Ca 0.06 -0.55 -0.10 0.00 0.05 0.00 0.00 54.13 53.60 1xt4 s LEU 146 Cb -0.01 -0.98 -0.01 0.00 -2.05 0.00 0.00 46.19 43.14 1xt4 s LEU 146 CO -0.06 0.15 0.37 -0.94 -0.55 0.00 0.00 176.35 175.32 1xt4 s SER 147 N -1.27 -0.02 -1.26 1.48 1.04 -0.73 -1.68 113.70 111.27 1xt4 s SER 147 Ca 0.08 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1xt4 s SER 147 Cb -0.09 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1xt4 s SER 147 CO 0.02 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1xt4 n GLY 148 N -0.34 0.81 3.46 7.32 0.00 -1.15 -0.98 105.19 114.31 1xt4 n GLY 148 Ca -0.01 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 1xt4 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xt4 s LEU 149 N -3.17 4.60 -0.27 0.99 2.96 -1.22 -3.68 118.68 118.89 1xt4 s LEU 149 Ca 0.00 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.98 1xt4 s LEU 149 Cb 0.00 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 1xt4 s LEU 149 CO 0.00 -1.16 0.18 -0.89 -1.32 0.00 0.00 176.35 173.16 1xt4 s THR 150 N 3.40 5.32 0.15 3.68 2.01 -1.26 -0.41 115.64 128.54 1xt4 s THR 150 Ca 0.21 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.41 1xt4 s THR 150 Cb -0.17 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1xt4 s THR 150 CO 0.13 0.27 -0.03 0.68 -0.69 0.00 0.00 174.62 174.98 1xt4 s VAL 151 N 1.59 0.76 -0.16 3.82 -7.23 -0.62 -5.01 120.40 113.55 1xt4 s VAL 151 Ca 0.07 -1.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.12 1xt4 s VAL 151 Cb -0.15 -1.99 0.04 0.00 0.56 0.00 0.00 36.38 34.84 1xt4 s VAL 151 CO 0.09 -0.60 0.42 -0.22 -0.31 0.00 0.00 175.10 174.49 1xt4 s LEU 152 N -3.15 0.35 -0.05 1.32 0.20 -1.26 -1.61 118.68 114.49 1xt4 s LEU 152 Ca 0.20 0.86 0.05 0.00 0.69 0.00 0.00 54.13 55.93 1xt4 s LEU 152 Cb 0.05 1.45 -0.00 0.00 -0.43 0.00 0.00 46.19 47.26 1xt4 s LEU 152 CO 0.02 -0.15 -0.19 -1.59 -0.29 0.00 0.00 176.35 174.15 1xt4 s LYS 153 N 0.29 1.93 0.00 1.98 -2.85 0.28 -5.00 119.74 116.36 1xt4 s LYS 153 Ca -0.01 -0.67 0.28 0.00 -1.00 0.00 0.00 55.97 54.58 1xt4 s LYS 153 Cb -0.03 -1.67 1.09 0.00 -2.06 0.00 0.00 37.83 35.16 1xt4 s LYS 153 CO -0.00 0.27 1.79 -1.13 0.10 0.00 0.00 175.35 176.38 1xt4 n SER 154 N 3.10 0.36 -2.95 0.03 3.41 -1.26 -1.59 113.62 114.73 1xt4 n SER 154 Ca -0.18 -0.25 -0.08 0.00 -0.26 0.00 0.00 58.87 58.10 1xt4 n SER 154 Cb 0.53 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1xt4 n SER 154 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xt4 s THR 155 N -2.71 0.00 -0.74 6.66 -1.32 -1.25 -4.38 115.64 111.90 1xt4 s THR 155 Ca 0.22 -0.93 -0.04 0.00 -1.21 0.00 0.00 61.69 59.73 1xt4 s THR 155 Cb 0.19 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 1xt4 s THR 155 CO 0.53 0.00 0.64 0.59 -2.21 0.00 0.00 174.62 174.18 1xt4 n ASN 156 N -1.44 -3.80 -3.79 8.08 4.13 -1.26 -4.88 115.26 112.30 1xt4 n ASN 156 Ca -0.08 -0.32 -0.13 0.00 1.68 0.00 0.00 54.58 55.74 1xt4 n ASN 156 Cb 0.60 -3.08 -0.13 0.00 -1.54 0.00 0.00 39.78 35.63 1xt4 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1xt4 s SER 157 N -3.35 -0.16 0.19 6.41 0.15 -1.25 -2.46 113.70 113.23 1xt4 s SER 157 Ca 0.24 0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1xt4 s SER 157 Cb -0.11 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 1xt4 s SER 157 CO 0.41 -0.09 -0.00 -1.10 1.20 0.00 0.00 173.24 173.66 1xt4 s GLN 158 N 0.52 1.20 -0.31 5.44 -0.21 0.39 -1.51 119.66 125.18 1xt4 s GLN 158 Ca -0.04 -1.59 0.05 0.00 0.02 0.00 0.00 55.36 53.81 1xt4 s GLN 158 Cb -0.05 -0.41 0.19 0.00 1.00 0.00 0.00 33.01 33.74 1xt4 s GLN 158 CO -0.03 -0.11 0.55 0.12 -2.12 0.00 0.00 175.29 173.70 1xt4 s PHE 159 N -3.56 -1.64 0.15 0.91 5.36 -0.69 -3.79 117.98 114.72 1xt4 s PHE 159 Ca 0.26 0.79 -0.07 0.00 -0.96 0.00 0.00 56.93 56.95 1xt4 s PHE 159 Cb 0.06 0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.92 1xt4 s PHE 159 CO 0.06 -1.08 0.22 1.67 -1.46 0.00 0.00 175.22 174.64 1xt4 s TRP 160 N 2.63 0.49 0.00 10.12 1.48 -1.26 -1.47 118.94 130.93 1xt4 s TRP 160 Ca 0.11 -0.86 0.00 0.00 -1.06 0.00 0.00 56.10 54.29 1xt4 s TRP 160 Cb -0.10 -0.16 0.00 0.00 -1.16 0.00 0.00 33.47 32.06 1xt4 s TRP 160 CO -0.24 -0.66 0.00 0.41 -4.06 0.00 0.00 176.95 172.40 1xt4 n GLY 161 N -0.17 0.68 3.89 3.67 0.00 -1.26 -5.03 105.19 106.96 1xt4 n GLY 161 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1xt4 n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xt4 s PHE 162 N -2.24 3.35 0.33 1.61 -0.71 -1.26 -4.98 117.98 114.09 1xt4 s PHE 162 Ca 0.00 1.03 -0.29 0.00 -1.04 0.00 0.00 56.93 56.63 1xt4 s PHE 162 Cb 0.00 -2.98 -0.12 0.00 -1.21 0.00 0.00 43.02 38.71 1xt4 s PHE 162 CO 0.00 -1.07 1.38 -0.11 -1.34 0.00 0.00 175.22 174.07 1xt4 n LEU 163 N -2.92 3.78 -4.00 -1.99 0.00 -1.26 -5.01 117.00 105.60 1xt4 n LEU 163 Ca 0.06 1.20 -0.27 0.00 0.00 0.00 0.00 56.01 57.00 1xt4 n LEU 163 Cb 0.57 -1.51 -0.17 0.00 0.00 0.00 0.00 43.42 42.31 1xt4 n LEU 163 CO 0.57 -0.30 -0.47 -0.13 0.00 0.00 0.00 177.39 177.05 1xt4 s ARG 164 N -1.55 1.87 0.00 1.96 0.52 -1.26 -4.97 118.95 115.53 1xt4 s ARG 164 Ca 0.58 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1xt4 s ARG 164 Cb -0.56 -1.66 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1xt4 s ARG 164 CO 0.59 -0.10 0.00 -0.40 0.02 0.00 0.00 175.30 175.42 1xt4 n ASP 165 N 4.30 0.00 0.00 0.23 5.75 -1.26 -5.01 116.55 120.56 1xt4 n ASP 165 Ca -0.18 -0.22 0.09 0.00 -0.01 0.00 0.00 54.79 54.46 1xt4 n ASP 165 Cb 0.51 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 41.11 1xt4 n ASP 165 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1xt4 n GLU 166 N 0.00 0.53 0.00 0.11 0.00 -1.26 -2.05 120.64 117.97 1xt4 n GLU 166 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.25 1xt4 n GLU 166 Cb 0.00 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 29.98 1xt4 n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1xt4 n TYR 167 N -1.01 0.00 -3.51 -1.84 4.01 -1.26 -5.00 117.16 108.55 1xt4 n TYR 167 Ca 0.13 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.50 1xt4 n TYR 167 Cb 0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.02 1xt4 n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xt4 s THR 168 N -1.68 5.27 0.00 -0.72 2.01 -0.87 -4.91 115.64 114.75 1xt4 s THR 168 Ca 0.18 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1xt4 s THR 168 Cb 0.14 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1xt4 s THR 168 CO 0.31 0.40 0.00 0.35 -0.69 0.00 0.00 174.62 174.99 1xt4 n THR 169 N 3.39 0.00 -1.87 -0.82 -2.24 -1.26 -4.83 114.28 106.64 1xt4 n THR 169 Ca -0.12 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1xt4 n THR 169 Cb 0.52 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 1xt4 n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xt4 s LEU 170 N -1.29 4.36 0.08 3.22 2.96 -1.26 -5.00 118.68 121.76 1xt4 s LEU 170 Ca 0.00 2.81 -0.12 0.00 -0.22 0.00 0.00 54.13 56.60 1xt4 s LEU 170 Cb 0.00 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 1xt4 s LEU 170 CO 0.00 -0.83 0.44 -0.54 -1.32 0.00 0.00 176.35 174.10 1xt4 s LYS 171 N -0.19 3.85 0.51 1.98 1.02 -1.26 -5.05 119.74 120.59 1xt4 s LYS 171 Ca 0.63 0.30 -0.22 0.00 0.02 0.00 0.00 55.97 56.71 1xt4 s LYS 171 Cb -0.45 -3.02 -0.06 0.00 -0.52 0.00 0.00 37.83 33.78 1xt4 s LYS 171 CO 0.44 0.56 1.25 -1.21 -0.92 0.00 0.00 175.35 175.47 1xt4 s GLU 172 N -1.77 3.44 0.02 1.68 2.02 -1.26 -5.01 118.70 117.82 1xt4 s GLU 172 Ca 0.33 1.98 -0.01 0.00 0.02 0.00 0.00 54.97 57.29 1xt4 s GLU 172 Cb -0.15 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 1xt4 s GLU 172 CO 0.18 -0.87 -0.01 -0.08 0.02 0.00 0.00 175.26 174.50 1xt4 s THR 173 N -1.44 0.13 -0.91 3.63 -1.32 -0.54 -4.99 115.64 110.19 1xt4 s THR 173 Ca 0.68 -1.04 0.08 0.00 -1.21 0.00 0.00 61.69 60.20 1xt4 s THR 173 Cb -0.34 -0.50 0.04 0.00 -1.51 0.00 0.00 72.50 70.19 1xt4 s THR 173 CO 0.40 -0.57 0.68 0.79 -2.21 0.00 0.00 174.62 173.71 1xt4 n TRP 174 N 1.31 0.00 -3.51 9.09 8.01 -1.26 -1.70 117.44 129.38 1xt4 n TRP 174 Ca -0.22 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 55.91 1xt4 n TRP 174 Cb 0.56 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.79 1xt4 n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1xt4 s ASP 175 N -0.89 -0.34 0.18 -0.99 2.15 -1.24 -4.58 116.67 110.97 1xt4 s ASP 175 Ca 0.08 0.82 -0.13 0.00 0.43 0.00 0.00 52.55 53.75 1xt4 s ASP 175 Cb 0.07 1.48 0.01 0.00 -0.30 0.00 0.00 42.92 44.18 1xt4 s ASP 175 CO 0.14 -0.25 0.40 0.00 -0.17 0.00 0.00 175.17 175.29 1xt4 s ARG 176 N 2.65 1.28 0.25 4.34 1.70 -0.57 -5.00 118.95 123.60 1xt4 s ARG 176 Ca 0.05 -1.04 -0.28 0.00 -0.47 0.00 0.00 55.73 53.98 1xt4 s ARG 176 Cb -0.13 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 1xt4 s ARG 176 CO -0.15 -0.51 0.90 0.42 -1.08 0.00 0.00 175.30 174.88 1xt4 s ILE 177 N -3.93 4.18 -0.12 4.99 1.01 -1.26 -3.96 121.20 122.11 1xt4 s ILE 177 Ca 0.14 1.93 0.01 0.00 0.00 0.00 0.00 60.65 62.73 1xt4 s ILE 177 Cb 0.01 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.30 1xt4 s ILE 177 CO -0.01 0.41 -0.13 -0.22 0.00 0.00 0.00 174.94 174.99 1xt4 s LEU 178 N -1.41 1.60 0.01 2.97 2.96 -0.62 -4.86 118.68 119.33 1xt4 s LEU 178 Ca 0.42 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1xt4 s LEU 178 Cb -0.23 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 1xt4 s LEU 178 CO 0.29 -0.03 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.70 1xt4 s SER 179 N 1.24 0.39 0.22 3.68 0.15 -1.26 -0.56 113.70 117.56 1xt4 s SER 179 Ca -0.02 -0.21 -0.22 0.00 0.70 0.00 0.00 55.95 56.20 1xt4 s SER 179 Cb -0.14 -0.00 0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1xt4 s SER 179 CO -0.05 -0.06 0.70 0.28 1.20 0.00 0.00 173.24 175.31 1xt4 s THR 180 N -0.51 0.00 -0.26 6.45 -1.32 -0.63 -1.75 115.64 117.61 1xt4 s THR 180 Ca -0.04 -0.59 -0.04 0.00 -1.21 0.00 0.00 61.69 59.82 1xt4 s THR 180 Cb -0.04 -1.61 0.02 0.00 -1.51 0.00 0.00 72.50 69.35 1xt4 s THR 180 CO -0.00 0.00 -0.01 -1.81 -2.21 0.00 0.00 174.62 170.59 1xt4 s ASP 181 N -2.84 4.59 -0.06 8.08 1.01 -1.26 -1.59 116.67 124.59 1xt4 s ASP 181 Ca 0.07 -0.75 -0.27 0.00 0.71 0.00 0.00 52.55 52.31 1xt4 s ASP 181 Cb -0.04 -1.75 -0.03 0.00 1.01 0.00 0.00 42.92 42.12 1xt4 s ASP 181 CO -0.01 -0.13 0.89 -0.69 0.21 0.00 0.00 175.17 175.44 1xt4 s VAL 182 N 1.40 4.91 -0.26 -1.27 1.01 0.46 -4.28 120.40 122.37 1xt4 s VAL 182 Ca 0.02 1.83 0.01 0.00 0.00 0.00 0.00 61.98 63.84 1xt4 s VAL 182 Cb -0.16 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.07 1xt4 s VAL 182 CO -0.02 0.14 -0.01 -0.62 0.00 0.00 0.00 175.10 174.59 1xt4 s ASP 183 N 0.99 3.98 -0.07 3.32 -1.08 -1.15 -2.94 116.67 119.71 1xt4 s ASP 183 Ca 0.46 -1.38 0.04 0.00 -0.52 0.00 0.00 52.55 51.14 1xt4 s ASP 183 Cb -0.19 -1.17 0.00 0.00 -1.46 0.00 0.00 42.92 40.10 1xt4 s ASP 183 CO 0.22 -0.29 -0.19 0.00 0.52 0.00 0.00 175.17 175.42 1xt4 s ALA 184 N 1.38 1.75 -0.06 3.66 0.00 -0.67 -1.30 121.76 126.51 1xt4 s ALA 184 Ca -0.01 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1xt4 s ALA 184 Cb -0.19 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1xt4 s ALA 184 CO -0.10 0.26 -0.16 0.99 0.00 0.00 0.00 175.76 176.75 1xt4 s THR 185 N 0.26 1.41 -0.11 0.00 2.01 0.31 -1.37 115.64 118.15 1xt4 s THR 185 Ca -0.11 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1xt4 s THR 185 Cb -0.15 -1.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 1xt4 s THR 185 CO 0.05 0.41 -0.22 -1.66 -0.69 0.00 0.00 174.62 172.51 1xt4 s TRP 186 N 0.29 2.61 -0.23 4.92 -2.14 -0.19 0.50 118.94 124.71 1xt4 s TRP 186 Ca -0.09 -1.03 -0.11 0.00 2.66 0.00 0.00 56.10 57.52 1xt4 s TRP 186 Cb -0.14 -1.75 -0.05 0.00 -3.10 0.00 0.00 33.47 28.44 1xt4 s TRP 186 CO 0.04 -0.42 0.20 -1.14 -2.66 0.00 0.00 176.95 172.97 1xt4 s GLN 187 N 0.41 4.09 0.57 3.25 0.74 -0.07 -1.35 119.66 127.30 1xt4 s GLN 187 Ca -0.16 -0.18 -0.14 0.00 0.05 0.00 0.00 55.36 54.93 1xt4 s GLN 187 Cb -0.17 -3.54 -0.06 0.00 1.10 0.00 0.00 33.01 30.34 1xt4 s GLN 187 CO 0.07 0.04 1.01 -1.58 -0.55 0.00 0.00 175.29 174.28 1xt4 s TRP 188 N 1.10 3.54 0.53 1.67 0.52 -0.60 -0.22 118.94 125.49 1xt4 s TRP 188 Ca 0.10 1.37 -0.21 0.00 0.02 0.00 0.00 56.10 57.39 1xt4 s TRP 188 Cb -0.14 -2.75 -0.05 0.00 -1.15 0.00 0.00 33.47 29.37 1xt4 s TRP 188 CO 0.05 -0.53 1.19 0.21 0.02 0.00 0.00 176.95 177.89 1xt4 s LYS 189 N -4.64 3.33 0.34 4.98 2.20 0.04 -4.64 119.74 121.35 1xt4 s LYS 189 Ca 0.57 1.80 -0.28 0.00 -0.36 0.00 0.00 55.97 57.70 1xt4 s LYS 189 Cb -0.10 -2.13 -0.12 0.00 -1.51 0.00 0.00 37.83 33.97 1xt4 s LYS 189 CO 0.43 -0.91 1.26 -1.71 -0.36 0.00 0.00 175.35 174.06 1xt4 n ASN 190 N -1.12 2.61 -4.62 1.43 2.85 -1.26 -4.81 115.26 110.34 1xt4 n ASN 190 Ca 0.11 1.20 -0.31 0.00 -0.11 0.00 0.00 54.58 55.46 1xt4 n ASN 190 Cb 0.49 -1.47 -0.10 0.00 1.24 0.00 0.00 39.78 39.95 1xt4 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xt4 s PHE 191 N -1.10 2.89 0.11 1.20 0.08 -0.49 -4.95 117.98 115.72 1xt4 s PHE 191 Ca 0.56 -0.05 0.19 0.00 0.12 0.00 0.00 56.93 57.75 1xt4 s PHE 191 Cb -0.57 -1.56 0.60 0.00 -0.57 0.00 0.00 43.02 40.91 1xt4 s PHE 191 CO 0.62 0.42 1.69 0.66 -0.10 0.00 0.00 175.22 178.51 1xt4 h SER 192 N 4.05 0.00 0.00 1.36 4.64 -1.92 0.17 113.55 121.85 1xt4 h SER 192 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1xt4 h SER 192 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1xt4 h SER 192 CO 0.55 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 1xt4 n GLY 193 N 0.41 -1.29 0.27 -0.77 0.00 -1.26 -4.41 105.19 98.14 1xt4 n GLY 193 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.04 1xt4 n GLY 193 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xt4 h LEU 194 N 0.00 0.70 -0.76 0.99 3.38 -1.94 -2.46 115.31 115.23 1xt4 h LEU 194 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xt4 h LEU 194 Cb 0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1xt4 h LEU 194 CO 0.00 0.48 0.48 -0.61 0.09 0.00 0.00 178.44 178.89 1xt4 h GLN 195 N 0.84 0.93 -0.75 1.13 4.15 -1.99 0.21 115.11 119.63 1xt4 h GLN 195 Ca 0.28 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.59 1xt4 h GLN 195 Cb 0.03 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 1xt4 h GLN 195 CO -0.11 0.61 0.28 1.49 -1.93 0.00 0.00 178.83 179.17 1xt4 h GLU 196 N 0.96 1.13 -0.46 1.69 4.81 -1.86 -1.57 114.58 119.28 1xt4 h GLU 196 Ca 0.30 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1xt4 h GLU 196 Cb -0.02 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1xt4 h GLU 196 CO -0.10 0.93 0.09 0.28 -0.73 0.00 0.00 179.01 179.48 1xt4 h VAL 197 N 1.10 1.24 -0.47 0.32 2.07 -0.91 -2.33 116.25 117.28 1xt4 h VAL 197 Ca 0.25 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1xt4 h VAL 197 Cb 0.24 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1xt4 h VAL 197 CO -0.02 0.30 0.31 0.03 0.02 0.00 0.00 177.57 178.22 1xt4 h ARG 198 N 0.61 0.42 0.00 1.57 3.08 -0.28 -1.61 114.38 118.16 1xt4 h ARG 198 Ca 0.14 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1xt4 h ARG 198 Cb 0.36 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1xt4 h ARG 198 CO 0.01 0.27 -0.13 0.66 -1.07 0.00 0.00 179.97 179.71 1xt4 h SER 199 N 0.43 0.00 -0.41 7.04 4.64 -0.72 -3.03 113.55 121.49 1xt4 h SER 199 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1xt4 h SER 199 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xt4 h SER 199 CO -0.05 0.13 0.00 1.41 -0.87 0.00 0.00 176.83 177.45 1xt4 n HIS 200 N -3.42 0.53 -0.33 4.77 8.25 -0.62 -4.77 115.22 119.62 1xt4 n HIS 200 Ca -0.01 -0.32 0.01 0.00 -0.26 0.00 0.00 57.72 57.15 1xt4 n HIS 200 Cb 0.30 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.48 1xt4 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xt4 n VAL 201 N 1.25 -0.43 0.29 1.59 0.31 -1.13 -0.20 118.33 120.01 1xt4 n VAL 201 Ca 0.17 2.06 0.17 0.00 -0.01 0.00 0.00 64.34 66.74 1xt4 n VAL 201 Cb 0.54 -2.77 0.97 0.00 -0.91 0.00 0.00 33.84 31.67 1xt4 n VAL 201 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1xt4 h PRO 202 N 0.00 0.00 0.00 5.55 0.11 -1.88 -2.30 132.00 133.49 1xt4 h PRO 202 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1xt4 h PRO 202 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1xt4 h PRO 202 CO -0.89 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 177.77 1xt4 h LYS 203 N 0.00 0.00 0.47 1.05 1.57 -0.96 -3.29 116.57 115.42 1xt4 h LYS 203 Ca 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1xt4 h LYS 203 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1xt4 h LYS 203 CO -0.00 0.00 -0.23 0.74 -0.57 0.00 0.00 179.45 179.39 1xt4 h PHE 204 N 0.00 -0.59 -0.95 -1.35 0.04 -1.52 -1.29 116.94 111.27 1xt4 h PHE 204 Ca 0.00 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.77 1xt4 h PHE 204 Cb 0.61 0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.91 1xt4 h PHE 204 CO 0.00 -0.31 0.63 -0.44 -0.60 0.00 0.00 178.31 177.60 1xt4 h ASP 205 N -1.10 1.09 -0.10 2.17 3.32 -1.76 -1.17 116.42 118.87 1xt4 h ASP 205 Ca -0.07 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 1xt4 h ASP 205 Cb 0.55 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1xt4 h ASP 205 CO 0.11 0.79 -0.36 0.00 -1.72 0.00 0.00 179.24 178.05 1xt4 h ALA 206 N 1.41 0.86 -0.01 3.45 0.00 -1.62 -0.97 119.26 122.37 1xt4 h ALA 206 Ca 0.35 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1xt4 h ALA 206 Cb -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1xt4 h ALA 206 CO -0.08 0.64 -0.78 1.15 0.00 0.00 0.00 179.25 180.18 1xt4 h THR 207 N 0.51 1.49 -0.15 0.00 2.02 -0.81 -1.71 112.91 114.26 1xt4 h THR 207 Ca 0.05 -2.47 -0.02 0.00 0.77 0.00 0.00 66.41 64.74 1xt4 h THR 207 Cb 0.87 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.61 1xt4 h THR 207 CO 0.07 0.72 0.03 -0.25 0.37 0.00 0.00 175.52 176.46 1xt4 h TRP 208 N 0.09 0.25 -0.93 3.16 7.01 -0.97 -0.26 115.95 124.30 1xt4 h TRP 208 Ca -0.02 -0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.94 1xt4 h TRP 208 Cb 1.37 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 28.31 1xt4 h TRP 208 CO 0.02 0.41 0.57 0.00 -2.79 0.00 0.00 178.44 176.65 1xt4 h ALA 209 N 0.82 1.26 -0.36 2.65 0.00 -1.17 -2.12 119.26 120.33 1xt4 h ALA 209 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xt4 h ALA 209 Cb 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xt4 h ALA 209 CO 0.00 0.65 0.06 1.15 0.00 0.00 0.00 179.25 181.11 1xt4 h THR 210 N 1.28 1.24 -0.57 0.00 2.02 -1.05 -1.12 112.91 114.71 1xt4 h THR 210 Ca 0.34 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1xt4 h THR 210 Cb -0.07 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1xt4 h THR 210 CO -0.06 0.28 0.32 0.00 0.37 0.00 0.00 175.52 176.43 1xt4 h ALA 211 N 0.91 0.73 0.42 6.16 0.00 -0.68 -1.02 119.26 125.78 1xt4 h ALA 211 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xt4 h ALA 211 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xt4 h ALA 211 CO 0.01 0.23 -0.20 -0.09 0.00 0.00 0.00 179.25 179.20 1xt4 h ARG 212 N 0.77 -0.55 -0.47 0.00 2.43 -1.27 -0.94 114.38 114.36 1xt4 h ARG 212 Ca 0.20 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1xt4 h ARG 212 Cb 0.03 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1xt4 h ARG 212 CO -0.03 -0.36 0.28 1.49 -1.51 0.00 0.00 179.97 179.84 1xt4 h GLU 213 N -0.58 0.55 -0.66 0.20 4.81 -1.06 -0.99 114.58 116.85 1xt4 h GLU 213 Ca -0.06 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1xt4 h GLU 213 Cb 0.44 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1xt4 h GLU 213 CO 0.10 0.36 0.18 0.28 -0.73 0.00 0.00 179.01 179.20 1xt4 h VAL 214 N 0.56 1.26 0.06 0.32 2.07 -1.18 -0.34 116.25 119.00 1xt4 h VAL 214 Ca 0.19 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1xt4 h VAL 214 Cb 0.01 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1xt4 h VAL 214 CO -0.08 0.35 -0.07 0.74 0.02 0.00 0.00 177.57 178.52 1xt4 h THR 215 N 0.97 0.83 -0.29 2.57 2.02 -0.87 -0.73 112.91 117.42 1xt4 h THR 215 Ca 0.21 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1xt4 h THR 215 Cb 0.33 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1xt4 h THR 215 CO -0.00 0.00 0.05 -0.07 0.37 0.00 0.00 175.52 175.86 1xt4 h LEU 216 N -0.16 0.46 -0.34 2.58 3.38 -1.01 -2.00 115.31 118.22 1xt4 h LEU 216 Ca 0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1xt4 h LEU 216 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xt4 h LEU 216 CO -0.03 0.60 0.02 0.50 0.09 0.00 0.00 178.44 179.62 1xt4 h LYS 217 N 0.30 0.59 -0.69 1.13 3.64 -1.04 -1.68 116.57 118.82 1xt4 h LYS 217 Ca 0.09 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 1xt4 h LYS 217 Cb 0.34 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 1xt4 h LYS 217 CO 0.01 0.70 0.13 1.15 -2.27 0.00 0.00 179.45 179.16 1xt4 h THR 218 N 0.41 1.26 0.02 1.00 2.02 -1.13 -1.23 112.91 115.26 1xt4 h THR 218 Ca 0.10 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1xt4 h THR 218 Cb 0.43 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1xt4 h THR 218 CO 0.01 0.39 -0.01 0.15 0.37 0.00 0.00 175.52 176.44 1xt4 h PHE 219 N 1.06 -0.02 -0.56 3.16 3.57 -1.25 -0.98 116.94 121.92 1xt4 h PHE 219 Ca 0.21 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1xt4 h PHE 219 Cb 0.43 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1xt4 h PHE 219 CO 0.03 0.16 0.21 0.00 -2.23 0.00 0.00 178.31 176.48 1xt4 h ALA 220 N 0.77 1.32 0.00 2.41 0.00 -1.20 -3.33 119.26 119.24 1xt4 h ALA 220 Ca -0.00 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 1xt4 h ALA 220 Cb 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1xt4 h ALA 220 CO 0.00 0.50 -2.04 0.39 0.00 0.00 0.00 179.25 178.10 1xt4 n GLU 221 N -4.32 0.66 -1.94 0.00 1.02 -0.47 -4.94 120.64 110.64 1xt4 n GLU 221 Ca 0.05 0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1xt4 n GLU 221 Cb 0.17 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 1xt4 n GLU 221 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xt4 s ASP 222 N -5.73 6.58 -1.05 1.62 2.15 -0.38 -4.88 116.67 114.98 1xt4 s ASP 222 Ca -0.07 2.67 -0.18 0.00 0.43 0.00 0.00 52.55 55.39 1xt4 s ASP 222 Cb 0.07 -2.61 0.12 0.00 -0.30 0.00 0.00 42.92 40.20 1xt4 s ASP 222 CO 0.83 -0.79 1.33 0.21 -0.17 0.00 0.00 175.17 176.58 1xt4 s ASN 223 N 0.80 6.72 0.08 -0.34 3.84 -1.26 -4.86 114.94 119.93 1xt4 s ASN 223 Ca 0.66 -2.17 -0.31 0.00 0.21 0.00 0.00 52.86 51.25 1xt4 s ASN 223 Cb -0.44 -2.46 -0.09 0.00 -0.55 0.00 0.00 41.25 37.72 1xt4 s ASN 223 CO 0.37 -1.10 1.72 -0.55 -2.79 0.00 0.00 177.10 174.75 1xt4 s SER 224 N 3.82 6.54 0.31 -4.21 0.15 -1.03 -4.90 113.70 114.38 1xt4 s SER 224 Ca 0.40 2.57 0.22 0.00 0.70 0.00 0.00 55.95 59.85 1xt4 s SER 224 Cb -0.02 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 61.87 1xt4 s SER 224 CO -0.06 -0.93 1.30 0.00 1.20 0.00 0.00 173.24 174.75 1xt4 h ALA 225 N 8.51 0.73 0.00 5.45 0.00 -1.92 0.11 119.26 132.14 1xt4 h ALA 225 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xt4 h ALA 225 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xt4 h ALA 225 CO 0.94 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 179.09 1xt4 n SER 226 N -2.88 0.00 -0.27 0.00 3.41 -1.25 -4.31 113.62 108.32 1xt4 n SER 226 Ca 0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.57 1xt4 n SER 226 Cb 0.55 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.56 1xt4 n SER 226 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xt4 h VAL 227 N 0.11 1.25 -0.65 -3.33 2.07 -1.93 -2.45 116.25 111.31 1xt4 h VAL 227 Ca 0.00 -0.75 0.12 0.00 0.82 0.00 0.00 66.70 66.88 1xt4 h VAL 227 Cb 0.00 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.03 1xt4 h VAL 227 CO 0.00 0.31 0.22 1.56 0.02 0.00 0.00 177.57 179.68 1xt4 h GLN 228 N 1.07 0.36 -0.10 1.57 7.50 -1.97 -0.43 115.11 123.11 1xt4 h GLN 228 Ca 0.25 -0.02 -0.20 0.00 0.50 0.00 0.00 58.65 59.18 1xt4 h GLN 228 Cb 0.18 -0.08 0.01 0.00 0.05 0.00 0.00 27.48 27.64 1xt4 h GLN 228 CO -0.03 0.24 -0.72 0.00 -1.50 0.00 0.00 178.83 176.83 1xt4 h ALA 229 N 1.48 0.22 -0.52 3.87 0.00 -1.89 -2.61 119.26 119.81 1xt4 h ALA 229 Ca 0.34 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1xt4 h ALA 229 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1xt4 h ALA 229 CO -0.37 0.56 -0.08 1.15 0.00 0.00 0.00 179.25 180.50 1xt4 h THR 230 N 0.33 1.27 -0.33 0.00 2.02 -1.07 -2.91 112.91 112.22 1xt4 h THR 230 Ca -0.06 -1.22 -0.12 0.00 0.77 0.00 0.00 66.41 65.78 1xt4 h THR 230 Cb 1.36 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1xt4 h THR 230 CO 0.15 0.43 -0.28 0.00 0.37 0.00 0.00 175.52 176.18 1xt4 h MET 231 N 0.84 0.68 -0.87 6.66 -0.00 -1.06 -2.63 114.93 118.54 1xt4 h MET 231 Ca 0.14 -0.29 -0.00 0.00 -0.00 0.00 0.00 59.70 59.54 1xt4 h MET 231 Cb 0.64 -0.02 -0.04 0.00 -0.00 0.00 0.00 31.60 32.17 1xt4 h MET 231 CO 0.04 0.89 0.53 -0.92 -0.00 0.00 0.00 176.91 177.46 1xt4 h TYR 232 N 0.59 1.14 -0.88 -0.10 3.20 -1.45 -1.89 116.97 117.57 1xt4 h TYR 232 Ca 0.07 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1xt4 h TYR 232 Cb 0.78 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1xt4 h TYR 232 CO 0.04 0.76 0.53 0.87 -1.64 0.00 0.00 178.16 178.72 1xt4 h LYS 233 N 1.20 1.19 0.03 1.82 1.57 -1.27 0.51 116.57 121.61 1xt4 h LYS 233 Ca 0.31 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1xt4 h LYS 233 Cb -0.06 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.00 1xt4 h LYS 233 CO -0.06 0.82 -0.01 0.52 -0.57 0.00 0.00 179.45 180.15 1xt4 h MET 234 N 1.21 -0.04 -0.91 3.15 2.86 -1.10 -2.78 114.93 117.32 1xt4 h MET 234 Ca 0.32 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1xt4 h MET 234 Cb -0.06 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1xt4 h MET 234 CO -0.06 0.21 0.52 0.00 1.06 0.00 0.00 176.91 178.64 1xt4 h ALA 235 N 0.69 1.17 -0.45 6.32 0.00 -1.04 -2.12 119.26 123.82 1xt4 h ALA 235 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xt4 h ALA 235 Cb 0.26 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1xt4 h ALA 235 CO 0.01 0.65 0.24 1.49 0.00 0.00 0.00 179.25 181.63 1xt4 h GLU 236 N 1.27 0.46 -0.59 0.00 4.81 -0.89 -2.30 114.58 117.34 1xt4 h GLU 236 Ca 0.32 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.44 1xt4 h GLU 236 Cb -0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1xt4 h GLU 236 CO -0.06 0.30 0.02 1.96 -0.73 0.00 0.00 179.01 180.51 1xt4 h GLN 237 N 0.47 1.00 -0.54 1.92 4.20 -1.18 -2.78 115.11 118.21 1xt4 h GLN 237 Ca 0.19 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1xt4 h GLN 237 Cb 0.09 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1xt4 h GLN 237 CO -0.13 0.97 0.22 0.82 -0.67 0.00 0.00 178.83 180.04 1xt4 h ILE 238 N 0.93 1.22 -0.28 2.54 2.04 -1.09 -2.48 117.51 120.38 1xt4 h ILE 238 Ca 0.17 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1xt4 h ILE 238 Cb 0.51 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1xt4 h ILE 238 CO 0.02 0.26 0.06 -0.07 0.00 0.00 0.00 178.15 178.43 1xt4 h LEU 239 N 0.73 0.36 -0.48 1.44 3.38 -1.37 -2.23 115.31 117.14 1xt4 h LEU 239 Ca 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xt4 h LEU 239 Cb 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xt4 h LEU 239 CO -0.02 0.38 -0.15 0.00 0.09 0.00 0.00 178.44 178.74 1xt4 h ALA 240 N 1.68 0.93 0.00 1.53 0.00 -1.19 -3.29 119.26 118.93 1xt4 h ALA 240 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xt4 h ALA 240 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xt4 h ALA 240 CO -0.00 0.19 -0.80 0.54 0.00 0.00 0.00 179.25 179.17 1xt4 n ARG 241 N -3.18 0.33 -3.47 0.00 5.12 -0.85 -4.79 116.66 109.82 1xt4 n ARG 241 Ca 0.02 0.06 -0.18 0.00 -1.93 0.00 0.00 57.85 55.82 1xt4 n ARG 241 Cb 0.51 -1.67 -0.12 0.00 -1.16 0.00 0.00 32.46 30.02 1xt4 n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1xt4 s GLN 242 N -3.20 0.22 0.43 5.56 2.00 -1.14 -5.03 119.66 118.50 1xt4 s GLN 242 Ca 0.05 0.12 0.23 0.00 -2.00 0.00 0.00 55.36 53.75 1xt4 s GLN 242 Cb 0.13 -1.09 0.89 0.00 0.80 0.00 0.00 33.01 33.74 1xt4 s GLN 242 CO 0.75 -0.74 1.81 0.37 -0.50 0.00 0.00 175.29 176.99 1xt4 h GLN 243 N 8.30 0.00 0.00 1.67 5.75 -1.87 -3.06 115.11 125.91 1xt4 h GLN 243 Ca -0.17 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1xt4 h GLN 243 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1xt4 h GLN 243 CO 0.30 0.25 0.00 1.28 -2.65 0.00 0.00 178.83 178.01 1xt4 n LEU 244 N -3.42 0.00 -4.72 -2.39 4.32 -1.26 -4.72 117.00 104.81 1xt4 n LEU 244 Ca 0.00 0.28 -0.39 0.00 -0.02 0.00 0.00 56.01 55.88 1xt4 n LEU 244 Cb 0.44 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.90 1xt4 n LEU 244 CO 0.34 -0.04 0.31 -0.63 -1.22 0.00 0.00 177.39 176.15 1xt4 s ILE 245 N -2.57 5.10 -0.14 -0.08 -1.09 -1.16 -0.78 121.20 120.48 1xt4 s ILE 245 Ca 0.24 1.26 -0.10 0.00 -2.23 0.00 0.00 60.65 59.83 1xt4 s ILE 245 Cb 0.17 -3.96 -0.24 0.00 -1.58 0.00 0.00 42.46 36.85 1xt4 s ILE 245 CO 0.39 0.28 0.31 -0.62 -1.23 0.00 0.00 174.94 174.07 1xt4 n GLU 246 N 3.77 0.72 -3.86 2.79 -0.58 0.69 -4.88 120.64 119.30 1xt4 n GLU 246 Ca -0.03 0.32 -0.11 0.00 -0.42 0.00 0.00 57.16 56.92 1xt4 n GLU 246 Cb 0.51 -1.71 -0.11 0.00 -0.57 0.00 0.00 31.44 29.56 1xt4 n GLU 246 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1xt4 s THR 247 N -2.52 0.06 -0.11 2.62 -4.23 -1.21 -3.95 115.64 106.30 1xt4 s THR 247 Ca -0.24 -0.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 1xt4 s THR 247 Cb 0.07 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.54 1xt4 s THR 247 CO 0.73 -0.25 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.73 1xt4 s VAL 248 N -0.87 3.04 -0.06 2.29 1.01 -0.16 -0.89 120.40 124.76 1xt4 s VAL 248 Ca -0.10 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1xt4 s VAL 248 Cb -0.05 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 1xt4 s VAL 248 CO 0.01 0.54 -0.20 -0.70 0.00 0.00 0.00 175.10 174.75 1xt4 s GLU 249 N 0.09 2.24 0.00 2.72 2.12 0.18 -0.83 118.70 125.23 1xt4 s GLU 249 Ca -0.06 -0.70 0.07 0.00 0.36 0.00 0.00 54.97 54.64 1xt4 s GLU 249 Cb -0.15 -1.84 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 1xt4 s GLU 249 CO 0.05 0.22 -0.22 0.71 -0.54 0.00 0.00 175.26 175.47 1xt4 s TYR 250 N 0.18 2.44 -0.17 5.30 2.02 -0.70 -0.53 117.35 125.90 1xt4 s TYR 250 Ca -0.09 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 1xt4 s TYR 250 Cb -0.14 -1.49 0.06 0.00 -0.40 0.00 0.00 41.96 39.98 1xt4 s TYR 250 CO 0.04 0.10 0.05 0.45 -1.57 0.00 0.00 175.55 174.63 1xt4 s SER 251 N -0.95 2.54 -0.14 2.29 0.15 -0.42 -1.93 113.70 115.24 1xt4 s SER 251 Ca 0.12 -0.65 -0.00 0.00 0.70 0.00 0.00 55.95 56.11 1xt4 s SER 251 Cb -0.10 -0.46 0.03 0.00 -1.71 0.00 0.00 66.02 63.78 1xt4 s SER 251 CO 0.01 -0.31 -0.09 -0.76 1.20 0.00 0.00 173.24 173.29 1xt4 s LEU 252 N 1.97 1.53 0.41 3.45 1.43 0.34 -2.95 118.68 124.85 1xt4 s LEU 252 Ca 0.01 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 1xt4 s LEU 252 Cb -0.16 -1.00 -0.09 0.00 0.03 0.00 0.00 46.19 44.98 1xt4 s LEU 252 CO -0.08 -0.12 1.10 -2.16 0.23 0.00 0.00 176.35 175.32 1xt4 s PRO 253 N 1.60 4.06 -0.45 1.29 0.04 -1.26 -1.17 135.00 139.10 1xt4 s PRO 253 Ca 0.04 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 1xt4 s PRO 253 Cb -0.13 -2.54 0.10 0.00 0.04 0.00 0.00 34.50 31.97 1xt4 s PRO 253 CO -0.09 -0.26 0.31 1.21 0.04 0.00 0.00 177.00 178.21 1xt4 s ASN 254 N -1.44 5.68 -0.47 6.66 2.47 0.58 -4.33 114.94 124.08 1xt4 s ASN 254 Ca 0.59 -1.75 -0.26 0.00 0.42 0.00 0.00 52.86 51.86 1xt4 s ASN 254 Cb -0.25 -2.00 0.03 0.00 -1.45 0.00 0.00 41.25 37.58 1xt4 s ASN 254 CO 0.31 -0.63 0.95 -0.54 -3.72 0.00 0.00 177.10 173.47 1xt4 s LYS 255 N 1.39 3.54 0.25 0.43 1.02 -0.72 -2.62 119.74 123.03 1xt4 s LYS 255 Ca 0.05 0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.92 1xt4 s LYS 255 Cb -0.25 -3.93 -0.09 0.00 -0.52 0.00 0.00 37.83 33.04 1xt4 s LYS 255 CO 0.00 -1.27 0.95 -1.01 -0.92 0.00 0.00 175.35 173.11 1xt4 s HIS 256 N 3.86 3.94 -0.26 3.18 3.76 -1.26 -4.26 115.29 124.25 1xt4 s HIS 256 Ca 0.38 1.89 0.02 0.00 -0.15 0.00 0.00 55.06 57.21 1xt4 s HIS 256 Cb -0.10 -2.99 0.06 0.00 1.11 0.00 0.00 32.58 30.67 1xt4 s HIS 256 CO 0.27 0.38 -0.08 0.71 -0.85 0.00 0.00 174.74 175.17 1xt4 s TYR 257 N -1.23 3.00 0.18 1.40 1.51 -1.26 -1.07 117.35 119.88 1xt4 s TYR 257 Ca 0.42 -2.18 -0.16 0.00 -1.01 0.00 0.00 57.07 54.13 1xt4 s TYR 257 Cb -0.25 -1.89 -0.08 0.00 -0.11 0.00 0.00 41.96 39.63 1xt4 s TYR 257 CO 0.32 -0.85 0.62 -0.06 -1.11 0.00 0.00 175.55 174.47 1xt4 s PHE 258 N 1.19 3.61 0.55 2.71 0.08 -0.56 -4.84 117.98 120.72 1xt4 s PHE 258 Ca -0.06 1.19 -0.20 0.00 0.12 0.00 0.00 56.93 57.99 1xt4 s PHE 258 Cb -0.20 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.73 1xt4 s PHE 258 CO -0.06 0.38 1.17 -1.21 -0.10 0.00 0.00 175.22 175.40 1xt4 s GLU 259 N -2.01 3.25 -0.23 0.44 2.02 -1.26 -0.57 118.70 120.34 1xt4 s GLU 259 Ca 0.40 1.72 -0.02 0.00 0.02 0.00 0.00 54.97 57.09 1xt4 s GLU 259 Cb -0.15 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.07 1xt4 s GLU 259 CO 0.20 -0.95 -0.06 0.42 0.02 0.00 0.00 175.26 174.88 1xt4 s ILE 260 N -1.67 2.99 -0.38 -1.63 1.01 -1.25 -4.81 121.20 115.45 1xt4 s ILE 260 Ca 0.74 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 1xt4 s ILE 260 Cb -0.27 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1xt4 s ILE 260 CO 0.30 0.30 1.21 -0.62 0.00 0.00 0.00 174.94 176.13 1xt4 s ASP 261 N 1.38 6.67 -0.03 3.58 -1.08 -1.26 -4.55 116.67 121.37 1xt4 s ASP 261 Ca 0.03 0.85 0.15 0.00 -0.52 0.00 0.00 52.55 53.06 1xt4 s ASP 261 Cb -0.15 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.23 1xt4 s ASP 261 CO -0.05 -1.15 1.39 0.18 0.52 0.00 0.00 175.17 176.06 1xt4 n LEU 262 N 7.72 3.50 0.27 -1.34 4.77 -1.26 -4.63 117.00 126.03 1xt4 n LEU 262 Ca 0.13 -2.14 0.13 0.00 -0.03 0.00 0.00 56.01 54.11 1xt4 n LEU 262 Cb 0.48 -0.37 0.76 0.00 -2.33 0.00 0.00 43.42 41.96 1xt4 n LEU 262 CO 0.66 0.80 1.00 0.77 -1.33 0.00 0.00 177.39 179.30 1xt4 h SER 263 N 2.84 0.00 0.42 -1.43 4.64 -1.70 -0.71 113.55 117.62 1xt4 h SER 263 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xt4 h SER 263 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1xt4 h SER 263 CO 0.05 0.10 0.00 -2.67 -0.87 0.00 0.00 176.83 173.43 1xt4 n TRP 264 N -3.64 0.32 -3.73 4.77 4.27 -1.26 -1.78 117.44 116.39 1xt4 n TRP 264 Ca -0.02 0.13 -0.37 0.00 -3.89 0.00 0.00 57.50 53.36 1xt4 n TRP 264 Cb 0.21 -0.72 -0.10 0.00 -1.36 0.00 0.00 31.31 29.35 1xt4 n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1xt4 s HIS 265 N -3.15 3.47 -1.71 -2.67 5.04 -0.27 -4.70 115.29 111.29 1xt4 s HIS 265 Ca 0.04 -2.58 -0.01 0.00 -1.54 0.00 0.00 55.06 50.97 1xt4 s HIS 265 Cb 0.07 -3.23 0.00 0.00 0.04 0.00 0.00 32.58 29.47 1xt4 s HIS 265 CO 0.25 -0.89 0.15 1.63 -2.34 0.00 0.00 174.74 173.54 1xt4 n LYS 266 N 3.89 -2.51 -1.44 2.88 5.02 -1.26 -2.06 118.16 122.68 1xt4 n LYS 266 Ca 0.04 0.97 -0.15 0.00 -2.02 0.00 0.00 58.31 57.15 1xt4 n LYS 266 Cb 0.39 -5.69 -0.07 0.00 -0.02 0.00 0.00 35.03 29.64 1xt4 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xt4 n GLY 267 N -1.14 1.47 3.59 0.72 0.00 -0.74 -4.92 105.19 104.18 1xt4 n GLY 267 Ca -0.21 -0.05 -0.50 0.00 0.00 0.00 0.00 46.02 45.25 1xt4 n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xt4 n LEU 268 N -1.73 1.73 -4.38 0.99 7.94 -0.87 -4.77 117.00 115.90 1xt4 n LEU 268 Ca -0.15 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.47 1xt4 n LEU 268 Cb 0.61 -1.22 -0.11 0.00 0.53 0.00 0.00 43.42 43.23 1xt4 n LEU 268 CO 0.23 -1.07 -0.15 -1.10 -1.11 0.00 0.00 177.39 174.19 1xt4 s GLN 269 N 0.20 2.84 -0.02 1.96 -1.52 -1.26 -1.99 119.66 119.87 1xt4 s GLN 269 Ca 0.80 -1.07 0.03 0.00 -1.95 0.00 0.00 55.36 53.16 1xt4 s GLN 269 Cb -0.90 -3.74 0.04 0.00 -0.22 0.00 0.00 33.01 28.19 1xt4 s GLN 269 CO 0.48 -0.70 1.02 -1.71 -0.25 0.00 0.00 175.29 174.13 1xt4 n ASN 270 N 5.01 0.32 -4.63 5.90 5.15 -1.26 -4.68 115.26 121.06 1xt4 n ASN 270 Ca -0.12 -2.15 -0.26 0.00 -0.60 0.00 0.00 54.58 51.46 1xt4 n ASN 270 Cb 0.46 -0.23 -0.09 0.00 -0.53 0.00 0.00 39.78 39.39 1xt4 n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xt4 s THR 271 N -0.39 2.31 0.00 -0.44 -4.23 -1.26 -3.60 115.64 108.02 1xt4 s THR 271 Ca 0.04 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1xt4 s THR 271 Cb 0.04 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 71.01 1xt4 s THR 271 CO 0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1xt4 n GLY 272 N -0.98 3.01 0.20 3.99 0.00 -1.26 -0.24 105.19 109.91 1xt4 n GLY 272 Ca -0.04 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1xt4 n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xt4 h LYS 273 N 0.00 0.00 -0.34 1.61 3.64 -2.00 -2.31 116.57 117.17 1xt4 h LYS 273 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xt4 h LYS 273 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xt4 h LYS 273 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1xt4 n ASN 274 N -2.57 2.98 -4.67 4.20 4.13 0.67 -4.96 115.26 115.04 1xt4 n ASN 274 Ca 0.00 -1.93 -0.42 0.00 1.68 0.00 0.00 54.58 53.92 1xt4 n ASN 274 Cb 0.20 -0.22 -0.03 0.00 -1.54 0.00 0.00 39.78 38.19 1xt4 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xt4 s ALA 275 N -1.56 3.63 0.00 5.41 0.00 -0.87 -4.28 121.76 124.08 1xt4 s ALA 275 Ca 0.37 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1xt4 s ALA 275 Cb 0.21 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1xt4 s ALA 275 CO 0.30 -1.33 0.00 0.39 0.00 0.00 0.00 175.76 175.12 1xt4 n GLU 276 N 6.77 0.43 -3.96 0.00 1.02 -1.26 -4.97 120.64 118.66 1xt4 n GLU 276 Ca 0.17 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.96 1xt4 n GLU 276 Cb 0.42 -0.80 -0.13 0.00 -0.02 0.00 0.00 31.44 30.91 1xt4 n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xt4 s VAL 277 N -1.60 3.93 0.31 2.62 1.01 -1.26 -5.11 120.40 120.31 1xt4 s VAL 277 Ca 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 61.78 1xt4 s VAL 277 Cb 0.00 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1xt4 s VAL 277 CO 0.00 0.40 -0.15 -0.36 0.00 0.00 0.00 175.10 175.00 1xt4 s PHE 278 N 1.25 2.35 -0.33 5.22 0.40 -1.26 -3.77 117.98 121.84 1xt4 s PHE 278 Ca 0.04 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1xt4 s PHE 278 Cb -0.15 -1.19 0.05 0.00 0.51 0.00 0.00 43.02 42.25 1xt4 s PHE 278 CO 0.01 0.65 0.08 0.00 0.70 0.00 0.00 175.22 176.66 1xt4 s ALA 279 N -2.56 2.98 0.30 5.36 0.00 0.26 -4.93 121.76 123.17 1xt4 s ALA 279 Ca 0.31 -1.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.18 1xt4 s ALA 279 Cb -0.01 -2.17 -0.10 0.00 0.00 0.00 0.00 23.12 20.83 1xt4 s ALA 279 CO 0.16 -1.35 1.43 -2.14 0.00 0.00 0.00 175.76 173.86 1xt4 s PRO 280 N 1.34 4.25 -0.16 0.00 0.02 -1.26 -1.50 135.00 137.68 1xt4 s PRO 280 Ca -0.02 2.35 -0.06 0.00 0.02 0.00 0.00 61.00 63.29 1xt4 s PRO 280 Cb -0.20 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.22 1xt4 s PRO 280 CO 0.01 -0.40 0.03 -0.65 -0.33 0.00 0.00 177.00 175.66 1xt4 s GLN 281 N -1.05 3.79 0.08 5.54 -1.52 -0.23 -4.91 119.66 121.36 1xt4 s GLN 281 Ca 0.56 -0.39 -0.13 0.00 -1.95 0.00 0.00 55.36 53.45 1xt4 s GLN 281 Cb -0.43 -3.10 -0.23 0.00 -0.22 0.00 0.00 33.01 29.04 1xt4 s GLN 281 CO 0.50 0.33 1.18 0.77 -0.25 0.00 0.00 175.29 177.81 1xt4 h SER 282 N 6.48 0.86 -5.02 5.90 0.02 -1.94 -3.40 113.55 116.47 1xt4 h SER 282 Ca -0.37 -0.72 -0.03 0.00 -0.84 0.00 0.00 61.79 59.83 1xt4 h SER 282 Cb 1.18 -0.27 -0.12 0.00 0.14 0.00 0.00 62.40 63.33 1xt4 h SER 282 CO 0.67 1.52 0.15 1.51 -1.14 0.00 0.00 176.83 179.53 1xt4 s ASP 283 N -7.30 -0.49 1.02 3.07 1.47 -1.26 -4.79 116.67 108.39 1xt4 s ASP 283 Ca -0.09 -0.08 -0.17 0.00 1.18 0.00 0.00 52.55 53.39 1xt4 s ASP 283 Cb 0.07 0.57 0.23 0.00 -0.34 0.00 0.00 42.92 43.45 1xt4 s ASP 283 CO 0.92 -0.95 1.30 -2.16 0.68 0.00 0.00 175.17 174.96 1xt4 s PRO 284 N -3.76 0.16 0.01 2.11 0.04 -1.26 -5.12 135.00 127.17 1xt4 s PRO 284 Ca 0.02 -0.42 -0.04 0.00 0.04 0.00 0.00 61.00 60.60 1xt4 s PRO 284 Cb -0.00 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1xt4 s PRO 284 CO -0.13 -2.73 0.07 0.54 0.04 0.00 0.00 177.00 174.79 1xt4 s ASN 285 N -4.77 0.10 0.49 6.66 4.22 -1.26 -4.75 114.94 115.63 1xt4 s ASN 285 Ca 0.75 -0.28 -0.22 0.00 -2.14 0.00 0.00 52.86 50.97 1xt4 s ASN 285 Cb -0.04 0.16 -0.07 0.00 1.28 0.00 0.00 41.25 42.59 1xt4 s ASN 285 CO 0.54 -0.31 1.18 -0.83 -2.04 0.00 0.00 177.10 175.65 1xt4 s GLY 286 N -1.26 2.76 -0.10 0.45 0.00 -1.08 -4.83 107.32 103.27 1xt4 s GLY 286 Ca -0.14 0.97 -0.01 0.00 0.00 0.00 0.00 44.72 45.54 1xt4 s GLY 286 CO 0.00 1.41 -0.03 -2.27 0.00 0.00 0.00 173.10 172.21 1xt4 s LEU 287 N -3.28 0.90 -0.11 0.66 2.96 -1.26 -0.31 118.68 118.24 1xt4 s LEU 287 Ca 0.67 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 1xt4 s LEU 287 Cb -0.29 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 45.77 1xt4 s LEU 287 CO 0.35 -0.16 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.42 1xt4 s ILE 288 N 1.84 1.56 0.18 6.68 -1.09 -0.32 -4.99 121.20 125.06 1xt4 s ILE 288 Ca 0.05 -0.68 0.08 0.00 -2.23 0.00 0.00 60.65 57.86 1xt4 s ILE 288 Cb -0.13 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 1xt4 s ILE 288 CO -0.07 0.45 -0.16 -0.54 -1.23 0.00 0.00 174.94 173.40 1xt4 s LYS 289 N 0.94 1.27 -0.27 2.79 1.02 -1.26 -0.50 119.74 123.72 1xt4 s LYS 289 Ca -0.07 -1.48 -0.25 0.00 0.02 0.00 0.00 55.97 54.19 1xt4 s LYS 289 Cb -0.15 -1.16 0.10 0.00 -0.52 0.00 0.00 37.83 36.10 1xt4 s LYS 289 CO -0.01 0.21 0.89 0.00 -0.92 0.00 0.00 175.35 175.53 1xt4 s THR 291 N 0.25 3.20 -0.11 0.00 2.01 -1.26 -1.71 115.64 118.02 1xt4 s THR 291 Ca 0.02 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1xt4 s THR 291 Cb -0.05 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 1xt4 s THR 291 CO -0.03 0.45 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 1xt4 s VAL 292 N 1.24 3.00 0.00 3.82 1.01 -0.01 -4.99 120.40 124.47 1xt4 s VAL 292 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1xt4 s VAL 292 Cb -0.14 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1xt4 s VAL 292 CO -0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1xt4 n GLY 293 N 3.19 4.90 3.75 4.51 0.00 -1.26 -0.99 105.19 119.29 1xt4 n GLY 293 Ca -0.18 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1xt4 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xt4 s ARG 294 N -0.89 4.18 0.00 1.61 0.52 -1.25 -5.03 118.95 118.09 1xt4 s ARG 294 Ca 0.00 0.25 0.21 0.00 -0.52 0.00 0.00 55.73 55.67 1xt4 s ARG 294 Cb 0.00 -3.38 1.23 0.00 0.52 0.00 0.00 34.95 33.32 1xt4 s ARG 294 CO 0.00 0.32 1.61 -1.13 0.02 0.00 0.00 175.30 176.13