#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa4 s PRO 5 N 0.00 4.57 0.52 3.23 0.04 -1.26 -5.13 135.00 136.97 1xa4 s PRO 5 Ca 0.00 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 1xa4 s PRO 5 Cb 0.00 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 1xa4 s PRO 5 CO 0.00 0.15 1.01 -1.25 0.04 0.00 0.00 177.00 176.95 1xa4 s PRO 7 N -1.57 3.81 -0.27 0.56 0.04 -1.26 -5.17 135.00 131.13 1xa4 s PRO 7 Ca 0.46 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.47 1xa4 s PRO 7 Cb -0.31 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1xa4 s PRO 7 CO 0.40 -0.40 0.35 0.21 0.04 0.00 0.00 177.00 177.61 1xa4 s LYS 8 N -3.80 4.00 -0.08 4.56 2.20 -1.26 -5.04 119.74 120.32 1xa4 s LYS 8 Ca 0.62 -0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.92 1xa4 s LYS 8 Cb -0.12 -3.66 0.11 0.00 -1.51 0.00 0.00 37.83 32.65 1xa4 s LYS 8 CO 0.28 -0.28 0.91 -0.59 -0.36 0.00 0.00 175.35 175.32 1xa4 s PHE 9 N 2.04 -0.40 0.00 4.03 -0.12 -1.26 -5.11 117.98 117.16 1xa4 s PHE 9 Ca 0.14 0.52 0.00 0.00 -0.05 0.00 0.00 56.93 57.54 1xa4 s PHE 9 Cb -0.16 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 1xa4 s PHE 9 CO 0.10 -0.46 0.00 0.41 -0.05 0.00 0.00 175.22 175.22 1xa4 n GLY 10 N 0.35 -0.92 0.29 1.99 0.00 -1.23 -3.65 105.19 102.02 1xa4 n GLY 10 Ca -0.11 -1.65 0.18 0.00 0.00 0.00 0.00 46.02 44.45 1xa4 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xa4 h PRO 11 N 0.00 0.00 -0.44 1.61 0.13 -1.54 -3.14 132.00 128.61 1xa4 h PRO 11 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xa4 h PRO 11 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xa4 h PRO 11 CO 0.00 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.06 1xa4 n LEU 12 N -3.12 3.64 -4.59 1.56 4.77 -0.34 -4.98 117.00 113.93 1xa4 n LEU 12 Ca -0.00 -2.30 -0.53 0.00 -0.03 0.00 0.00 56.01 53.15 1xa4 n LEU 12 Cb 0.25 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1xa4 n LEU 12 CO 0.26 0.77 0.91 0.00 -1.33 0.00 0.00 177.39 178.00 1xa4 n ALA 13 N 0.58 -1.19 0.00 -1.18 0.00 -1.19 -1.59 120.51 115.94 1xa4 n ALA 13 Ca 0.18 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1xa4 n ALA 13 Cb 0.64 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1xa4 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xa4 n GLY 14 N 2.58 1.13 3.78 0.00 0.00 -1.26 -4.96 105.19 106.46 1xa4 n GLY 14 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1xa4 n GLY 14 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xa4 s LEU 15 N 0.00 4.55 -0.24 0.99 2.96 -0.62 -4.92 118.68 121.41 1xa4 s LEU 15 Ca 0.00 1.64 -0.04 0.00 -0.22 0.00 0.00 54.13 55.51 1xa4 s LEU 15 Cb 0.00 -3.38 -0.00 0.00 0.50 0.00 0.00 46.19 43.31 1xa4 s LEU 15 CO 0.00 0.17 -0.03 -0.13 -1.32 0.00 0.00 176.35 175.05 1xa4 s ARG 16 N -1.30 3.26 -0.02 1.98 0.52 -1.26 -1.07 118.95 121.06 1xa4 s ARG 16 Ca 0.37 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 1xa4 s ARG 16 Cb -0.22 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 1xa4 s ARG 16 CO 0.26 -0.26 -0.18 0.08 0.02 0.00 0.00 175.30 175.21 1xa4 s VAL 17 N 1.46 1.45 -0.02 3.52 1.01 0.02 -1.13 120.40 126.72 1xa4 s VAL 17 Ca 0.05 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1xa4 s VAL 17 Cb -0.15 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1xa4 s VAL 17 CO -0.03 0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 174.69 1xa4 s VAL 18 N -0.32 0.93 0.03 2.92 1.01 -0.43 -0.81 120.40 123.74 1xa4 s VAL 18 Ca 0.04 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1xa4 s VAL 18 Cb -0.08 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1xa4 s VAL 18 CO 0.00 0.27 -0.12 0.72 0.00 0.00 0.00 175.10 175.98 1xa4 s PHE 19 N -0.05 1.02 -0.19 5.22 -0.12 -0.39 -1.13 117.98 122.34 1xa4 s PHE 19 Ca 0.01 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 1xa4 s PHE 19 Cb -0.07 -0.61 0.04 0.00 -0.63 0.00 0.00 43.02 41.74 1xa4 s PHE 19 CO 0.00 0.01 -0.13 0.45 -0.05 0.00 0.00 175.22 175.50 1xa4 s SER 20 N -1.07 3.30 0.00 1.98 0.15 -0.16 -1.65 113.70 116.25 1xa4 s SER 20 Ca -0.00 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1xa4 s SER 20 Cb -0.07 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1xa4 s SER 20 CO 0.01 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1xa4 n GLY 21 N 4.66 1.00 3.38 9.45 0.00 -1.26 -1.66 105.19 120.76 1xa4 n GLY 21 Ca -0.16 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 1xa4 n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xa4 s ILE 22 N -2.00 0.74 0.00 -0.61 -4.36 -1.26 -4.75 121.20 108.95 1xa4 s ILE 22 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1xa4 s ILE 22 Cb 0.00 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 41.07 1xa4 s ILE 22 CO 0.00 0.00 0.00 -0.62 0.24 0.00 0.00 174.94 174.56 1xa4 n GLU 23 N -0.60 0.00 -0.07 0.37 -0.58 -1.26 -4.40 120.64 114.10 1xa4 n GLU 23 Ca -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 1xa4 n GLU 23 Cb 0.66 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.51 1xa4 n GLU 23 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1xa4 n ILE 24 N 0.00 1.29 0.33 -3.67 5.41 -1.26 -4.55 119.36 116.92 1xa4 n ILE 24 Ca 0.00 0.22 -0.17 0.00 1.00 0.00 0.00 62.75 63.80 1xa4 n ILE 24 Cb 0.00 -2.28 -0.09 0.00 -0.71 0.00 0.00 39.64 36.57 1xa4 n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xa4 h ALA 25 N -1.11 -0.81 -0.10 -1.39 0.00 -1.77 0.50 119.26 114.59 1xa4 h ALA 25 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xa4 h ALA 25 Cb 0.66 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xa4 h ALA 25 CO 0.00 -0.93 -0.05 0.78 0.00 0.00 0.00 179.25 179.05 1xa4 h GLY 26 N -0.85 0.22 1.36 0.00 0.00 -1.88 -2.87 103.07 99.05 1xa4 h GLY 26 Ca -0.08 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.08 1xa4 h GLY 26 CO 0.14 0.19 0.34 -2.55 0.00 0.00 0.00 176.54 174.65 1xa4 h PRO 27 N -0.16 0.53 -0.63 4.80 0.11 -1.79 -2.12 132.00 132.75 1xa4 h PRO 27 Ca 0.02 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1xa4 h PRO 27 Cb 0.51 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1xa4 h PRO 27 CO 0.01 0.35 0.28 0.35 -0.21 0.00 0.00 178.00 178.78 1xa4 h PHE 28 N 0.54 0.93 -0.49 0.65 3.57 -0.83 0.19 116.94 121.51 1xa4 h PHE 28 Ca 0.21 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1xa4 h PHE 28 Cb 0.15 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1xa4 h PHE 28 CO -0.00 0.72 0.29 0.00 -2.23 0.00 0.00 178.31 177.08 1xa4 h ALA 29 N 1.12 0.63 -0.18 2.41 0.00 -1.18 -3.07 119.26 118.99 1xa4 h ALA 29 Ca 0.21 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1xa4 h ALA 29 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xa4 h ALA 29 CO -0.02 -0.02 -0.16 0.78 0.00 0.00 0.00 179.25 179.83 1xa4 h GLY 30 N 0.57 0.45 -4.19 0.00 0.00 -1.08 -3.34 103.07 95.48 1xa4 h GLY 30 Ca 0.20 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1xa4 h GLY 30 CO -0.10 0.41 0.10 -0.18 0.00 0.00 0.00 176.54 176.77 1xa4 n GLN 31 N -4.51 0.55 0.00 4.80 0.00 0.65 -3.43 117.38 115.44 1xa4 n GLN 31 Ca -0.06 -0.19 0.00 0.00 -0.00 0.00 0.00 57.00 56.75 1xa4 n GLN 31 Cb 0.37 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 29.09 1xa4 n GLN 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xa4 n PHE 33 N 2.37 0.00 0.04 3.69 3.72 -1.25 -1.87 117.46 124.15 1xa4 n PHE 33 Ca 0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.45 1xa4 n PHE 33 Cb 0.26 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.00 1xa4 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xa4 h ALA 34 N 0.00 1.09 -0.22 4.37 0.00 -1.77 -2.09 119.26 120.64 1xa4 h ALA 34 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1xa4 h ALA 34 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xa4 h ALA 34 CO 0.00 0.57 0.15 0.93 0.00 0.00 0.00 179.25 180.90 1xa4 h GLU 35 N 0.37 0.06 -0.34 0.00 4.39 -1.70 -3.03 114.58 114.32 1xa4 h GLU 35 Ca 0.05 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1xa4 h GLU 35 Cb 0.72 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1xa4 h GLU 35 CO 0.06 0.04 0.00 0.91 -1.16 0.00 0.00 179.01 178.85 1xa4 n TRP 36 N -4.48 0.82 0.00 4.33 8.01 -0.92 -3.80 117.44 121.39 1xa4 n TRP 36 Ca 0.02 -0.68 0.00 0.00 -1.31 0.00 0.00 57.50 55.52 1xa4 n TRP 36 Cb 0.26 -0.19 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 1xa4 n TRP 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xa4 n GLY 37 N 0.12 0.95 3.80 6.99 0.00 -1.06 -1.20 105.19 114.79 1xa4 n GLY 37 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1xa4 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa4 s ALA 38 N -2.00 2.72 -0.41 4.61 0.00 -0.83 -3.57 121.76 122.28 1xa4 s ALA 38 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 1xa4 s ALA 38 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1xa4 s ALA 38 CO 0.00 -0.84 1.06 -2.00 0.00 0.00 0.00 175.76 173.98 1xa4 s GLU 39 N -4.04 3.82 -0.12 0.00 2.12 -0.24 -4.45 118.70 115.80 1xa4 s GLU 39 Ca 0.64 0.67 0.03 0.00 0.36 0.00 0.00 54.97 56.67 1xa4 s GLU 39 Cb -0.17 -3.84 0.01 0.00 0.26 0.00 0.00 34.13 30.39 1xa4 s GLU 39 CO 0.37 -1.15 -0.21 0.08 -0.54 0.00 0.00 175.26 173.80 1xa4 s VAL 40 N 3.98 1.96 -0.22 3.70 1.01 -1.26 -0.80 120.40 128.78 1xa4 s VAL 40 Ca 0.44 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1xa4 s VAL 40 Cb -0.10 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1xa4 s VAL 40 CO 0.24 0.53 0.07 -0.63 0.00 0.00 0.00 175.10 175.32 1xa4 s ILE 41 N 0.70 4.57 -0.37 2.22 1.01 0.01 -1.15 121.20 128.19 1xa4 s ILE 41 Ca -0.10 -0.10 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 1xa4 s ILE 41 Cb -0.16 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1xa4 s ILE 41 CO 0.01 0.39 0.38 0.86 0.00 0.00 0.00 174.94 176.58 1xa4 s TRP 42 N 1.05 3.20 -0.10 3.97 -0.00 0.66 -1.26 118.94 126.45 1xa4 s TRP 42 Ca 0.04 -0.17 -0.21 0.00 -0.00 0.00 0.00 56.10 55.76 1xa4 s TRP 42 Cb -0.14 -2.73 -0.04 0.00 -0.00 0.00 0.00 33.47 30.56 1xa4 s TRP 42 CO 0.03 -0.52 0.59 0.42 -0.00 0.00 0.00 176.95 177.47 1xa4 s ILE 43 N 2.03 5.11 0.29 5.86 1.01 -0.66 -1.16 121.20 133.68 1xa4 s ILE 43 Ca 0.11 1.20 0.11 0.00 0.00 0.00 0.00 60.65 62.07 1xa4 s ILE 43 Cb -0.17 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1xa4 s ILE 43 CO 0.12 0.27 -0.16 -1.61 0.00 0.00 0.00 174.94 173.56 1xa4 s GLU 44 N 0.82 1.69 1.26 2.79 2.02 0.28 -4.40 118.70 123.17 1xa4 s GLU 44 Ca 0.32 -1.80 -0.19 0.00 0.02 0.00 0.00 54.97 53.32 1xa4 s GLU 44 Cb -0.16 -1.69 0.31 0.00 0.10 0.00 0.00 34.13 32.69 1xa4 s GLU 44 CO 0.14 0.26 1.02 -0.80 0.02 0.00 0.00 175.26 175.90 1xa4 s ASN 45 N -3.52 0.29 -0.16 -0.19 0.01 -1.25 -2.00 114.94 108.13 1xa4 s ASN 45 Ca 0.30 0.92 -0.13 0.00 -0.71 0.00 0.00 52.86 53.24 1xa4 s ASN 45 Cb -0.03 -1.35 -0.08 0.00 0.41 0.00 0.00 41.25 40.20 1xa4 s ASN 45 CO 0.15 -4.54 -0.04 0.58 -1.51 0.00 0.00 177.10 171.74 1xa4 h VAL 46 N -2.86 0.31 -0.01 1.60 2.07 -1.90 -3.41 116.25 112.05 1xa4 h VAL 46 Ca -0.49 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1xa4 h VAL 46 Cb 1.32 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1xa4 h VAL 46 CO 0.37 0.11 -0.13 0.00 0.02 0.00 0.00 177.57 177.94 1xa4 n ALA 47 N -3.53 2.82 -2.81 1.67 0.00 -1.26 -4.84 120.51 112.56 1xa4 n ALA 47 Ca -0.15 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 1xa4 n ALA 47 Cb 0.40 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 1xa4 n ALA 47 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1xa4 s TRP 48 N -2.23 0.14 0.44 0.00 -2.14 -1.26 -5.19 118.94 108.70 1xa4 s TRP 48 Ca 0.31 -0.51 0.07 0.00 2.66 0.00 0.00 56.10 58.63 1xa4 s TRP 48 Cb 0.20 0.07 -0.03 0.00 -3.10 0.00 0.00 33.47 30.61 1xa4 s TRP 48 CO 0.42 -0.69 0.26 0.00 -2.66 0.00 0.00 176.95 174.27 1xa4 s ALA 49 N -3.89 3.87 -0.03 2.67 0.00 -1.26 -3.77 121.76 119.35 1xa4 s ALA 49 Ca 0.10 -1.82 -0.36 0.00 0.00 0.00 0.00 51.96 49.87 1xa4 s ALA 49 Cb 0.03 -0.56 -0.15 0.00 0.00 0.00 0.00 23.12 22.44 1xa4 s ALA 49 CO -0.06 -0.22 1.63 -3.47 0.00 0.00 0.00 175.76 173.63 1xa4 n ASP 50 N -1.40 2.62 0.10 0.00 -0.08 -1.26 -4.86 116.55 111.66 1xa4 n ASP 50 Ca -0.01 1.06 0.09 0.00 -1.51 0.00 0.00 54.79 54.42 1xa4 n ASP 50 Cb 0.64 -1.28 0.41 0.00 2.34 0.00 0.00 41.12 43.23 1xa4 n ASP 50 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xa4 n THR 51 N 3.88 1.17 0.16 5.18 -2.24 -1.26 -2.00 114.28 119.17 1xa4 n THR 51 Ca 0.21 0.49 0.15 0.00 -2.27 0.00 0.00 64.05 62.62 1xa4 n THR 51 Cb 0.22 -1.44 0.71 0.00 -2.10 0.00 0.00 70.33 67.73 1xa4 n THR 51 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1xa4 h ILE 52 N 0.00 0.78 0.00 2.28 6.09 -1.90 -2.76 117.51 122.00 1xa4 h ILE 52 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1xa4 h ILE 52 Cb 0.13 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.29 1xa4 h ILE 52 CO 0.00 0.00 0.00 0.03 -3.07 0.00 0.00 178.15 175.11 1xa4 h ARG 53 N 0.00 0.00 -0.04 2.19 3.08 -1.78 -2.26 114.38 115.57 1xa4 h ARG 53 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1xa4 h ARG 53 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1xa4 h ARG 53 CO -0.00 0.00 -0.19 0.28 -1.07 0.00 0.00 179.97 178.98 1xa4 h VAL 54 N 0.00 1.16 -3.19 2.04 2.07 -1.73 -3.43 116.25 113.18 1xa4 h VAL 54 Ca 0.00 -0.75 -0.53 0.00 0.82 0.00 0.00 66.70 66.24 1xa4 h VAL 54 Cb 0.26 1.35 0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1xa4 h VAL 54 CO 0.00 0.22 0.67 -1.10 0.02 0.00 0.00 177.57 177.38 1xa4 s GLN 55 N -4.60 4.37 0.36 1.57 -1.52 -0.85 -4.95 119.66 114.04 1xa4 s GLN 55 Ca -0.04 2.02 0.14 0.00 -1.95 0.00 0.00 55.36 55.53 1xa4 s GLN 55 Cb 0.15 -3.24 0.68 0.00 -0.22 0.00 0.00 33.01 30.38 1xa4 s GLN 55 CO 0.71 -0.33 1.77 -1.00 -0.25 0.00 0.00 175.29 176.19 1xa4 h PRO 56 N 6.19 0.00 0.00 2.91 0.13 -1.89 -3.41 132.00 135.93 1xa4 h PRO 56 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xa4 h PRO 56 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xa4 h PRO 56 CO 0.82 0.42 -0.60 0.09 -0.23 0.00 0.00 178.00 178.50 1xa4 n ASN 57 N -3.88 1.89 -0.28 1.44 4.13 -1.26 -4.89 115.26 112.41 1xa4 n ASN 57 Ca -0.01 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.30 1xa4 n ASN 57 Cb 0.47 0.00 0.20 0.00 -1.54 0.00 0.00 39.78 38.91 1xa4 n ASN 57 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1xa4 h TYR 58 N 0.00 0.69 -0.11 3.10 3.20 -1.95 -0.72 116.97 121.18 1xa4 h TYR 58 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.94 1xa4 h TYR 58 Cb 0.60 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1xa4 h TYR 58 CO 0.00 0.16 0.09 -1.35 -1.64 0.00 0.00 178.16 175.42 1xa4 h PRO 59 N 0.58 0.00 -0.42 1.82 0.11 -1.84 0.14 132.00 132.39 1xa4 h PRO 59 Ca 0.44 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.60 1xa4 h PRO 59 Cb 0.61 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 1xa4 h PRO 59 CO -0.36 0.00 0.28 1.96 -0.21 0.00 0.00 178.00 179.67 1xa4 h GLN 60 N 0.00 0.31 0.00 1.05 1.08 -1.46 0.30 115.11 116.38 1xa4 h GLN 60 Ca 0.05 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 1xa4 h GLN 60 Cb 0.23 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1xa4 h GLN 60 CO -0.00 0.21 -0.27 1.25 -0.95 0.00 0.00 178.83 179.07 1xa4 h LEU 61 N 0.32 0.00 0.00 1.46 5.85 -0.89 -3.31 115.31 118.74 1xa4 h LEU 61 Ca 0.18 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1xa4 h LEU 61 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1xa4 h LEU 61 CO -0.04 1.05 0.00 -1.54 -0.34 0.00 0.00 178.44 177.57 1xa4 n SER 62 N -4.59 0.00 -0.17 1.25 3.41 -0.40 -2.92 113.62 110.20 1xa4 n SER 62 Ca -0.14 0.14 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1xa4 n SER 62 Cb 0.48 -0.36 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1xa4 n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xa4 n ARG 63 N -1.36 1.02 -1.41 4.33 5.12 0.06 -4.84 116.66 119.58 1xa4 n ARG 63 Ca 0.10 -1.59 -0.32 0.00 -1.93 0.00 0.00 57.85 54.11 1xa4 n ARG 63 Cb 0.23 -0.95 0.08 0.00 -1.16 0.00 0.00 32.46 30.66 1xa4 n ARG 63 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1xa4 s ARG 64 N -1.23 2.31 -1.04 5.56 1.70 -1.15 -3.66 118.95 121.45 1xa4 s ARG 64 Ca 0.12 1.36 0.00 0.00 -0.47 0.00 0.00 55.73 56.74 1xa4 s ARG 64 Cb 0.10 -1.89 0.00 0.00 -0.57 0.00 0.00 34.95 32.59 1xa4 s ARG 64 CO 0.01 -1.62 0.00 0.09 -1.08 0.00 0.00 175.30 172.70 1xa4 n ASN 65 N -3.08 -4.95 -4.78 -2.89 4.13 -0.43 -4.86 115.26 98.40 1xa4 n ASN 65 Ca 0.10 0.24 -0.29 0.00 1.68 0.00 0.00 54.58 56.32 1xa4 n ASN 65 Cb 0.52 -3.31 -0.06 0.00 -1.54 0.00 0.00 39.78 35.39 1xa4 n ASN 65 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xa4 s LEU 66 N -2.23 3.79 -0.08 3.41 1.43 -1.24 -4.65 118.68 119.11 1xa4 s LEU 66 Ca 0.00 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1xa4 s LEU 66 Cb 0.00 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1xa4 s LEU 66 CO 0.00 0.13 0.15 -1.00 0.23 0.00 0.00 176.35 175.86 1xa4 s HIS 67 N -1.52 3.56 -0.18 0.29 3.76 -0.30 -4.46 115.29 116.43 1xa4 s HIS 67 Ca 0.30 0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 55.64 1xa4 s HIS 67 Cb -0.11 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.67 1xa4 s HIS 67 CO 0.22 0.70 -0.07 0.00 -0.85 0.00 0.00 174.74 174.74 1xa4 s ALA 68 N -1.12 2.77 -0.12 -1.40 0.00 -1.26 -0.25 121.76 120.38 1xa4 s ALA 68 Ca 0.19 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1xa4 s ALA 68 Cb -0.12 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 1xa4 s ALA 68 CO 0.09 -0.12 -0.18 -1.17 0.00 0.00 0.00 175.76 174.38 1xa4 s LEU 69 N 0.95 2.43 -0.31 0.00 2.96 -0.31 -0.87 118.68 123.54 1xa4 s LEU 69 Ca -0.01 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1xa4 s LEU 69 Cb -0.15 -1.52 0.04 0.00 0.50 0.00 0.00 46.19 45.06 1xa4 s LEU 69 CO 0.00 0.15 0.04 -0.55 -1.32 0.00 0.00 176.35 174.67 1xa4 s SER 70 N 0.42 5.01 -0.24 3.68 0.15 -1.26 -0.55 113.70 120.91 1xa4 s SER 70 Ca -0.13 -1.11 -0.16 0.00 0.70 0.00 0.00 55.95 55.25 1xa4 s SER 70 Cb -0.17 -1.79 0.07 0.00 -1.71 0.00 0.00 66.02 62.43 1xa4 s SER 70 CO 0.06 -0.26 0.59 -0.22 1.20 0.00 0.00 173.24 174.61 1xa4 s LEU 71 N 1.35 -0.54 -0.74 3.45 2.96 -0.85 -1.93 118.68 122.38 1xa4 s LEU 71 Ca -0.02 1.27 -0.26 0.00 -0.22 0.00 0.00 54.13 54.90 1xa4 s LEU 71 Cb -0.19 2.02 0.04 0.00 0.50 0.00 0.00 46.19 48.57 1xa4 s LEU 71 CO 0.00 -0.22 1.21 0.21 -1.32 0.00 0.00 176.35 176.24 1xa4 s ASN 72 N 1.19 6.19 0.00 3.68 3.84 -0.02 -4.59 114.94 125.23 1xa4 s ASN 72 Ca -0.07 -0.67 0.28 0.00 0.21 0.00 0.00 52.86 52.61 1xa4 s ASN 72 Cb -0.06 -2.52 1.28 0.00 -0.55 0.00 0.00 41.25 39.40 1xa4 s ASN 72 CO -0.12 -1.71 1.92 2.30 -2.79 0.00 0.00 177.10 176.70 1xa4 n ILE 73 N 6.28 0.11 0.73 -5.21 -5.35 -1.26 -3.17 119.36 111.49 1xa4 n ILE 73 Ca 0.03 0.03 0.08 0.00 -0.27 0.00 0.00 62.75 62.62 1xa4 n ILE 73 Cb 0.48 -0.56 -0.09 0.00 -1.74 0.00 0.00 39.64 37.73 1xa4 n ILE 73 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xa4 n PHE 74 N -1.40 0.00 -4.16 4.28 3.72 -1.26 -3.64 117.46 115.00 1xa4 n PHE 74 Ca 0.10 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.16 1xa4 n PHE 74 Cb 0.27 -0.02 -0.16 0.00 -0.94 0.00 0.00 39.48 38.64 1xa4 n PHE 74 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1xa4 s LYS 75 N -2.57 3.08 5.57 -1.08 2.20 -1.24 -4.75 119.74 120.95 1xa4 s LYS 75 Ca 0.06 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 1xa4 s LYS 75 Cb 0.12 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1xa4 s LYS 75 CO 0.67 -0.17 0.00 -0.25 -0.36 0.00 0.00 175.35 175.24 1xa4 n ASP 76 N 4.56 0.00 0.23 1.43 8.00 -1.26 -1.51 116.55 128.00 1xa4 n ASP 76 Ca -0.20 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.40 1xa4 n ASP 76 Cb 0.50 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 42.12 1xa4 n ASP 76 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1xa4 h GLU 77 N 0.00 0.00 -0.44 -1.24 3.07 -1.98 -2.27 114.58 111.72 1xa4 h GLU 77 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1xa4 h GLU 77 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1xa4 h GLU 77 CO 0.00 0.22 0.19 0.78 -1.40 0.00 0.00 179.01 178.80 1xa4 h GLY 78 N 1.72 0.70 1.17 -3.84 0.00 -1.43 -1.49 103.07 99.90 1xa4 h GLY 78 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1xa4 h GLY 78 CO 0.03 0.35 0.48 -0.09 0.00 0.00 0.00 176.54 177.30 1xa4 h ARG 79 N 0.57 1.09 -0.40 4.80 2.43 -1.07 -1.30 114.38 120.50 1xa4 h ARG 79 Ca 0.15 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1xa4 h ARG 79 Cb 0.16 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1xa4 h ARG 79 CO -0.02 0.77 0.06 1.49 -1.51 0.00 0.00 179.97 180.76 1xa4 h GLU 80 N 1.11 0.66 -0.64 0.20 4.81 -1.19 -1.30 114.58 118.23 1xa4 h GLU 80 Ca 0.29 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1xa4 h GLU 80 Cb -0.03 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1xa4 h GLU 80 CO -0.05 0.72 0.09 0.00 -0.73 0.00 0.00 179.01 179.04 1xa4 h ALA 81 N 0.92 0.95 -0.21 2.92 0.00 -1.09 -1.13 119.26 121.60 1xa4 h ALA 81 Ca 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1xa4 h ALA 81 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xa4 h ALA 81 CO 0.01 0.65 0.06 0.35 0.00 0.00 0.00 179.25 180.33 1xa4 h PHE 82 N 0.99 0.34 -0.01 0.00 3.57 -1.08 -1.00 116.94 119.76 1xa4 h PHE 82 Ca 0.20 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 1xa4 h PHE 82 Cb 0.44 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1xa4 h PHE 82 CO 0.03 0.41 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.19 1xa4 h LEU 83 N 0.17 0.01 -0.22 0.59 3.38 -1.12 -2.25 115.31 115.87 1xa4 h LEU 83 Ca 0.07 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xa4 h LEU 83 Cb 0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xa4 h LEU 83 CO -0.00 0.27 0.02 0.50 0.09 0.00 0.00 178.44 179.32 1xa4 h LYS 84 N 0.01 0.37 -1.84 1.13 1.63 -1.06 -3.16 116.57 113.65 1xa4 h LYS 84 Ca -0.00 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1xa4 h LYS 84 Cb 0.47 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1xa4 h LYS 84 CO 0.03 0.54 0.00 -0.11 -3.45 0.00 0.00 179.45 176.47 1xa4 n LEU 85 N -4.69 0.00 0.00 5.20 7.94 -0.39 -4.11 117.00 120.95 1xa4 n LEU 85 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1xa4 n LEU 85 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1xa4 n LEU 85 CO 0.37 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.03 1xa4 n GLU 87 N 1.27 0.00 -0.12 1.96 1.02 -1.20 -2.82 120.64 120.75 1xa4 n GLU 87 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1xa4 n GLU 87 Cb 0.00 -0.50 0.14 0.00 -0.02 0.00 0.00 31.44 31.07 1xa4 n GLU 87 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1xa4 n THR 88 N -0.07 1.81 -3.77 2.62 -2.24 -1.26 -4.86 114.28 106.51 1xa4 n THR 88 Ca 0.00 -2.02 -0.36 0.00 -2.27 0.00 0.00 64.05 59.40 1xa4 n THR 88 Cb 0.00 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.03 1xa4 n THR 88 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xa4 s THR 89 N -2.58 5.43 -0.07 4.28 2.01 -1.13 -4.82 115.64 118.77 1xa4 s THR 89 Ca 0.29 0.26 -0.15 0.00 0.31 0.00 0.00 61.69 62.41 1xa4 s THR 89 Cb 0.25 -3.46 -0.30 0.00 0.01 0.00 0.00 72.50 69.00 1xa4 s THR 89 CO 0.04 0.53 0.67 0.44 -0.69 0.00 0.00 174.62 175.61 1xa4 h ASP 90 N 5.74 0.51 -3.42 3.53 3.32 -1.51 -3.44 116.42 121.16 1xa4 h ASP 90 Ca -0.48 -0.90 -0.40 0.00 0.02 0.00 0.00 57.03 55.27 1xa4 h ASP 90 Cb 1.19 -0.17 -0.35 0.00 0.22 0.00 0.00 39.33 40.23 1xa4 h ASP 90 CO 0.66 1.65 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.44 1xa4 s ILE 91 N -2.51 0.42 -0.16 0.35 1.01 -1.11 -2.05 121.20 117.15 1xa4 s ILE 91 Ca -0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 1xa4 s ILE 91 Cb 0.04 -0.49 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 1xa4 s ILE 91 CO 0.82 0.21 -0.14 0.12 0.00 0.00 0.00 174.94 175.95 1xa4 s PHE 92 N 1.17 2.79 -0.14 3.97 5.36 -0.14 -1.31 117.98 129.68 1xa4 s PHE 92 Ca -0.07 -0.99 -0.01 0.00 -0.96 0.00 0.00 56.93 54.90 1xa4 s PHE 92 Cb -0.14 -1.90 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 1xa4 s PHE 92 CO -0.01 -0.45 -0.12 0.42 -1.46 0.00 0.00 175.22 173.60 1xa4 s ILE 93 N 0.80 3.10 -0.01 3.12 1.01 -0.28 -0.66 121.20 128.29 1xa4 s ILE 93 Ca -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1xa4 s ILE 93 Cb -0.15 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1xa4 s ILE 93 CO 0.00 0.51 -0.02 -1.83 0.00 0.00 0.00 174.94 173.60 1xa4 s GLU 94 N 0.50 0.22 -0.18 2.79 4.04 -0.33 -0.98 118.70 124.76 1xa4 s GLU 94 Ca -0.08 -0.07 -0.04 0.00 0.04 0.00 0.00 54.97 54.82 1xa4 s GLU 94 Cb -0.16 -0.24 -0.02 0.00 0.02 0.00 0.00 34.13 33.73 1xa4 s GLU 94 CO 0.04 0.03 -0.02 0.00 -1.84 0.00 0.00 175.26 173.46 1xa4 s ALA 95 N 0.10 2.99 0.38 -0.84 0.00 -0.67 -0.90 121.76 122.82 1xa4 s ALA 95 Ca -0.01 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 1xa4 s ALA 95 Cb -0.03 -1.65 0.06 0.00 0.00 0.00 0.00 23.12 21.50 1xa4 s ALA 95 CO -0.00 0.02 0.82 -1.54 0.00 0.00 0.00 175.76 175.06 1xa4 s SER 96 N 0.70 0.03 -0.95 0.00 1.04 -0.82 -4.60 113.70 109.10 1xa4 s SER 96 Ca -0.01 -1.16 -0.22 0.00 0.48 0.00 0.00 55.95 55.03 1xa4 s SER 96 Cb -0.14 0.83 0.07 0.00 0.10 0.00 0.00 66.02 66.88 1xa4 s SER 96 CO 0.02 -1.67 1.32 -0.54 0.98 0.00 0.00 173.24 173.35 1xa4 s LYS 97 N -2.11 3.53 3.68 4.02 1.02 -1.26 -4.31 119.74 124.30 1xa4 s LYS 97 Ca 0.17 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1xa4 s LYS 97 Cb -0.05 -5.06 0.00 0.00 -0.52 0.00 0.00 37.83 32.21 1xa4 s LYS 97 CO 0.11 -2.06 0.00 0.41 -0.92 0.00 0.00 175.35 172.89 1xa4 n GLY 98 N 6.27 0.66 2.08 -3.33 0.00 -1.23 -3.56 105.19 106.08 1xa4 n GLY 98 Ca 0.25 -0.74 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1xa4 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xa4 n PRO 99 N 0.00 2.38 -0.14 1.61 -0.04 -1.26 -4.55 135.00 133.00 1xa4 n PRO 99 Ca 0.00 -1.28 -0.02 0.00 -0.04 0.00 0.00 63.50 62.16 1xa4 n PRO 99 Cb 0.00 -2.19 0.21 0.00 -0.04 0.00 0.00 33.50 31.49 1xa4 n PRO 99 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xa4 h ALA 100 N 3.51 1.28 -0.42 0.55 0.00 -1.92 -2.05 119.26 120.20 1xa4 h ALA 100 Ca 0.35 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xa4 h ALA 100 Cb 1.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1xa4 h ALA 100 CO 0.60 0.52 0.09 0.74 0.00 0.00 0.00 179.25 181.21 1xa4 h PHE 101 N 0.82 0.72 -0.86 0.00 -1.00 -1.84 -1.21 116.94 113.57 1xa4 h PHE 101 Ca 0.19 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 1xa4 h PHE 101 Cb 0.22 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 39.53 1xa4 h PHE 101 CO 0.01 0.68 0.50 0.00 -1.61 0.00 0.00 178.31 177.90 1xa4 h ALA 102 N 0.95 1.26 -0.16 2.45 0.00 -1.43 0.16 119.26 122.48 1xa4 h ALA 102 Ca 0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1xa4 h ALA 102 Cb 0.33 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xa4 h ALA 102 CO 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 179.25 179.59 1xa4 h ARG 103 N 1.20 0.31 -0.00 0.00 3.08 -1.00 -2.77 114.38 115.20 1xa4 h ARG 103 Ca 0.31 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1xa4 h ARG 103 Cb -0.02 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1xa4 h ARG 103 CO -0.05 0.58 -0.00 0.54 -1.07 0.00 0.00 179.97 179.96 1xa4 n ARG 104 N -4.12 1.15 0.00 0.04 1.74 -0.49 -4.92 116.66 110.06 1xa4 n ARG 104 Ca -0.01 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 1xa4 n ARG 104 Cb 0.40 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1xa4 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xa4 n GLY 105 N 1.05 1.48 3.30 -0.13 0.00 -1.01 -5.00 105.19 104.88 1xa4 n GLY 105 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 1xa4 n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xa4 s ILE 106 N -2.29 5.47 0.71 -0.61 1.01 -0.01 -4.96 121.20 120.53 1xa4 s ILE 106 Ca 0.00 -2.73 -0.11 0.00 0.00 0.00 0.00 60.65 57.81 1xa4 s ILE 106 Cb 0.00 -4.37 0.03 0.00 0.01 0.00 0.00 42.46 38.13 1xa4 s ILE 106 CO 0.00 -1.04 1.09 0.42 0.00 0.00 0.00 174.94 175.40 1xa4 s THR 107 N -0.16 3.15 0.38 2.92 -4.23 -1.26 -3.11 115.64 113.32 1xa4 s THR 107 Ca 0.20 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 61.05 1xa4 s THR 107 Cb -0.11 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.64 1xa4 s THR 107 CO -0.08 -0.45 2.03 0.44 -0.54 0.00 0.00 174.62 176.01 1xa4 h ASP 108 N -0.67 0.61 -0.68 3.99 3.32 -1.96 -1.94 116.42 119.08 1xa4 h ASP 108 Ca -0.45 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 1xa4 h ASP 108 Cb 1.27 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 1xa4 h ASP 108 CO 0.64 0.44 0.13 -0.33 -1.72 0.00 0.00 179.24 178.39 1xa4 h GLU 109 N 0.72 1.12 -0.45 3.56 3.07 -1.98 0.20 114.58 120.81 1xa4 h GLU 109 Ca 0.21 -0.29 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 1xa4 h GLU 109 Cb -0.05 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 1xa4 h GLU 109 CO -0.05 1.01 0.16 0.28 -1.40 0.00 0.00 179.01 179.01 1xa4 h VAL 110 N 1.04 1.21 -0.61 3.13 2.07 -1.78 -0.95 116.25 120.37 1xa4 h VAL 110 Ca 0.21 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1xa4 h VAL 110 Cb 0.42 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1xa4 h VAL 110 CO 0.01 0.25 0.34 -0.07 0.02 0.00 0.00 177.57 178.12 1xa4 h LEU 111 N 0.59 0.75 -1.19 2.57 3.38 -0.94 -2.79 115.31 117.69 1xa4 h LEU 111 Ca 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xa4 h LEU 111 Cb 0.23 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xa4 h LEU 111 CO -0.01 0.62 -0.06 -0.50 0.09 0.00 0.00 178.44 178.58 1xa4 h TRP 112 N 0.82 0.00 -0.21 1.13 6.55 -0.68 -1.09 115.95 122.47 1xa4 h TRP 112 Ca 0.21 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.99 1xa4 h TRP 112 Cb 0.03 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.31 1xa4 h TRP 112 CO -0.01 0.06 -0.14 1.96 -1.05 0.00 0.00 178.44 179.26 1xa4 h GLN 113 N 0.00 0.34 0.02 0.49 4.20 -0.89 -2.18 115.11 117.09 1xa4 h GLN 113 Ca -0.00 -0.09 -0.26 0.00 0.06 0.00 0.00 58.65 58.36 1xa4 h GLN 113 Cb 0.64 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1xa4 h GLN 113 CO 0.01 0.49 -1.38 0.45 -0.67 0.00 0.00 178.83 177.72 1xa4 h HIS 114 N 0.32 0.08 -1.70 2.96 3.86 -1.35 -3.45 115.15 115.88 1xa4 h HIS 114 Ca 0.06 -0.06 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 1xa4 h HIS 114 Cb 0.44 -0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.62 1xa4 h HIS 114 CO 0.01 1.07 -0.55 1.21 0.86 0.00 0.00 177.93 180.54 1xa4 s ASN 115 N -6.51 0.39 0.38 2.45 2.47 -0.47 -4.28 114.94 109.37 1xa4 s ASN 115 Ca -0.03 -0.50 0.27 0.00 0.42 0.00 0.00 52.86 53.02 1xa4 s ASN 115 Cb 0.09 1.09 1.32 0.00 -1.45 0.00 0.00 41.25 42.29 1xa4 s ASN 115 CO 0.83 -0.34 1.82 1.55 -3.72 0.00 0.00 177.10 177.24 1xa4 h PRO 116 N 8.03 0.00 0.00 0.43 0.13 -1.66 -1.67 132.00 137.26 1xa4 h PRO 116 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1xa4 h PRO 116 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xa4 h PRO 116 CO 0.25 0.00 -0.33 1.63 -0.23 0.00 0.00 178.00 179.32 1xa4 n LYS 117 N -2.48 0.07 -1.70 0.86 5.02 -1.26 -0.66 118.16 118.02 1xa4 n LYS 117 Ca -0.00 0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 55.88 1xa4 n LYS 117 Cb 0.14 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1xa4 n LYS 117 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xa4 n LEU 118 N -1.67 3.63 -4.63 -0.35 7.94 -0.63 -4.00 117.00 117.31 1xa4 n LEU 118 Ca 0.06 1.09 -0.40 0.00 -1.11 0.00 0.00 56.01 55.65 1xa4 n LEU 118 Cb 0.36 -1.51 -0.08 0.00 0.53 0.00 0.00 43.42 42.73 1xa4 n LEU 118 CO 0.32 -0.06 0.22 -0.69 -1.11 0.00 0.00 177.39 176.08 1xa4 s VAL 119 N 0.80 5.09 -0.22 1.96 1.01 -0.87 -1.60 120.40 126.56 1xa4 s VAL 119 Ca 0.74 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 1xa4 s VAL 119 Cb -0.58 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 1xa4 s VAL 119 CO 0.38 0.12 -0.05 -0.63 0.00 0.00 0.00 175.10 174.92 1xa4 s ILE 120 N 2.13 3.29 -0.26 2.22 1.01 0.44 -0.97 121.20 129.06 1xa4 s ILE 120 Ca 0.21 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1xa4 s ILE 120 Cb -0.16 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1xa4 s ILE 120 CO 0.09 0.41 0.03 0.00 0.00 0.00 0.00 174.94 175.47 1xa4 s ALA 121 N 1.46 2.97 -0.31 9.38 0.00 0.16 -0.81 121.76 134.62 1xa4 s ALA 121 Ca 0.05 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 1xa4 s ALA 121 Cb -0.14 -1.97 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 1xa4 s ALA 121 CO -0.04 -0.73 0.13 -1.01 0.00 0.00 0.00 175.76 174.11 1xa4 s HIS 122 N 1.49 3.17 -0.27 0.00 3.76 0.34 -1.19 115.29 122.59 1xa4 s HIS 122 Ca 0.04 -0.71 -0.08 0.00 -0.15 0.00 0.00 55.06 54.16 1xa4 s HIS 122 Cb -0.16 -2.32 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 1xa4 s HIS 122 CO 0.00 -0.50 0.10 -1.17 -0.85 0.00 0.00 174.74 172.32 1xa4 s LEU 123 N 1.57 3.66 0.18 0.89 0.20 -0.08 -1.24 118.68 123.87 1xa4 s LEU 123 Ca 0.04 -0.32 -0.03 0.00 0.69 0.00 0.00 54.13 54.50 1xa4 s LEU 123 Cb -0.17 -1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 43.61 1xa4 s LEU 123 CO 0.05 -0.09 0.16 -0.94 -0.29 0.00 0.00 176.35 175.24 1xa4 s SER 124 N 1.61 0.16 0.15 3.68 1.04 -0.60 -1.95 113.70 117.78 1xa4 s SER 124 Ca 0.06 -1.22 -0.13 0.00 0.48 0.00 0.00 55.95 55.14 1xa4 s SER 124 Cb -0.16 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1xa4 s SER 124 CO 0.04 -0.84 1.59 1.23 0.98 0.00 0.00 173.24 176.24 1xa4 h GLY 125 N 2.65 0.92 0.00 7.32 0.00 -1.84 -3.38 103.07 108.74 1xa4 h GLY 125 Ca -0.34 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1xa4 h GLY 125 CO 0.52 0.63 0.00 0.69 0.00 0.00 0.00 176.54 178.38 1xa4 n PHE 126 N -4.33 0.00 0.00 5.60 3.72 -1.26 -2.73 117.46 118.46 1xa4 n PHE 126 Ca 0.01 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1xa4 n PHE 126 Cb 0.32 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1xa4 n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xa4 n GLY 127 N -0.10 1.17 0.11 1.37 0.00 -1.26 -4.76 105.19 101.72 1xa4 n GLY 127 Ca 0.00 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.06 1xa4 n GLY 127 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xa4 h GLN 128 N 0.00 0.00 -3.78 1.61 1.08 -1.91 -3.39 115.11 108.72 1xa4 h GLN 128 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1xa4 h GLN 128 Cb 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.31 1xa4 h GLN 128 CO 0.00 0.00 -0.24 1.52 -0.95 0.00 0.00 178.83 179.16 1xa4 s TYR 129 N -3.15 0.33 0.00 2.96 -0.85 -1.26 -4.28 117.35 111.11 1xa4 s TYR 129 Ca 0.08 -0.69 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 1xa4 s TYR 129 Cb 0.11 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.49 1xa4 s TYR 129 CO 0.65 -0.79 0.00 0.41 -1.52 0.00 0.00 175.55 174.30 1xa4 n GLY 130 N -0.27 -0.09 3.92 5.49 0.00 -1.26 -4.94 105.19 108.03 1xa4 n GLY 130 Ca -0.06 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 1xa4 n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xa4 s THR 131 N -1.37 5.10 0.46 2.61 -4.23 -1.26 -4.97 115.64 111.98 1xa4 s THR 131 Ca 0.00 -0.14 0.16 0.00 -1.18 0.00 0.00 61.69 60.53 1xa4 s THR 131 Cb 0.00 -3.74 0.21 0.00 1.34 0.00 0.00 72.50 70.31 1xa4 s THR 131 CO 0.00 -0.28 2.04 -0.33 -0.54 0.00 0.00 174.62 175.51 1xa4 h GLU 132 N 1.75 0.00 -0.57 3.99 4.39 -2.00 -1.94 114.58 120.20 1xa4 h GLU 132 Ca -0.48 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.12 1xa4 h GLU 132 Cb 1.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 1xa4 h GLU 132 CO 0.67 0.14 -0.03 1.49 -1.16 0.00 0.00 179.01 180.11 1xa4 h GLU 133 N 0.00 1.02 0.00 2.33 4.81 -2.03 -3.39 114.58 117.32 1xa4 h GLU 133 Ca -0.00 -0.33 -0.12 0.00 -0.13 0.00 0.00 59.36 58.78 1xa4 h GLU 133 Cb 0.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1xa4 h GLU 133 CO 0.02 1.02 -1.48 0.66 -0.73 0.00 0.00 179.01 178.50 1xa4 n TYR 134 N -4.17 0.00 -0.08 0.92 4.01 -1.16 -4.73 117.16 111.96 1xa4 n TYR 134 Ca 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1xa4 n TYR 134 Cb 0.36 -0.33 0.39 0.00 -0.31 0.00 0.00 39.34 39.44 1xa4 n TYR 134 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1xa4 h THR 135 N 0.00 1.09 -0.52 -0.72 2.02 -1.54 -2.57 112.91 110.66 1xa4 h THR 135 Ca -0.18 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1xa4 h THR 135 Cb 1.34 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1xa4 h THR 135 CO 0.01 0.12 0.00 0.59 0.37 0.00 0.00 175.52 176.61 1xa4 n ASN 136 N -4.47 5.38 -4.83 4.18 5.03 -1.26 -3.55 115.26 115.75 1xa4 n ASN 136 Ca 0.06 -2.94 -0.32 0.00 0.87 0.00 0.00 54.58 52.24 1xa4 n ASN 136 Cb 0.11 -0.66 -0.04 0.00 -1.02 0.00 0.00 39.78 38.17 1xa4 n ASN 136 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xa4 s LEU 137 N -2.76 3.70 0.48 3.41 1.43 -0.97 -4.83 118.68 119.15 1xa4 s LEU 137 Ca 0.52 1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 55.04 1xa4 s LEU 137 Cb 0.40 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 42.02 1xa4 s LEU 137 CO 0.15 -0.59 1.18 -2.65 0.23 0.00 0.00 176.35 174.66 1xa4 n PRO 138 N -1.35 1.56 -3.45 1.29 -0.02 -1.26 -4.59 135.00 127.18 1xa4 n PRO 138 Ca 0.07 0.57 -0.39 0.00 -2.02 0.00 0.00 63.50 61.73 1xa4 n PRO 138 Cb 0.54 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 1xa4 n PRO 138 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xa4 s ALA 139 N -1.29 3.56 0.03 3.55 0.00 -1.26 -4.80 121.76 121.54 1xa4 s ALA 139 Ca 0.66 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1xa4 s ALA 139 Cb -0.48 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1xa4 s ALA 139 CO 0.54 -0.59 -0.04 0.71 0.00 0.00 0.00 175.76 176.38 1xa4 s TYR 140 N 1.91 0.36 0.19 0.00 2.02 -1.26 -4.96 117.35 115.61 1xa4 s TYR 140 Ca 0.13 -0.52 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 1xa4 s TYR 140 Cb -0.16 -0.24 0.17 0.00 -0.40 0.00 0.00 41.96 41.33 1xa4 s TYR 140 CO 0.10 -0.16 1.63 -0.97 -1.57 0.00 0.00 175.55 174.58 1xa4 h ASN 141 N 4.62 -0.60 -0.67 2.29 -0.73 -1.94 -1.32 115.58 117.23 1xa4 h ASN 141 Ca -0.33 0.17 -0.04 0.00 1.87 0.00 0.00 56.30 57.97 1xa4 h ASN 141 Cb 1.21 0.37 -0.03 0.00 0.27 0.00 0.00 38.32 40.14 1xa4 h ASN 141 CO 0.41 -0.20 0.28 0.71 -0.37 0.00 0.00 177.43 178.25 1xa4 h THR 142 N -0.04 1.24 -0.58 -3.57 1.35 -1.97 -1.67 112.91 107.66 1xa4 h THR 142 Ca 0.25 -0.73 -0.02 0.00 -0.55 0.00 0.00 66.41 65.35 1xa4 h THR 142 Cb 0.43 0.47 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 1xa4 h THR 142 CO -0.57 0.29 0.27 0.40 -0.25 0.00 0.00 175.52 175.67 1xa4 h ILE 143 N 0.95 1.21 -0.75 6.82 2.04 -1.88 -0.76 117.51 125.14 1xa4 h ILE 143 Ca 0.23 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1xa4 h ILE 143 Cb 0.19 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1xa4 h ILE 143 CO -0.02 0.24 0.26 0.00 0.00 0.00 0.00 178.15 178.63 1xa4 h ALA 144 N 1.11 1.04 -0.48 1.87 0.00 -0.93 0.16 119.26 122.03 1xa4 h ALA 144 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1xa4 h ALA 144 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xa4 h ALA 144 CO -0.02 0.66 -0.05 1.96 0.00 0.00 0.00 179.25 181.79 1xa4 h GLN 145 N 1.10 0.88 -0.52 0.00 4.20 -1.08 -2.42 115.11 117.27 1xa4 h GLN 145 Ca 0.25 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1xa4 h GLN 145 Cb 0.27 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1xa4 h GLN 145 CO -0.01 0.95 0.24 0.00 -0.67 0.00 0.00 178.83 179.33 1xa4 h ALA 146 N 0.90 0.67 0.00 3.87 0.00 -0.73 -1.34 119.26 122.63 1xa4 h ALA 146 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xa4 h ALA 146 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xa4 h ALA 146 CO 0.03 0.24 -0.23 0.35 0.00 0.00 0.00 179.25 179.65 1xa4 h PHE 147 N 0.69 0.00 -0.02 0.00 3.57 -0.93 -3.26 116.94 116.99 1xa4 h PHE 147 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1xa4 h PHE 147 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1xa4 h PHE 147 CO -0.00 0.00 -0.19 -1.13 -2.23 0.00 0.00 178.31 174.76 1xa4 n SER 148 N -2.34 2.45 0.00 0.41 3.41 -0.92 -4.96 113.62 111.67 1xa4 n SER 148 Ca 0.04 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 1xa4 n SER 148 Cb 0.45 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1xa4 n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xa4 n GLY 149 N 1.29 0.63 0.11 5.00 0.00 -1.21 -4.39 105.19 106.61 1xa4 n GLY 149 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1xa4 n GLY 149 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xa4 h TYR 150 N 0.00 0.34 -0.39 1.61 3.20 -1.72 -3.33 116.97 116.68 1xa4 h TYR 150 Ca 0.00 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.70 1xa4 h TYR 150 Cb 0.06 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1xa4 h TYR 150 CO 0.04 0.97 0.24 1.25 -1.64 0.00 0.00 178.16 179.03 1xa4 h LEU 151 N -0.39 0.41 -2.68 2.82 6.46 -1.57 -2.46 115.31 117.90 1xa4 h LEU 151 Ca -0.04 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1xa4 h LEU 151 Cb 1.06 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1xa4 h LEU 151 CO 0.06 0.29 -0.01 -0.29 -0.62 0.00 0.00 178.44 177.88 1xa4 h ILE 152 N 0.49 0.25 0.00 4.05 6.09 -1.83 -0.91 117.51 125.65 1xa4 h ILE 152 Ca 0.15 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 63.59 1xa4 h ILE 152 Cb -0.03 1.03 0.00 0.00 0.47 0.00 0.00 36.82 38.30 1xa4 h ILE 152 CO -0.05 0.01 -0.62 1.56 -3.07 0.00 0.00 178.15 175.97 1xa4 h GLN 153 N 0.00 0.00 -6.65 2.19 4.20 -1.55 -3.46 115.11 109.83 1xa4 h GLN 153 Ca -0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1xa4 h GLN 153 Cb 0.03 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.83 1xa4 h GLN 153 CO 0.00 0.00 -0.07 -0.80 -0.67 0.00 0.00 178.83 177.29 1xa4 s ASN 154 N -5.10 6.34 0.00 1.46 0.01 -0.35 -4.76 114.94 112.53 1xa4 s ASN 154 Ca 0.04 0.70 0.00 0.00 -0.71 0.00 0.00 52.86 52.88 1xa4 s ASN 154 Cb 0.10 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.62 1xa4 s ASN 154 CO 0.73 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 1xa4 n GLY 155 N -1.68 -1.86 3.98 0.66 0.00 -1.26 -4.32 105.19 100.70 1xa4 n GLY 155 Ca -0.02 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 43.82 1xa4 n GLY 155 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xa4 s ASP 156 N -4.00 6.01 0.26 1.61 -1.08 -0.47 -4.81 116.67 114.20 1xa4 s ASP 156 Ca 0.00 -0.09 -0.10 0.00 -0.52 0.00 0.00 52.55 51.84 1xa4 s ASP 156 Cb 0.00 -1.37 0.40 0.00 -1.46 0.00 0.00 42.92 40.50 1xa4 s ASP 156 CO 0.00 -0.40 1.52 0.52 0.52 0.00 0.00 175.17 177.32 1xa4 n VAL 157 N -1.65 -0.43 -1.03 1.11 0.31 -1.26 -0.95 118.33 114.42 1xa4 n VAL 157 Ca -0.01 2.24 0.07 0.00 -0.01 0.00 0.00 64.34 66.63 1xa4 n VAL 157 Cb 0.58 -3.07 0.26 0.00 -0.91 0.00 0.00 33.84 30.70 1xa4 n VAL 157 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xa4 n ASP 158 N -5.56 3.86 -3.37 4.52 8.00 -1.26 -4.76 116.55 117.98 1xa4 n ASP 158 Ca 0.14 -3.08 -0.16 0.00 0.71 0.00 0.00 54.79 52.41 1xa4 n ASP 158 Cb 0.47 -0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 1xa4 n ASP 158 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1xa4 s GLN 159 N -2.87 0.45 1.12 -1.24 2.00 -0.13 -5.24 119.66 113.76 1xa4 s GLN 159 Ca 0.43 -0.36 -0.19 0.00 -2.00 0.00 0.00 55.36 53.24 1xa4 s GLN 159 Cb 0.35 -0.64 0.28 0.00 0.80 0.00 0.00 33.01 33.80 1xa4 s GLN 159 CO 0.09 -1.09 0.99 -0.35 -0.50 0.00 0.00 175.29 174.43 1xa4 n PRO 160 N 4.94 -2.98 -2.93 1.67 -0.04 -1.26 -1.36 135.00 133.04 1xa4 n PRO 160 Ca 0.03 -1.59 -0.30 0.00 -0.04 0.00 0.00 63.50 61.59 1xa4 n PRO 160 Cb 0.46 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1xa4 n PRO 160 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1xa4 s PRO 162 N -5.26 3.80 0.44 0.54 0.02 -1.26 -4.90 135.00 128.39 1xa4 s PRO 162 Ca 0.65 0.46 -0.24 0.00 0.02 0.00 0.00 61.00 61.89 1xa4 s PRO 162 Cb -0.06 -2.42 -0.08 0.00 0.02 0.00 0.00 34.50 31.96 1xa4 s PRO 162 CO 0.50 0.01 1.21 0.00 -0.33 0.00 0.00 177.00 178.39 1xa4 s ALA 163 N -2.29 3.06 0.06 -1.55 0.00 -1.26 -4.91 121.76 114.87 1xa4 s ALA 163 Ca 0.51 1.04 0.04 0.00 0.00 0.00 0.00 51.96 53.54 1xa4 s ALA 163 Cb -0.10 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1xa4 s ALA 163 CO 0.29 -0.73 -0.11 0.12 0.00 0.00 0.00 175.76 175.34 1xa4 s PHE 164 N -1.43 0.94 -0.28 0.00 2.19 -1.26 -4.01 117.98 114.12 1xa4 s PHE 164 Ca 0.61 -0.50 -0.20 0.00 0.33 0.00 0.00 56.93 57.18 1xa4 s PHE 164 Cb -0.32 -0.54 -0.01 0.00 -1.31 0.00 0.00 43.02 40.84 1xa4 s PHE 164 CO 0.40 -0.02 0.62 -1.25 1.83 0.00 0.00 175.22 176.80 1xa4 s PRO 165 N -1.76 4.00 -1.46 10.12 0.04 -1.26 -4.81 135.00 139.87 1xa4 s PRO 165 Ca -0.05 0.40 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 1xa4 s PRO 165 Cb -0.09 -3.69 0.05 0.00 0.04 0.00 0.00 34.50 30.81 1xa4 s PRO 165 CO 0.01 -0.49 1.07 0.66 0.04 0.00 0.00 177.00 178.29 1xa4 n TYR 166 N 5.78 -2.54 -0.35 0.56 4.01 -1.26 -4.86 117.16 118.51 1xa4 n TYR 166 Ca -0.01 0.95 0.14 0.00 -0.16 0.00 0.00 57.90 58.82 1xa4 n TYR 166 Cb 0.49 -4.42 0.33 0.00 -0.31 0.00 0.00 39.34 35.43 1xa4 n TYR 166 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1xa4 h THR 167 N -2.34 0.68 -0.11 -0.72 2.02 -1.88 -1.22 112.91 109.34 1xa4 h THR 167 Ca -0.58 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.27 1xa4 h THR 167 Cb 1.37 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1xa4 h THR 167 CO 0.63 0.13 -0.31 0.00 0.37 0.00 0.00 175.52 176.34 1xa4 h ALA 168 N 1.66 1.27 -0.71 6.16 0.00 -1.88 -1.92 119.26 123.84 1xa4 h ALA 168 Ca 0.59 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1xa4 h ALA 168 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1xa4 h ALA 168 CO -0.39 0.50 0.22 -0.44 0.00 0.00 0.00 179.25 179.13 1xa4 h ASP 169 N 0.18 1.04 -0.16 0.00 3.32 -1.56 -1.53 116.42 117.72 1xa4 h ASP 169 Ca 0.03 -0.21 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 1xa4 h ASP 169 Cb 0.65 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1xa4 h ASP 169 CO 0.05 0.98 -0.33 1.88 -1.72 0.00 0.00 179.24 180.09 1xa4 h TYR 170 N 1.06 0.64 -0.84 4.55 0.05 -1.45 -0.71 116.97 120.26 1xa4 h TYR 170 Ca 0.23 -0.24 0.04 0.00 0.05 0.00 0.00 58.73 58.81 1xa4 h TYR 170 Cb 0.31 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 1xa4 h TYR 170 CO 0.02 0.96 0.54 0.74 -1.05 0.00 0.00 178.16 179.38 1xa4 h PHE 171 N 0.14 1.00 -0.10 4.88 0.05 -1.36 -0.14 116.94 121.40 1xa4 h PHE 171 Ca 0.00 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.74 1xa4 h PHE 171 Cb 0.93 -0.33 0.00 0.00 2.00 0.00 0.00 35.95 38.56 1xa4 h PHE 171 CO 0.10 0.56 -0.26 0.77 -0.18 0.00 0.00 178.31 179.30 1xa4 h SER 172 N 1.03 0.40 -0.22 2.17 0.02 -1.18 -0.89 113.55 114.86 1xa4 h SER 172 Ca 0.35 -0.59 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1xa4 h SER 172 Cb 0.05 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1xa4 h SER 172 CO -0.13 0.92 0.07 1.23 -1.14 0.00 0.00 176.83 177.78 1xa4 h GLY 173 N -0.11 0.27 0.82 -3.77 0.00 -1.05 -2.02 103.07 97.22 1xa4 h GLY 173 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1xa4 h GLY 173 CO 0.06 0.02 0.49 -2.00 0.00 0.00 0.00 176.54 175.11 1xa4 h LEU 174 N 0.17 0.79 -0.87 3.11 5.85 -0.99 -2.04 115.31 121.33 1xa4 h LEU 174 Ca 0.10 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1xa4 h LEU 174 Cb 0.07 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1xa4 h LEU 174 CO -0.11 0.54 0.57 0.74 -0.34 0.00 0.00 178.44 179.84 1xa4 h THR 175 N 0.94 1.20 -0.72 1.05 2.02 -0.99 -1.22 112.91 115.19 1xa4 h THR 175 Ca 0.32 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1xa4 h THR 175 Cb 0.06 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1xa4 h THR 175 CO -0.13 0.21 0.37 0.00 0.37 0.00 0.00 175.52 176.34 1xa4 h ALA 176 N 1.33 0.92 -0.36 6.16 0.00 -0.86 -0.06 119.26 126.39 1xa4 h ALA 176 Ca 0.33 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xa4 h ALA 176 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1xa4 h ALA 176 CO -0.08 0.46 0.18 1.15 0.00 0.00 0.00 179.25 180.96 1xa4 h THR 177 N 1.00 0.98 -0.10 0.00 2.02 -0.84 -0.14 112.91 115.82 1xa4 h THR 177 Ca 0.25 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1xa4 h THR 177 Cb 0.08 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1xa4 h THR 177 CO -0.04 0.07 0.04 0.74 0.37 0.00 0.00 175.52 176.70 1xa4 h THR 178 N 0.37 1.15 -0.75 3.16 2.02 -0.72 -1.55 112.91 116.59 1xa4 h THR 178 Ca 0.15 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1xa4 h THR 178 Cb 0.07 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1xa4 h THR 178 CO -0.11 0.14 0.27 0.00 0.37 0.00 0.00 175.52 176.18 1xa4 h ALA 179 N 0.87 1.04 -0.32 6.16 0.00 -0.95 -0.74 119.26 125.33 1xa4 h ALA 179 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1xa4 h ALA 179 Cb 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xa4 h ALA 179 CO -0.00 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.91 1xa4 h ALA 180 N 1.18 0.43 -0.95 0.00 0.00 -0.84 -0.54 119.26 118.53 1xa4 h ALA 180 Ca 0.25 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1xa4 h ALA 180 Cb 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1xa4 h ALA 180 CO -0.01 0.17 0.63 -0.07 0.00 0.00 0.00 179.25 179.96 1xa4 h LEU 181 N 0.36 1.06 -0.25 0.00 3.38 -1.08 -1.14 115.31 117.63 1xa4 h LEU 181 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xa4 h LEU 181 Cb 0.43 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xa4 h LEU 181 CO 0.01 0.75 0.17 0.00 0.09 0.00 0.00 178.44 179.46 1xa4 h ALA 182 N 1.37 0.32 -0.40 1.53 0.00 -0.67 -1.90 119.26 119.52 1xa4 h ALA 182 Ca 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1xa4 h ALA 182 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xa4 h ALA 182 CO -0.10 -0.21 0.11 0.00 0.00 0.00 0.00 179.25 179.05 1xa4 h ALA 183 N 1.10 1.45 -0.58 0.00 0.00 -0.96 -2.19 119.26 118.08 1xa4 h ALA 183 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xa4 h ALA 183 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xa4 h ALA 183 CO -0.02 0.40 0.10 1.25 0.00 0.00 0.00 179.25 180.98 1xa4 h LEU 184 N 0.57 0.92 -0.63 0.00 5.85 -0.88 -0.94 115.31 120.20 1xa4 h LEU 184 Ca 0.13 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1xa4 h LEU 184 Cb 0.20 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1xa4 h LEU 184 CO -0.01 0.94 0.29 -0.74 -0.34 0.00 0.00 178.44 178.59 1xa4 h HIS 185 N 0.85 0.52 -0.55 1.25 2.76 -0.75 -1.59 115.15 117.65 1xa4 h HIS 185 Ca 0.18 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 1xa4 h HIS 185 Cb 0.42 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 1xa4 h HIS 185 CO 0.03 0.20 0.17 -0.22 -1.30 0.00 0.00 177.93 176.80 1xa4 h LYS 186 N 0.53 0.83 -0.46 5.26 1.63 -0.91 -2.15 116.57 121.29 1xa4 h LYS 186 Ca 0.30 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1xa4 h LYS 186 Cb 0.30 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1xa4 h LYS 186 CO -0.25 0.73 0.30 0.28 -3.45 0.00 0.00 179.45 177.06 1xa4 h VAL 187 N 0.81 1.12 -0.21 2.00 2.07 -0.56 0.06 116.25 121.54 1xa4 h VAL 187 Ca 0.18 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1xa4 h VAL 187 Cb 0.25 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1xa4 h VAL 187 CO -0.01 0.12 0.06 0.03 0.02 0.00 0.00 177.57 177.79 1xa4 h ARG 188 N 0.62 0.28 0.13 1.57 2.47 -0.70 0.32 114.38 119.08 1xa4 h ARG 188 Ca 0.17 -0.03 -0.27 0.00 -1.26 0.00 0.00 59.98 58.58 1xa4 h ARG 188 Cb -0.07 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1xa4 h ARG 188 CO -0.04 0.26 -1.24 0.93 0.56 0.00 0.00 179.97 180.45 1xa4 h GLU 189 N 0.29 0.30 0.00 0.04 4.39 -0.89 -3.41 114.58 115.30 1xa4 h GLU 189 Ca 0.07 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1xa4 h GLU 189 Cb 0.10 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1xa4 h GLU 189 CO -0.00 1.23 -0.37 0.25 -1.16 0.00 0.00 179.01 178.95 1xa4 n THR 190 N -3.56 0.00 -0.91 1.13 -2.24 -0.04 -5.03 114.28 103.62 1xa4 n THR 190 Ca -0.09 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1xa4 n THR 190 Cb 1.01 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1xa4 n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xa4 n GLY 191 N 1.38 0.50 3.60 3.38 0.00 0.11 -5.01 105.19 109.15 1xa4 n GLY 191 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1xa4 n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xa4 s LYS 192 N -0.50 3.80 0.74 1.61 2.20 -1.26 -4.39 119.74 121.93 1xa4 s LYS 192 Ca 0.00 -0.40 -0.12 0.00 -0.36 0.00 0.00 55.97 55.09 1xa4 s LYS 192 Cb 0.00 -3.09 0.18 0.00 -1.51 0.00 0.00 37.83 33.41 1xa4 s LYS 192 CO 0.00 0.31 0.66 0.41 -0.36 0.00 0.00 175.35 176.37 1xa4 n GLY 193 N 3.37 -2.64 3.31 5.54 0.00 0.17 -4.21 105.19 110.74 1xa4 n GLY 193 Ca -0.17 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1xa4 n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xa4 s GLU 194 N -4.49 0.88 -0.10 1.61 2.56 -0.63 -4.94 118.70 113.58 1xa4 s GLU 194 Ca 0.43 -0.31 0.03 0.00 0.00 0.00 0.00 54.97 55.11 1xa4 s GLU 194 Cb -0.04 0.39 0.01 0.00 2.00 0.00 0.00 34.13 36.49 1xa4 s GLU 194 CO 0.33 -0.29 -0.20 0.45 -0.56 0.00 0.00 175.26 174.99 1xa4 s SER 195 N -1.86 2.74 -0.14 -1.70 0.15 -1.26 -0.42 113.70 111.22 1xa4 s SER 195 Ca -0.07 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.11 1xa4 s SER 195 Cb -0.01 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.05 1xa4 s SER 195 CO -0.01 0.10 -0.21 -0.63 1.20 0.00 0.00 173.24 173.69 1xa4 s ILE 196 N 0.59 2.16 -0.56 6.45 1.01 0.01 -4.98 121.20 125.88 1xa4 s ILE 196 Ca -0.14 -0.95 -0.08 0.00 0.00 0.00 0.00 60.65 59.48 1xa4 s ILE 196 Cb -0.17 -1.86 0.15 0.00 0.01 0.00 0.00 42.46 40.59 1xa4 s ILE 196 CO 0.04 0.55 0.43 -0.62 0.00 0.00 0.00 174.94 175.34 1xa4 s ASP 197 N 0.75 5.72 -0.51 3.58 2.15 -1.26 -0.50 116.67 126.60 1xa4 s ASP 197 Ca -0.08 -2.29 -0.16 0.00 0.43 0.00 0.00 52.55 50.44 1xa4 s ASP 197 Cb -0.16 -1.99 0.09 0.00 -0.30 0.00 0.00 42.92 40.56 1xa4 s ASP 197 CO -0.00 -0.58 0.47 -0.63 -0.17 0.00 0.00 175.17 174.26 1xa4 s ILE 198 N 0.79 5.16 0.00 4.11 1.09 -0.37 -4.95 121.20 127.03 1xa4 s ILE 198 Ca 0.11 -1.16 0.00 0.00 -1.10 0.00 0.00 60.65 58.50 1xa4 s ILE 198 Cb -0.22 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 36.94 1xa4 s ILE 198 CO -0.03 -0.74 0.00 0.00 -0.10 0.00 0.00 174.94 174.07 1xa4 n ALA 199 N 5.39 0.00 0.00 9.38 0.00 -1.26 -1.56 120.51 132.46 1xa4 n ALA 199 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xa4 n ALA 199 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1xa4 n ALA 199 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1xa4 n TYR 201 N -0.06 0.00 -0.02 0.00 0.18 -1.10 -1.89 117.16 114.27 1xa4 n TYR 201 Ca 0.00 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.66 1xa4 n TYR 201 Cb 0.00 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 38.98 1xa4 n TYR 201 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1xa4 h GLU 202 N 0.00 0.65 0.00 -3.48 5.08 -1.94 -0.09 114.58 114.81 1xa4 h GLU 202 Ca 0.00 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1xa4 h GLU 202 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xa4 h GLU 202 CO 0.00 1.05 0.00 0.28 -1.00 0.00 0.00 179.01 179.34 1xa4 n VAL 203 N -3.96 0.00 0.00 3.13 0.31 -0.79 -2.32 118.33 114.70 1xa4 n VAL 203 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1xa4 n VAL 203 Cb 0.63 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 1xa4 n VAL 203 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xa4 n LEU 205 N -0.04 0.00 -1.60 7.52 7.94 -0.05 -4.80 117.00 125.98 1xa4 n LEU 205 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xa4 n LEU 205 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xa4 n LEU 205 CO 0.00 0.00 0.24 -1.14 -1.11 0.00 0.00 177.39 175.38 1xa4 n ARG 206 N 0.00 0.28 -0.02 1.96 3.00 -0.98 -3.63 116.66 117.27 1xa4 n ARG 206 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1xa4 n ARG 206 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.10 1xa4 n ARG 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xa4 n GLY 208 N 1.55 0.00 0.03 5.14 0.00 -1.26 -4.81 105.19 105.84 1xa4 n GLY 208 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1xa4 n GLY 208 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xa4 n GLN 209 N 0.00 0.12 -0.17 1.61 1.13 -1.24 -4.54 117.38 114.29 1xa4 n GLN 209 Ca 0.00 0.04 -0.03 0.00 -1.94 0.00 0.00 57.00 55.08 1xa4 n GLN 209 Cb 0.00 -1.58 0.04 0.00 0.11 0.00 0.00 30.24 28.81 1xa4 n GLN 209 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1xa4 h TYR 210 N 0.00 -0.28 -3.39 1.08 3.20 -1.94 -3.43 116.97 112.21 1xa4 h TYR 210 Ca 0.00 0.05 -0.71 0.00 3.14 0.00 0.00 58.73 61.21 1xa4 h TYR 210 Cb 0.60 0.20 -0.20 0.00 1.54 0.00 0.00 36.73 38.88 1xa4 h TYR 210 CO 0.00 -0.23 -0.22 -0.06 -1.64 0.00 0.00 178.16 176.01 1xa4 s PHE 211 N -6.23 3.18 0.00 -3.82 0.08 -1.26 -5.08 117.98 104.84 1xa4 s PHE 211 Ca -0.14 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.29 1xa4 s PHE 211 Cb 0.17 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 1xa4 s PHE 211 CO 0.72 -0.79 0.00 -0.25 -0.10 0.00 0.00 175.22 174.80 1xa4 n ASP 214 N 5.54 0.00 -0.11 1.36 8.00 -1.26 -4.72 116.55 125.36 1xa4 n ASP 214 Ca -0.09 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.32 1xa4 n ASP 214 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1xa4 n ASP 214 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1xa4 h TYR 215 N 0.00 0.47 0.00 1.24 3.20 -1.72 0.16 116.97 120.32 1xa4 h TYR 215 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1xa4 h TYR 215 Cb 0.00 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1xa4 h TYR 215 CO 0.00 0.34 -0.03 0.74 -1.64 0.00 0.00 178.16 177.57 1xa4 h PHE 216 N 0.48 0.00 -0.99 -3.82 0.04 -1.89 -3.18 116.94 107.58 1xa4 h PHE 216 Ca 0.13 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.35 1xa4 h PHE 216 Cb -0.00 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 37.72 1xa4 h PHE 216 CO -0.04 0.03 -0.81 0.09 -0.60 0.00 0.00 178.31 176.98 1xa4 n ASN 217 N -3.20 4.65 0.00 2.17 3.02 -1.05 -4.96 115.26 115.90 1xa4 n ASN 217 Ca -0.01 -3.65 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 1xa4 n ASN 217 Cb 0.22 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1xa4 n ASN 217 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xa4 n GLY 218 N -0.62 3.27 0.00 7.41 0.00 -1.17 -4.96 105.19 109.12 1xa4 n GLY 218 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1xa4 n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xa4 n GLY 219 N -1.61 1.29 0.00 -0.02 0.00 0.53 -5.00 105.19 100.37 1xa4 n GLY 219 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1xa4 n GLY 219 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xa4 n GLU 220 N 0.00 3.01 -4.21 1.61 -0.58 -1.26 -4.14 120.64 115.07 1xa4 n GLU 220 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1xa4 n GLU 220 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 1xa4 n GLU 220 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xa4 s PRO 223 N -1.98 0.29 0.00 0.00 0.04 -1.26 -5.05 135.00 127.04 1xa4 s PRO 223 Ca 0.02 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1xa4 s PRO 223 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1xa4 s PRO 223 CO 0.03 -2.77 0.00 0.54 0.04 0.00 0.00 177.00 174.84 1xa4 n ARG 224 N -4.16 0.00 -3.55 4.56 1.74 -1.26 -4.75 116.66 109.24 1xa4 n ARG 224 Ca 0.08 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 1xa4 n ARG 224 Cb 0.59 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.89 1xa4 n ARG 224 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xa4 s SER 226 N -1.28 1.26 -1.67 0.55 0.15 -1.21 -4.45 113.70 107.05 1xa4 s SER 226 Ca 0.00 -0.08 -0.17 0.00 0.70 0.00 0.00 55.95 56.40 1xa4 s SER 226 Cb 0.00 0.33 0.14 0.00 -1.71 0.00 0.00 66.02 64.78 1xa4 s SER 226 CO 0.00 -0.31 0.76 0.29 1.20 0.00 0.00 173.24 175.18 1xa4 n LYS 227 N 5.32 -3.23 -0.78 5.44 5.02 -1.26 -1.53 118.16 127.14 1xa4 n LYS 227 Ca -0.05 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1xa4 n LYS 227 Cb 0.50 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.46 1xa4 n LYS 227 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xa4 n GLY 228 N -1.47 0.79 3.80 0.72 0.00 -1.26 -4.70 105.19 103.07 1xa4 n GLY 228 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1xa4 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xa4 s LYS 229 N -0.22 4.32 0.33 1.61 1.02 -0.58 -1.51 119.74 124.71 1xa4 s LYS 229 Ca 0.00 0.87 -0.28 0.00 0.02 0.00 0.00 55.97 56.58 1xa4 s LYS 229 Cb 0.00 -3.24 -0.12 0.00 -0.52 0.00 0.00 37.83 33.95 1xa4 s LYS 229 CO 0.00 0.61 1.29 -3.47 -0.92 0.00 0.00 175.35 172.86 1xa4 n ASP 230 N 1.65 2.71 0.23 2.83 -0.08 -0.37 -3.33 116.55 120.19 1xa4 n ASP 230 Ca -0.09 1.20 0.10 0.00 -1.51 0.00 0.00 54.79 54.50 1xa4 n ASP 230 Cb 0.50 -1.47 0.54 0.00 2.34 0.00 0.00 41.12 43.03 1xa4 n ASP 230 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xa4 h PRO 231 N 2.62 0.00 0.00 -0.67 0.13 -1.85 -3.37 132.00 128.86 1xa4 h PRO 231 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1xa4 h PRO 231 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1xa4 h PRO 231 CO 0.63 0.21 -1.24 0.66 -0.23 0.00 0.00 178.00 178.03 1xa4 n TYR 232 N -3.51 0.00 -3.86 1.56 0.53 -1.26 -4.89 117.16 105.74 1xa4 n TYR 232 Ca -0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.51 1xa4 n TYR 232 Cb 0.37 -0.17 -0.12 0.00 -1.03 0.00 0.00 39.34 38.38 1xa4 n TYR 232 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 1xa4 s TYR 233 N -2.08 3.09 0.46 -0.72 2.02 -1.26 -0.10 117.35 118.75 1xa4 s TYR 233 Ca -0.02 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.06 1xa4 s TYR 233 Cb 0.01 -2.18 -0.08 0.00 -0.40 0.00 0.00 41.96 39.30 1xa4 s TYR 233 CO 0.14 -0.29 1.07 0.00 -1.57 0.00 0.00 175.55 174.90 1xa4 s ALA 234 N 1.35 2.94 -0.41 3.71 0.00 -0.30 -3.36 121.76 125.69 1xa4 s ALA 234 Ca 0.05 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1xa4 s ALA 234 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1xa4 s ALA 234 CO 0.03 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1xa4 n GLY 235 N 0.12 0.68 3.03 0.00 0.00 -1.26 -4.62 105.19 103.13 1xa4 n GLY 235 Ca 0.08 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 1xa4 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa4 n GLY 237 N 3.93 0.19 3.71 0.00 0.00 -1.26 -1.23 105.19 110.53 1xa4 n GLY 237 Ca -0.21 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 1xa4 n GLY 237 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xa4 s LEU 238 N 0.00 4.24 0.11 0.99 2.96 -0.57 -4.26 118.68 122.15 1xa4 s LEU 238 Ca 0.00 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1xa4 s LEU 238 Cb 0.00 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1xa4 s LEU 238 CO 0.00 -0.01 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.63 1xa4 s TYR 239 N 0.81 1.03 -0.21 5.38 2.02 -0.15 -4.50 117.35 121.74 1xa4 s TYR 239 Ca 0.23 -0.82 -0.06 0.00 -0.37 0.00 0.00 57.07 56.05 1xa4 s TYR 239 Cb -0.15 -0.56 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 1xa4 s TYR 239 CO 0.08 -0.05 0.03 0.15 -1.57 0.00 0.00 175.55 174.20 1xa4 s LYS 240 N -3.61 3.71 0.65 -0.62 1.02 -1.26 -1.49 119.74 118.14 1xa4 s LYS 240 Ca 0.12 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 55.66 1xa4 s LYS 240 Cb 0.03 -3.18 0.09 0.00 -0.52 0.00 0.00 37.83 34.26 1xa4 s LYS 240 CO -0.02 0.02 0.90 0.00 -0.92 0.00 0.00 175.35 175.33 1xa4 h ALA 242 N -0.24 2.13 -0.01 0.00 0.00 -0.77 -3.04 119.26 117.33 1xa4 h ALA 242 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xa4 h ALA 242 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xa4 h ALA 242 CO 0.44 -0.35 0.00 -0.40 0.00 0.00 0.00 179.25 178.94 1xa4 n ASP 243 N -4.48 2.25 0.00 0.00 5.75 -1.26 -5.04 116.55 113.76 1xa4 n ASP 243 Ca 0.15 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1xa4 n ASP 243 Cb 0.55 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1xa4 n ASP 243 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xa4 n GLY 244 N -1.03 -0.06 3.78 6.12 0.00 -1.15 -4.96 105.19 107.89 1xa4 n GLY 244 Ca 0.10 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 1xa4 n GLY 244 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xa4 s TYR 245 N -2.50 3.86 0.26 1.61 2.02 -1.26 -0.68 117.35 120.65 1xa4 s TYR 245 Ca 0.00 1.60 0.03 0.00 -0.37 0.00 0.00 57.07 58.33 1xa4 s TYR 245 Cb 0.00 -2.75 -0.05 0.00 -0.40 0.00 0.00 41.96 38.76 1xa4 s TYR 245 CO 0.00 0.48 0.02 0.96 -1.57 0.00 0.00 175.55 175.44 1xa4 s ILE 246 N -1.23 1.04 0.54 2.71 -4.36 -0.56 -2.11 121.20 117.23 1xa4 s ILE 246 Ca 0.37 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1xa4 s ILE 246 Cb -0.22 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.03 1xa4 s ILE 246 CO 0.25 -0.21 0.17 0.68 0.24 0.00 0.00 174.94 176.07 1xa4 s VAL 247 N -3.42 1.26 -0.29 8.37 -7.23 0.04 -0.98 120.40 118.15 1xa4 s VAL 247 Ca 0.31 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1xa4 s VAL 247 Cb 0.06 -2.05 0.20 0.00 0.56 0.00 0.00 36.38 35.15 1xa4 s VAL 247 CO 0.11 0.00 0.67 -1.61 -0.31 0.00 0.00 175.10 173.96 1xa4 s GLU 249 N -4.07 0.49 -0.98 4.82 0.41 -0.53 -1.88 118.70 116.96 1xa4 s GLU 249 Ca 0.14 0.56 -0.22 0.00 -0.41 0.00 0.00 54.97 55.04 1xa4 s GLU 249 Cb -0.01 0.27 0.06 0.00 -1.78 0.00 0.00 34.13 32.68 1xa4 s GLU 249 CO 0.09 -0.84 1.37 -1.17 -0.49 0.00 0.00 175.26 174.22 1xa4 s LEU 250 N 2.86 3.79 -0.03 1.80 2.96 -0.26 -4.12 118.68 125.68 1xa4 s LEU 250 Ca 0.14 -1.50 -0.01 0.00 -0.22 0.00 0.00 54.13 52.54 1xa4 s LEU 250 Cb -0.10 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 44.09 1xa4 s LEU 250 CO -0.24 -1.44 0.06 -0.69 -1.32 0.00 0.00 176.35 172.72 1xa4 s VAL 251 N 4.57 -0.06 0.00 1.68 1.01 -1.26 -4.62 120.40 121.72 1xa4 s VAL 251 Ca 0.42 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1xa4 s VAL 251 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.24 1xa4 s VAL 251 CO -0.08 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1xa4 n GLY 252 N 4.18 2.98 0.20 4.51 0.00 -0.31 -4.70 105.19 112.05 1xa4 n GLY 252 Ca -0.27 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 1xa4 n GLY 252 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xa4 h ILE 253 N 0.00 0.70 -0.21 -0.61 2.04 -1.82 -2.12 117.51 115.50 1xa4 h ILE 253 Ca 0.00 -0.42 -0.12 0.00 1.00 0.00 0.00 64.86 65.32 1xa4 h ILE 253 Cb 0.00 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1xa4 h ILE 253 CO 0.00 0.09 -0.38 0.74 0.00 0.00 0.00 178.15 178.59 1xa4 h THR 254 N -0.66 1.30 0.05 -0.27 2.02 -1.93 -2.35 112.91 111.07 1xa4 h THR 254 Ca -0.04 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1xa4 h THR 254 Cb 0.47 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1xa4 h THR 254 CO 0.07 0.47 -0.06 1.56 0.37 0.00 0.00 175.52 177.93 1xa4 h GLN 255 N 0.40 -0.13 -0.17 6.66 7.50 -1.78 -1.32 115.11 126.27 1xa4 h GLN 255 Ca 0.04 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.19 1xa4 h GLN 255 Cb 0.85 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.40 1xa4 h GLN 255 CO 0.07 -0.09 0.07 0.82 -1.50 0.00 0.00 178.83 178.20 1xa4 h ILE 256 N -0.13 1.15 -0.20 2.54 2.04 -1.28 -1.15 117.51 120.48 1xa4 h ILE 256 Ca 0.01 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.47 1xa4 h ILE 256 Cb 0.14 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 1xa4 h ILE 256 CO -0.03 0.14 -0.22 -0.33 0.00 0.00 0.00 178.15 177.72 1xa4 h GLU 257 N 0.12 -0.23 -0.21 2.37 5.08 -1.34 -0.36 114.58 120.00 1xa4 h GLU 257 Ca 0.06 0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 1xa4 h GLU 257 Cb 0.16 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xa4 h GLU 257 CO -0.01 -0.15 -0.57 0.93 -1.00 0.00 0.00 179.01 178.21 1xa4 h GLU 258 N -0.24 0.67 -0.25 2.33 4.39 -1.17 -2.09 114.58 118.23 1xa4 h GLU 258 Ca 0.12 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1xa4 h GLU 258 Cb 0.42 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1xa4 h GLU 258 CO -0.34 1.06 0.07 0.00 -1.16 0.00 0.00 179.01 178.64 1xa4 h PHE 260 N 0.24 0.77 -0.39 0.00 -1.00 -0.92 -1.01 116.94 114.63 1xa4 h PHE 260 Ca 0.08 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.90 1xa4 h PHE 260 Cb 0.25 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.56 1xa4 h PHE 260 CO 0.01 0.30 0.25 0.87 -1.61 0.00 0.00 178.31 178.13 1xa4 h LYS 261 N 0.72 0.50 -0.78 1.51 1.57 -1.20 0.91 116.57 119.79 1xa4 h LYS 261 Ca 0.38 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1xa4 h LYS 261 Cb 0.37 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1xa4 h LYS 261 CO -0.26 0.33 0.39 -0.44 -0.57 0.00 0.00 179.45 178.90 1xa4 h ASP 262 N 0.51 1.01 0.11 0.86 3.32 -0.87 -3.16 116.42 118.20 1xa4 h ASP 262 Ca 0.14 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xa4 h ASP 262 Cb -0.05 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1xa4 h ASP 262 CO -0.04 0.84 -0.24 2.30 -1.72 0.00 0.00 179.24 180.38 1xa4 n ILE 263 N -4.32 0.00 0.00 0.35 -5.35 -0.45 -4.96 119.36 104.64 1xa4 n ILE 263 Ca 0.08 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1xa4 n ILE 263 Cb 0.13 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 1xa4 n ILE 263 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xa4 n GLY 264 N 1.33 1.09 0.58 3.28 0.00 -0.58 -4.83 105.19 106.05 1xa4 n GLY 264 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1xa4 n GLY 264 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xa4 n LEU 265 N 0.00 3.03 -0.10 0.99 4.77 0.21 -4.73 117.00 121.18 1xa4 n LEU 265 Ca 0.00 -3.49 0.14 0.00 -0.03 0.00 0.00 56.01 52.63 1xa4 n LEU 265 Cb 0.00 -0.52 0.53 0.00 -2.33 0.00 0.00 43.42 41.10 1xa4 n LEU 265 CO 0.00 1.05 1.19 0.00 -1.33 0.00 0.00 177.39 178.30 1xa4 h ALA 266 N 0.78 2.12 0.00 -1.18 0.00 -1.84 -0.90 119.26 118.23 1xa4 h ALA 266 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xa4 h ALA 266 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xa4 h ALA 266 CO 0.11 -0.28 0.00 -2.39 0.00 0.00 0.00 179.25 176.69 1xa4 n HIS 267 N -4.46 0.59 0.57 0.00 1.44 -1.26 -2.15 115.22 109.94 1xa4 n HIS 267 Ca 0.11 0.24 0.13 0.00 -2.01 0.00 0.00 57.72 56.19 1xa4 n HIS 267 Cb 0.46 -0.89 0.40 0.00 0.12 0.00 0.00 29.99 30.08 1xa4 n HIS 267 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1xa4 h LEU 268 N 0.00 0.00 -9.88 2.39 3.38 -1.54 -3.48 115.31 106.19 1xa4 h LEU 268 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1xa4 h LEU 268 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xa4 h LEU 268 CO 0.00 0.00 0.37 -0.76 0.09 0.00 0.00 178.44 178.14 1xa4 s LEU 269 N -4.69 4.35 -0.92 1.67 1.43 -0.92 -3.68 118.68 115.93 1xa4 s LEU 269 Ca 0.10 1.94 -0.02 0.00 -1.03 0.00 0.00 54.13 55.12 1xa4 s LEU 269 Cb 0.11 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1xa4 s LEU 269 CO 0.59 -0.14 0.29 0.61 0.23 0.00 0.00 176.35 177.93 1xa4 n GLY 270 N 0.69 -0.03 3.70 -3.19 0.00 -0.79 -4.95 105.19 100.61 1xa4 n GLY 270 Ca 0.02 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 1xa4 n GLY 270 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xa4 s THR 271 N -2.85 2.42 0.53 2.61 -4.23 -0.90 -4.74 115.64 108.48 1xa4 s THR 271 Ca 0.14 -1.80 0.22 0.00 -1.18 0.00 0.00 61.69 59.08 1xa4 s THR 271 Cb -0.06 -2.95 0.35 0.00 1.34 0.00 0.00 72.50 71.18 1xa4 s THR 271 CO 0.18 -0.07 2.05 -0.65 -0.54 0.00 0.00 174.62 175.59 1xa4 h PRO 272 N 1.57 0.00 0.12 3.99 0.11 -1.96 -1.34 132.00 134.49 1xa4 h PRO 272 Ca -0.43 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.38 1xa4 h PRO 272 Cb 1.25 -0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.39 1xa4 h PRO 272 CO 0.70 0.00 -1.25 0.93 -0.21 0.00 0.00 178.00 178.17 1xa4 h GLU 273 N 0.00 0.63 -2.84 1.05 3.07 -1.96 -3.38 114.58 111.15 1xa4 h GLU 273 Ca 0.16 -0.83 -0.61 0.00 -0.50 0.00 0.00 59.36 57.58 1xa4 h GLU 273 Cb 0.65 0.27 -0.40 0.00 -0.84 0.00 0.00 28.75 28.44 1xa4 h GLU 273 CO -0.00 1.38 -0.74 0.42 -1.40 0.00 0.00 179.01 178.67 1xa4 s ILE 274 N -2.99 1.78 0.62 3.13 -1.09 -1.03 -4.91 121.20 116.70 1xa4 s ILE 274 Ca -0.09 -3.40 -0.18 0.00 -2.23 0.00 0.00 60.65 54.74 1xa4 s ILE 274 Cb 0.06 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.71 1xa4 s ILE 274 CO 0.93 -1.05 1.24 -2.84 -1.23 0.00 0.00 174.94 171.99 1xa4 s PRO 275 N -0.59 2.80 0.35 2.79 0.02 -0.53 -1.89 135.00 137.94 1xa4 s PRO 275 Ca 0.26 1.90 -0.27 0.00 0.02 0.00 0.00 61.00 62.92 1xa4 s PRO 275 Cb -0.06 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.44 1xa4 s PRO 275 CO -0.14 -1.36 1.06 -1.91 -0.33 0.00 0.00 177.00 174.32 1xa4 n GLU 276 N -1.74 1.50 -0.80 5.54 0.00 -1.26 -1.40 120.64 122.48 1xa4 n GLU 276 Ca 0.14 0.53 0.00 0.00 0.00 0.00 0.00 57.16 57.83 1xa4 n GLU 276 Cb 0.49 -2.00 0.00 0.00 0.00 0.00 0.00 31.44 29.93 1xa4 n GLU 276 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xa4 n GLY 277 N 1.12 0.75 3.71 8.31 0.00 -1.26 -5.01 105.19 112.82 1xa4 n GLY 277 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1xa4 n GLY 277 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xa4 n THR 278 N -2.39 0.01 0.03 2.61 -1.04 -0.49 -4.84 114.28 108.17 1xa4 n THR 278 Ca 0.00 -0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 1xa4 n THR 278 Cb 0.00 -1.94 -0.09 0.00 -1.82 0.00 0.00 70.33 66.48 1xa4 n THR 278 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xa4 n GLN 279 N 3.96 0.56 -3.74 -2.82 6.02 -1.26 -3.97 117.38 116.13 1xa4 n GLN 279 Ca 0.16 -0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 56.93 1xa4 n GLN 279 Cb 0.34 -1.27 -0.11 0.00 1.02 0.00 0.00 30.24 30.22 1xa4 n GLN 279 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1xa4 s LEU 280 N -3.76 0.45 -0.37 1.08 2.96 -1.26 -1.16 118.68 116.61 1xa4 s LEU 280 Ca -0.04 0.72 -0.17 0.00 -0.22 0.00 0.00 54.13 54.43 1xa4 s LEU 280 Cb 0.08 1.16 0.00 0.00 0.50 0.00 0.00 46.19 47.93 1xa4 s LEU 280 CO 0.51 -0.14 0.43 -0.63 -1.32 0.00 0.00 176.35 175.19 1xa4 s ILE 281 N 0.63 5.09 -0.46 6.68 -1.09 -1.26 -5.04 121.20 125.75 1xa4 s ILE 281 Ca -0.04 -0.02 -0.23 0.00 -2.23 0.00 0.00 60.65 58.14 1xa4 s ILE 281 Cb -0.05 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.92 1xa4 s ILE 281 CO -0.04 -0.25 0.77 -1.00 -1.23 0.00 0.00 174.94 173.19 1xa4 s HIS 282 N 2.17 2.98 0.21 3.97 3.76 -1.26 -1.15 115.29 125.97 1xa4 s HIS 282 Ca 0.14 0.07 0.28 0.00 -0.15 0.00 0.00 55.06 55.39 1xa4 s HIS 282 Cb -0.16 -3.66 1.18 0.00 1.11 0.00 0.00 32.58 31.05 1xa4 s HIS 282 CO 0.13 -1.02 1.93 -0.09 -0.85 0.00 0.00 174.74 174.85 1xa4 h ARG 283 N 9.01 0.00 0.05 1.40 2.43 -0.84 -0.21 114.38 126.23 1xa4 h ARG 283 Ca -0.25 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.54 1xa4 h ARG 283 Cb 1.09 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 1xa4 h ARG 283 CO 0.97 0.15 -2.26 -0.89 -1.51 0.00 0.00 179.97 176.42 1xa4 n ILE 284 N -3.37 1.62 0.09 1.20 5.41 -1.26 -4.19 119.36 118.86 1xa4 n ILE 284 Ca -0.00 -0.62 -0.03 0.00 1.00 0.00 0.00 62.75 63.10 1xa4 n ILE 284 Cb 0.35 -1.53 0.19 0.00 -0.71 0.00 0.00 39.64 37.94 1xa4 n ILE 284 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1xa4 h GLU 285 N 0.03 0.24 -6.06 0.38 5.08 -1.90 -3.43 114.58 108.91 1xa4 h GLU 285 Ca -0.51 -0.13 -0.57 0.00 -1.00 0.00 0.00 59.36 57.15 1xa4 h GLU 285 Cb 1.97 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.16 1xa4 h GLU 285 CO -0.01 0.66 0.48 0.00 -1.00 0.00 0.00 179.01 179.14 1xa4 h PRO 287 N 7.25 0.00 -0.47 0.00 0.13 -1.88 -2.83 132.00 134.20 1xa4 h PRO 287 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1xa4 h PRO 287 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xa4 h PRO 287 CO 0.85 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.28 1xa4 n TYR 288 N -3.07 1.38 0.14 1.56 4.01 -1.26 -4.69 117.16 115.24 1xa4 n TYR 288 Ca -0.03 -0.72 -0.14 0.00 -0.16 0.00 0.00 57.90 56.86 1xa4 n TYR 288 Cb 0.09 -0.32 -0.07 0.00 -0.31 0.00 0.00 39.34 38.73 1xa4 n TYR 288 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1xa4 h GLY 289 N 3.13 -0.68 1.35 2.72 0.00 -1.66 -0.75 103.07 107.18 1xa4 h GLY 289 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.76 1xa4 h GLY 289 CO 0.28 -0.26 0.35 -2.55 0.00 0.00 0.00 176.54 174.36 1xa4 h PRO 290 N -0.60 0.55 -0.54 4.80 0.11 -1.83 -2.30 132.00 132.18 1xa4 h PRO 290 Ca 0.01 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1xa4 h PRO 290 Cb 0.60 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1xa4 h PRO 290 CO -0.15 0.36 0.07 1.25 -0.21 0.00 0.00 178.00 179.32 1xa4 h LEU 291 N 0.56 0.87 -0.82 2.35 5.85 -1.73 -2.09 115.31 120.31 1xa4 h LEU 291 Ca 0.21 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xa4 h LEU 291 Cb 0.15 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1xa4 h LEU 291 CO -0.06 0.92 0.53 0.58 -0.34 0.00 0.00 178.44 180.08 1xa4 h VAL 292 N 0.79 1.16 -0.38 1.05 2.07 -0.63 -1.51 116.25 118.80 1xa4 h VAL 292 Ca 0.16 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 1xa4 h VAL 292 Cb 0.43 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1xa4 h VAL 292 CO 0.01 0.19 -0.27 -0.33 0.02 0.00 0.00 177.57 177.20 1xa4 h GLU 293 N 1.06 0.80 -0.54 1.57 4.39 -1.20 -0.17 114.58 120.50 1xa4 h GLU 293 Ca 0.31 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xa4 h GLU 293 Cb -0.05 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1xa4 h GLU 293 CO -0.09 0.98 0.34 1.49 -1.16 0.00 0.00 179.01 180.56 1xa4 h GLU 294 N 0.69 0.72 0.06 2.33 4.81 -1.02 -0.58 114.58 121.58 1xa4 h GLU 294 Ca 0.08 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 58.99 1xa4 h GLU 294 Cb 0.80 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 30.04 1xa4 h GLU 294 CO 0.07 0.50 -1.11 0.87 -0.73 0.00 0.00 179.01 178.61 1xa4 h LYS 295 N 0.72 0.53 0.12 1.92 1.79 -1.04 -1.82 116.57 118.80 1xa4 h LYS 295 Ca 0.19 -0.65 -0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1xa4 h LYS 295 Cb -0.04 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1xa4 h LYS 295 CO -0.04 1.26 -0.08 1.25 -1.08 0.00 0.00 179.45 180.76 1xa4 h LEU 296 N 0.27 -0.21 -0.59 2.94 5.85 -1.02 -1.93 115.31 120.60 1xa4 h LEU 296 Ca -0.14 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1xa4 h LEU 296 Cb 1.77 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.81 1xa4 h LEU 296 CO 0.20 -0.14 0.27 0.44 -0.34 0.00 0.00 178.44 178.88 1xa4 h ASP 297 N -0.21 0.34 -0.48 1.25 3.32 -1.05 -0.86 116.42 118.73 1xa4 h ASP 297 Ca -0.01 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1xa4 h ASP 297 Cb 0.18 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1xa4 h ASP 297 CO 0.00 0.22 -0.06 0.00 -1.72 0.00 0.00 179.24 177.69 1xa4 h ALA 298 N 1.36 0.66 0.02 3.45 0.00 -1.27 -1.25 119.26 122.23 1xa4 h ALA 298 Ca 0.28 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xa4 h ALA 298 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xa4 h ALA 298 CO -0.24 0.51 -0.01 2.35 0.00 0.00 0.00 179.25 181.87 1xa4 h TRP 299 N 0.74 -0.02 -0.80 0.00 7.01 -1.07 -3.15 115.95 118.65 1xa4 h TRP 299 Ca 0.13 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.22 1xa4 h TRP 299 Cb 0.59 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.60 1xa4 h TRP 299 CO 0.04 0.43 0.52 -0.07 -2.79 0.00 0.00 178.44 176.58 1xa4 h LEU 300 N -0.49 0.69 -2.27 0.65 3.38 -1.15 -2.49 115.31 113.64 1xa4 h LEU 300 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xa4 h LEU 300 Cb 0.47 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xa4 h LEU 300 CO 0.00 0.42 -0.03 0.00 0.09 0.00 0.00 178.44 178.93 1xa4 h ALA 301 N 1.59 1.57 -0.03 1.53 0.00 -1.18 -2.39 119.26 120.34 1xa4 h ALA 301 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xa4 h ALA 301 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xa4 h ALA 301 CO -0.14 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.40 1xa4 n THR 302 N -3.95 0.01 -4.40 0.00 -2.24 -0.94 -3.59 114.28 99.17 1xa4 n THR 302 Ca -0.03 -0.42 -0.27 0.00 -2.27 0.00 0.00 64.05 61.07 1xa4 n THR 302 Cb 0.12 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.36 1xa4 n THR 302 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xa4 s HIS 303 N -1.99 2.24 0.66 4.78 4.02 -0.91 -4.93 115.29 119.16 1xa4 s HIS 303 Ca 0.32 -0.37 -0.07 0.00 1.02 0.00 0.00 55.06 55.95 1xa4 s HIS 303 Cb 0.20 -1.13 0.03 0.00 -1.02 0.00 0.00 32.58 30.67 1xa4 s HIS 303 CO 0.31 0.45 0.98 0.95 1.02 0.00 0.00 174.74 178.45 1xa4 s THR 304 N -1.59 3.08 0.16 1.30 -4.23 -1.26 -0.50 115.64 112.60 1xa4 s THR 304 Ca 0.19 -0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.53 1xa4 s THR 304 Cb -0.08 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.52 1xa4 s THR 304 CO 0.09 -0.31 1.79 0.40 -0.54 0.00 0.00 174.62 176.05 1xa4 h ILE 305 N -0.44 1.01 -0.59 2.99 2.04 -1.93 -1.05 117.51 119.54 1xa4 h ILE 305 Ca -0.45 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1xa4 h ILE 305 Cb 1.28 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 1xa4 h ILE 305 CO 0.61 0.09 0.39 0.00 0.00 0.00 0.00 178.15 179.24 1xa4 h ALA 306 N 1.21 0.75 -0.80 1.87 0.00 -1.99 -0.06 119.26 120.22 1xa4 h ALA 306 Ca 0.18 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xa4 h ALA 306 Cb 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1xa4 h ALA 306 CO -0.10 0.18 0.52 0.93 0.00 0.00 0.00 179.25 180.78 1xa4 h GLU 307 N 0.80 1.02 -0.23 0.00 5.08 -1.82 -1.63 114.58 117.80 1xa4 h GLU 307 Ca 0.22 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 1xa4 h GLU 307 Cb -0.09 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.93 1xa4 h GLU 307 CO -0.05 0.67 -0.54 0.28 -1.00 0.00 0.00 179.01 178.38 1xa4 h VAL 308 N 1.05 1.30 -0.76 3.13 2.07 -0.72 -2.46 116.25 119.85 1xa4 h VAL 308 Ca 0.31 -1.74 0.01 0.00 0.82 0.00 0.00 66.70 66.10 1xa4 h VAL 308 Cb -0.06 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1xa4 h VAL 308 CO -0.09 0.56 0.50 0.11 0.02 0.00 0.00 177.57 178.67 1xa4 h LYS 309 N 0.50 0.99 -0.31 1.57 1.57 -0.84 -0.57 116.57 119.48 1xa4 h LYS 309 Ca -0.00 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1xa4 h LYS 309 Cb 1.15 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1xa4 h LYS 309 CO 0.12 0.65 0.20 1.49 -0.57 0.00 0.00 179.45 181.34 1xa4 h GLU 310 N 1.02 0.39 -0.43 3.15 4.81 -1.20 -0.09 114.58 122.24 1xa4 h GLU 310 Ca 0.28 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1xa4 h GLU 310 Cb -0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1xa4 h GLU 310 CO -0.07 0.26 0.02 -0.09 -0.73 0.00 0.00 179.01 178.40 1xa4 h ARG 311 N 0.41 0.74 0.00 1.92 9.65 -1.11 -2.27 114.38 123.72 1xa4 h ARG 311 Ca 0.12 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 58.70 1xa4 h ARG 311 Cb -0.04 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1xa4 h ARG 311 CO -0.03 0.81 -0.34 0.74 2.80 0.00 0.00 179.97 183.94 1xa4 h PHE 312 N 0.59 0.00 0.02 2.20 0.04 -0.98 -1.13 116.94 117.67 1xa4 h PHE 312 Ca 0.12 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1xa4 h PHE 312 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1xa4 h PHE 312 CO 0.03 0.34 -0.01 0.00 -0.60 0.00 0.00 178.31 178.07 1xa4 h ALA 313 N 1.66 -0.02 -0.64 2.45 0.00 -0.78 0.16 119.26 122.09 1xa4 h ALA 313 Ca -0.00 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1xa4 h ALA 313 Cb 0.87 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.55 1xa4 h ALA 313 CO 0.04 -0.43 -0.18 0.93 0.00 0.00 0.00 179.25 179.61 1xa4 h GLU 314 N -0.19 -0.02 -0.01 0.00 5.08 -0.89 -2.39 114.58 116.17 1xa4 h GLU 314 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xa4 h GLU 314 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xa4 h GLU 314 CO 0.00 -0.01 -0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1xa4 n LEU 315 N -5.44 0.90 -3.53 1.33 4.77 -0.48 -4.94 117.00 109.62 1xa4 n LEU 315 Ca 0.08 -0.30 -0.26 0.00 -0.03 0.00 0.00 56.01 55.50 1xa4 n LEU 315 Cb 0.34 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1xa4 n LEU 315 CO 0.04 0.15 0.10 -3.20 -1.33 0.00 0.00 177.39 173.15 1xa4 n ASN 316 N -0.30 -5.46 -4.59 -1.43 5.15 -0.12 -4.54 115.26 103.97 1xa4 n ASN 316 Ca 0.21 -0.54 -0.40 0.00 -0.60 0.00 0.00 54.58 53.25 1xa4 n ASN 316 Cb 0.26 -4.36 -0.08 0.00 -0.53 0.00 0.00 39.78 35.06 1xa4 n ASN 316 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xa4 s ILE 317 N -3.22 5.11 0.10 -1.44 1.01 0.38 -4.97 121.20 118.16 1xa4 s ILE 317 Ca 0.52 0.57 -0.32 0.00 0.00 0.00 0.00 60.65 61.42 1xa4 s ILE 317 Cb -0.25 -3.80 -0.11 0.00 0.01 0.00 0.00 42.46 38.31 1xa4 s ILE 317 CO 0.64 0.04 1.81 0.00 0.00 0.00 0.00 174.94 177.43 1xa4 n ALA 318 N 5.48 1.88 -3.27 9.38 0.00 -1.26 -4.51 120.51 128.22 1xa4 n ALA 318 Ca -0.06 0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 1xa4 n ALA 318 Cb 0.50 -2.55 -0.05 0.00 0.00 0.00 0.00 19.45 17.35 1xa4 n ALA 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xa4 s ALA 320 N -3.99 -1.84 0.42 0.00 0.00 -0.79 -4.99 121.76 110.57 1xa4 s ALA 320 Ca 0.20 1.48 -0.26 0.00 0.00 0.00 0.00 51.96 53.38 1xa4 s ALA 320 Cb -0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 1xa4 s ALA 320 CO 0.08 -0.34 1.34 0.21 0.00 0.00 0.00 175.76 177.05 1xa4 s LYS 321 N -1.00 3.87 -0.58 0.00 2.20 -1.26 -0.78 119.74 122.19 1xa4 s LYS 321 Ca -0.07 2.24 -0.28 0.00 -0.36 0.00 0.00 55.97 57.50 1xa4 s LYS 321 Cb -0.01 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.61 1xa4 s LYS 321 CO 0.06 -0.60 1.37 0.08 -0.36 0.00 0.00 175.35 175.90 1xa4 s VAL 322 N -1.25 3.81 0.14 4.02 1.01 -0.90 -4.83 120.40 122.41 1xa4 s VAL 322 Ca 0.58 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1xa4 s VAL 322 Cb -0.40 -4.52 -0.07 0.00 0.00 0.00 0.00 36.38 31.39 1xa4 s VAL 322 CO 0.51 -1.26 0.94 -0.76 0.00 0.00 0.00 175.10 174.53 1xa4 s LEU 323 N 5.91 4.53 0.54 3.92 1.43 -1.26 -4.90 118.68 128.85 1xa4 s LEU 323 Ca 0.49 1.80 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 1xa4 s LEU 323 Cb -0.10 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.53 1xa4 s LEU 323 CO 0.24 -0.00 0.88 0.42 0.23 0.00 0.00 176.35 178.12 1xa4 s THR 324 N -0.30 4.70 0.31 5.49 -4.23 -1.26 -5.01 115.64 115.35 1xa4 s THR 324 Ca 0.45 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 1xa4 s THR 324 Cb -0.24 -3.82 0.28 0.00 1.34 0.00 0.00 72.50 70.06 1xa4 s THR 324 CO 0.30 -0.91 1.94 0.58 -0.54 0.00 0.00 174.62 175.98 1xa4 h VAL 325 N -0.01 1.11 0.00 2.29 2.07 -2.04 -1.38 116.25 118.30 1xa4 h VAL 325 Ca -0.46 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1xa4 h VAL 325 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1xa4 h VAL 325 CO 0.62 0.19 0.00 -0.65 0.02 0.00 0.00 177.57 177.74 1xa4 h PRO 326 N 1.02 0.00 -0.00 1.57 0.11 -2.04 -2.93 132.00 129.73 1xa4 h PRO 326 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1xa4 h PRO 326 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1xa4 h PRO 326 CO -0.11 0.00 -0.40 0.39 -0.21 0.00 0.00 178.00 177.67 1xa4 n GLU 327 N -2.34 0.23 -0.04 1.05 1.02 -0.52 -4.58 120.64 115.47 1xa4 n GLU 327 Ca -0.01 -0.13 -0.14 0.00 -0.02 0.00 0.00 57.16 56.86 1xa4 n GLU 327 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1xa4 n GLU 327 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1xa4 h LEU 328 N 0.32 0.05 -1.66 -4.62 3.38 -1.62 -3.21 115.31 107.94 1xa4 h LEU 328 Ca 0.00 -0.75 0.03 0.00 0.09 0.00 0.00 57.88 57.25 1xa4 h LEU 328 Cb 0.50 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1xa4 h LEU 328 CO 0.00 0.79 0.28 -0.33 0.09 0.00 0.00 178.44 179.27 1xa4 h GLU 329 N -0.69 0.43 -0.22 1.13 5.08 -1.81 -1.60 114.58 116.90 1xa4 h GLU 329 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xa4 h GLU 329 Cb 0.80 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1xa4 h GLU 329 CO 0.01 0.28 0.00 -1.13 -1.00 0.00 0.00 179.01 177.17 1xa4 n SER 330 N -4.48 2.72 -4.73 1.42 3.41 -1.26 -4.50 113.62 106.21 1xa4 n SER 330 Ca 0.04 -1.88 -0.42 0.00 -0.26 0.00 0.00 58.87 56.36 1xa4 n SER 330 Cb 0.16 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1xa4 n SER 330 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xa4 s ASN 331 N -1.66 6.87 0.26 4.04 3.84 -0.60 -4.89 114.94 122.80 1xa4 s ASN 331 Ca 0.35 2.39 -0.01 0.00 0.21 0.00 0.00 52.86 55.80 1xa4 s ASN 331 Cb 0.21 -2.61 0.52 0.00 -0.55 0.00 0.00 41.25 38.82 1xa4 s ASN 331 CO 0.30 -0.56 1.75 -0.65 -2.79 0.00 0.00 177.10 175.15 1xa4 h PRO 332 N 5.69 0.56 -0.47 0.43 0.11 -1.92 -1.15 132.00 135.24 1xa4 h PRO 332 Ca -0.44 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1xa4 h PRO 332 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1xa4 h PRO 332 CO 0.79 0.37 -0.19 0.37 -0.21 0.00 0.00 178.00 179.13 1xa4 h GLN 333 N 0.58 0.94 -0.39 1.05 5.75 -1.95 -0.47 115.11 120.62 1xa4 h GLN 333 Ca 0.46 -0.38 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1xa4 h GLN 333 Cb 0.66 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 1xa4 h GLN 333 CO -0.38 1.05 0.22 1.88 -2.65 0.00 0.00 178.83 178.95 1xa4 h TYR 334 N 0.82 0.53 0.12 3.99 0.05 -1.70 -1.94 116.97 118.84 1xa4 h TYR 334 Ca 0.11 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 1xa4 h TYR 334 Cb 0.75 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1xa4 h TYR 334 CO 0.05 0.40 -0.06 0.28 -1.05 0.00 0.00 178.16 177.78 1xa4 h VAL 335 N 0.51 0.94 -0.95 -2.88 2.07 -1.04 -0.73 116.25 114.16 1xa4 h VAL 335 Ca 0.14 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1xa4 h VAL 335 Cb 0.04 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1xa4 h VAL 335 CO -0.02 0.05 0.62 0.00 0.02 0.00 0.00 177.57 178.23 1xa4 h ALA 336 N 0.63 1.48 -0.10 1.67 0.00 -1.01 -2.37 119.26 119.56 1xa4 h ALA 336 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xa4 h ALA 336 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xa4 h ALA 336 CO 0.03 0.36 0.00 0.54 0.00 0.00 0.00 179.25 180.18 1xa4 n ARG 337 N -4.51 2.07 -3.95 0.00 1.74 -0.74 -4.95 116.66 106.34 1xa4 n ARG 337 Ca 0.15 -1.58 -0.27 0.00 -0.77 0.00 0.00 57.85 55.38 1xa4 n ARG 337 Cb 0.21 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 1xa4 n ARG 337 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xa4 n GLU 338 N 0.88 -3.87 0.18 5.56 1.02 -0.38 -4.86 120.64 119.17 1xa4 n GLU 338 Ca 0.17 0.46 0.04 0.00 -0.02 0.00 0.00 57.16 57.81 1xa4 n GLU 338 Cb 0.49 -4.87 0.33 0.00 -0.02 0.00 0.00 31.44 27.37 1xa4 n GLU 338 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1xa4 h SER 339 N -1.82 0.00 -3.30 1.62 0.02 -1.57 -3.40 113.55 105.10 1xa4 h SER 339 Ca -0.61 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.67 1xa4 h SER 339 Cb 1.37 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.60 1xa4 h SER 339 CO 0.64 0.42 -0.83 -0.63 -1.14 0.00 0.00 176.83 175.29 1xa4 s ILE 340 N -3.74 2.44 0.00 3.27 1.01 -1.26 -1.35 121.20 121.57 1xa4 s ILE 340 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1xa4 s ILE 340 Cb 0.12 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1xa4 s ILE 340 CO 0.70 0.54 0.00 1.07 0.00 0.00 0.00 174.94 177.25 1xa4 n THR 341 N 3.70 0.00 -3.99 2.92 5.66 0.07 -4.86 114.28 117.78 1xa4 n THR 341 Ca -0.19 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.72 1xa4 n THR 341 Cb 0.52 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.20 1xa4 n THR 341 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1xa4 s GLN 342 N -1.94 0.42 0.23 1.09 -0.21 -1.26 -1.78 119.66 116.21 1xa4 s GLN 342 Ca 0.00 -0.75 -0.13 0.00 0.02 0.00 0.00 55.36 54.49 1xa4 s GLN 342 Cb 0.00 0.15 -0.00 0.00 1.00 0.00 0.00 33.01 34.16 1xa4 s GLN 342 CO 0.00 -0.08 0.47 1.67 -2.12 0.00 0.00 175.29 175.23 1xa4 s TRP 343 N -2.14 0.29 -0.15 0.91 -2.14 -0.30 -4.99 118.94 110.43 1xa4 s TRP 343 Ca -0.10 -0.65 -0.14 0.00 2.66 0.00 0.00 56.10 57.88 1xa4 s TRP 343 Cb -0.05 0.20 -0.05 0.00 -3.10 0.00 0.00 33.47 30.48 1xa4 s TRP 343 CO -0.03 -0.96 0.30 -0.65 -2.66 0.00 0.00 176.95 172.95 1xa4 s GLN 344 N -3.99 4.19 0.00 3.25 -1.52 -1.26 -0.94 119.66 119.39 1xa4 s GLN 344 Ca 0.20 0.12 0.00 0.00 -1.95 0.00 0.00 55.36 53.72 1xa4 s GLN 344 Cb -0.00 -3.40 0.00 0.00 -0.22 0.00 0.00 33.01 29.39 1xa4 s GLN 344 CO 0.06 0.29 0.00 0.25 -0.25 0.00 0.00 175.29 175.65 1xa4 n THR 345 N 3.38 0.00 -0.01 -0.19 -2.24 0.53 -3.97 114.28 111.78 1xa4 n THR 345 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1xa4 n THR 345 Cb 0.52 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1xa4 n THR 345 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xa4 n ASP 347 N 0.00 0.00 0.00 3.42 3.85 -1.26 -4.32 116.55 118.24 1xa4 n ASP 347 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1xa4 n ASP 347 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1xa4 n ASP 347 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xa4 n GLY 348 N 0.00 0.69 3.91 6.12 0.00 -1.26 -5.07 105.19 109.58 1xa4 n GLY 348 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xa4 n GLY 348 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xa4 s ARG 349 N -0.34 3.59 0.01 1.61 0.52 -1.26 -5.05 118.95 118.03 1xa4 s ARG 349 Ca 0.00 -0.11 -0.26 0.00 -0.52 0.00 0.00 55.73 54.84 1xa4 s ARG 349 Cb 0.00 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.74 1xa4 s ARG 349 CO 0.00 0.24 0.80 0.99 0.02 0.00 0.00 175.30 177.35 1xa4 s THR 350 N -2.08 4.82 -0.02 0.02 2.01 -1.26 -0.35 115.64 118.79 1xa4 s THR 350 Ca 0.42 1.69 0.07 0.00 0.31 0.00 0.00 61.69 64.18 1xa4 s THR 350 Cb -0.11 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1xa4 s THR 350 CO 0.31 0.29 -0.21 0.00 -0.69 0.00 0.00 174.62 174.32 1xa4 s LYS 352 N -0.51 2.05 0.00 0.00 2.20 -1.26 -1.15 119.74 121.08 1xa4 s LYS 352 Ca 0.08 -1.01 0.00 0.00 -0.36 0.00 0.00 55.97 54.68 1xa4 s LYS 352 Cb -0.08 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 1xa4 s LYS 352 CO -0.01 0.53 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 1xa4 n GLY 353 N 1.30 -1.68 3.71 5.54 0.00 -0.73 -5.00 105.19 108.32 1xa4 n GLY 353 Ca -0.16 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1xa4 n GLY 353 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xa4 n PRO 354 N -0.27 1.98 -1.12 1.61 -0.02 -1.26 -0.75 135.00 135.17 1xa4 n PRO 354 Ca 0.00 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1xa4 n PRO 354 Cb 0.00 -2.43 0.24 0.00 -0.02 0.00 0.00 33.50 31.28 1xa4 n PRO 354 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1xa4 s ASN 355 N -0.53 1.05 1.35 2.55 3.84 -0.46 -4.69 114.94 118.06 1xa4 s ASN 355 Ca 0.61 0.63 -0.20 0.00 0.21 0.00 0.00 52.86 54.11 1xa4 s ASN 355 Cb -0.49 -0.88 0.34 0.00 -0.55 0.00 0.00 41.25 39.66 1xa4 s ASN 355 CO 0.58 -4.04 0.97 -0.63 -2.79 0.00 0.00 177.10 171.18 1xa4 s ILE 356 N -3.04 1.41 0.03 -5.21 -1.09 -1.26 -5.02 121.20 107.03 1xa4 s ILE 356 Ca 0.71 0.00 -0.01 0.00 -2.23 0.00 0.00 60.65 59.12 1xa4 s ILE 356 Cb -0.10 -2.12 0.01 0.00 -1.58 0.00 0.00 42.46 38.67 1xa4 s ILE 356 CO 0.56 0.00 0.02 -0.81 -1.23 0.00 0.00 174.94 173.48 1xa4 n PRO 358 N -5.39 -2.00 -3.46 2.79 -0.04 -1.26 -5.03 135.00 120.60 1xa4 n PRO 358 Ca 0.10 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 1xa4 n PRO 358 Cb 0.59 -0.04 -0.09 0.00 -0.04 0.00 0.00 33.50 33.92 1xa4 n PRO 358 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xa4 s LYS 359 N -3.05 2.86 -0.01 0.54 1.02 -1.26 -4.80 119.74 115.05 1xa4 s LYS 359 Ca 0.02 -1.35 -0.28 0.00 0.02 0.00 0.00 55.97 54.37 1xa4 s LYS 359 Cb -0.00 -4.01 -0.03 0.00 -0.52 0.00 0.00 37.83 33.27 1xa4 s LYS 359 CO 0.01 -0.98 0.90 -0.06 -0.92 0.00 0.00 175.35 174.30 1xa4 s PHE 360 N 1.58 3.64 -0.06 3.18 0.08 -1.26 -4.99 117.98 120.15 1xa4 s PHE 360 Ca 0.04 1.58 -0.22 0.00 0.12 0.00 0.00 56.93 58.45 1xa4 s PHE 360 Cb -0.23 -3.03 -0.16 0.00 -0.57 0.00 0.00 43.02 39.02 1xa4 s PHE 360 CO 0.05 0.03 0.87 -0.22 -0.10 0.00 0.00 175.22 175.85 1xa4 h LYS 361 N 6.74 -0.17 0.19 0.44 1.63 -2.00 -3.17 116.57 120.24 1xa4 h LYS 361 Ca -0.41 0.01 -0.31 0.00 -0.85 0.00 0.00 60.65 59.09 1xa4 h LYS 361 Cb 1.21 0.04 0.02 0.00 -0.60 0.00 0.00 32.23 32.90 1xa4 h LYS 361 CO 0.75 0.30 -1.37 -0.91 -3.45 0.00 0.00 179.45 174.78 1xa4 h ASN 362 N -0.84 0.63 -2.22 4.20 2.35 -2.05 -3.40 115.58 114.25 1xa4 h ASN 362 Ca -0.02 -0.68 -0.58 0.00 -0.55 0.00 0.00 56.30 54.47 1xa4 h ASN 362 Cb 0.55 -0.21 -0.40 0.00 0.05 0.00 0.00 38.32 38.31 1xa4 h ASN 362 CO 0.03 1.53 -0.84 0.59 -1.65 0.00 0.00 177.43 177.09 1xa4 n ASN 363 N -3.62 1.75 -4.76 5.81 4.13 -1.26 -5.01 115.26 112.30 1xa4 n ASN 363 Ca -0.13 -3.00 -0.37 0.00 1.68 0.00 0.00 54.58 52.77 1xa4 n ASN 363 Cb 1.07 -0.65 0.02 0.00 -1.54 0.00 0.00 39.78 38.67 1xa4 n ASN 363 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1xa4 s PRO 364 N -1.57 3.33 1.09 3.52 0.04 -1.20 -3.65 135.00 136.56 1xa4 s PRO 364 Ca 0.36 1.95 -0.13 0.00 0.04 0.00 0.00 61.00 63.22 1xa4 s PRO 364 Cb 0.13 -2.23 0.24 0.00 0.04 0.00 0.00 34.50 32.68 1xa4 s PRO 364 CO -0.09 -0.95 1.07 0.20 0.04 0.00 0.00 177.00 177.27 1xa4 s GLY 365 N -1.28 1.55 0.15 0.56 0.00 -1.26 -3.57 107.32 103.48 1xa4 s GLY 365 Ca 0.70 -0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.86 1xa4 s GLY 365 CO 0.39 0.31 0.50 -0.86 0.00 0.00 0.00 173.10 173.44 1xa4 s GLN 366 N -4.85 1.22 -0.45 2.90 -2.07 -1.25 -4.97 119.66 110.19 1xa4 s GLN 366 Ca 0.67 -0.66 -0.19 0.00 -1.82 0.00 0.00 55.36 53.36 1xa4 s GLN 366 Cb -0.20 0.52 0.03 0.00 -1.09 0.00 0.00 33.01 32.28 1xa4 s GLN 366 CO 0.60 -0.51 0.58 0.42 -1.32 0.00 0.00 175.29 175.06 1xa4 s ILE 367 N -3.80 4.91 -0.11 3.63 1.01 -1.26 -4.88 121.20 120.70 1xa4 s ILE 367 Ca 0.04 -0.16 0.13 0.00 0.00 0.00 0.00 60.65 60.65 1xa4 s ILE 367 Cb 0.00 -4.18 -0.19 0.00 0.01 0.00 0.00 42.46 38.10 1xa4 s ILE 367 CO -0.10 -0.60 0.32 -2.67 0.00 0.00 0.00 174.94 171.88 1xa4 n TRP 368 N 6.06 0.00 -3.80 3.97 4.27 -1.26 -5.03 117.44 121.65 1xa4 n TRP 368 Ca -0.04 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.44 1xa4 n TRP 368 Cb 0.47 -0.24 -0.12 0.00 -1.36 0.00 0.00 31.31 30.06 1xa4 n TRP 368 CO 0.00 0.00 0.00 0.50 -2.29 0.00 0.00 177.69 175.90 1xa4 s ARG 369 N -2.76 0.28 0.00 -2.67 3.52 -1.26 -5.01 118.95 111.06 1xa4 s ARG 369 Ca -0.03 0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 1xa4 s ARG 369 Cb 0.08 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 1xa4 s ARG 369 CO 0.52 -0.04 0.09 0.41 -0.81 0.00 0.00 175.30 175.47 1xa4 n GLY 370 N 2.79 -0.26 3.24 8.12 0.00 -1.25 -1.32 105.19 116.51 1xa4 n GLY 370 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1xa4 n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xa4 s PRO 372 N -0.18 1.04 0.77 1.61 0.04 -1.26 -4.21 135.00 132.81 1xa4 s PRO 372 Ca 0.00 -1.40 -0.10 0.00 0.04 0.00 0.00 61.00 59.54 1xa4 s PRO 372 Cb 0.00 -0.65 0.07 0.00 0.04 0.00 0.00 34.50 33.96 1xa4 s PRO 372 CO 0.00 0.09 1.12 -1.54 0.04 0.00 0.00 177.00 176.71 1xa4 s SER 373 N -3.02 4.63 -0.07 6.66 1.04 -1.26 -4.97 113.70 116.70 1xa4 s SER 373 Ca 0.15 0.66 -0.29 0.00 0.48 0.00 0.00 55.95 56.95 1xa4 s SER 373 Cb 0.01 -1.22 -0.07 0.00 0.10 0.00 0.00 66.02 64.84 1xa4 s SER 373 CO 0.01 -1.79 2.03 -2.28 0.98 0.00 0.00 173.24 172.19 1xa4 s HIS 374 N -3.45 1.30 -0.12 5.02 2.46 -1.26 -4.71 115.29 114.52 1xa4 s HIS 374 Ca 0.61 -0.06 -0.07 0.00 0.47 0.00 0.00 55.06 56.01 1xa4 s HIS 374 Cb -0.11 -4.12 0.03 0.00 -0.13 0.00 0.00 32.58 28.25 1xa4 s HIS 374 CO 0.47 -4.90 0.15 0.41 -2.47 0.00 0.00 174.74 168.40 1xa4 n GLY 375 N 4.96 -4.36 0.00 1.59 0.00 -1.26 -4.86 105.19 101.24 1xa4 n GLY 375 Ca 0.23 0.93 0.00 0.00 0.00 0.00 0.00 46.02 47.19 1xa4 n GLY 375 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xa4 n ASP 377 N 1.01 0.00 -0.08 1.61 8.00 -0.05 -4.39 116.55 122.65 1xa4 n ASP 377 Ca -0.25 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.19 1xa4 n ASP 377 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1xa4 n ASP 377 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1xa4 h THR 378 N 0.00 0.78 -0.26 -3.53 2.02 -1.78 -0.90 112.91 109.23 1xa4 h THR 378 Ca 0.00 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1xa4 h THR 378 Cb 0.00 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1xa4 h THR 378 CO 0.00 0.02 0.04 0.00 0.37 0.00 0.00 175.52 175.95 1xa4 h ALA 379 N 1.26 0.35 -0.66 6.16 0.00 -1.88 -1.71 119.26 122.78 1xa4 h ALA 379 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1xa4 h ALA 379 Cb 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xa4 h ALA 379 CO -0.25 0.03 0.23 0.00 0.00 0.00 0.00 179.25 179.26 1xa4 h ALA 380 N 0.86 1.16 -0.19 0.00 0.00 -1.91 -1.67 119.26 117.51 1xa4 h ALA 380 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1xa4 h ALA 380 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xa4 h ALA 380 CO 0.01 0.59 0.02 0.82 0.00 0.00 0.00 179.25 180.69 1xa4 h ILE 381 N 0.97 1.24 -0.47 0.00 2.04 -1.06 -1.11 117.51 119.10 1xa4 h ILE 381 Ca 0.22 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 1xa4 h ILE 381 Cb 0.24 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1xa4 h ILE 381 CO -0.01 0.24 0.04 -0.07 0.00 0.00 0.00 178.15 178.34 1xa4 h LEU 382 N 0.10 0.79 -0.79 1.44 3.38 -1.20 -2.44 115.31 116.59 1xa4 h LEU 382 Ca 0.06 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1xa4 h LEU 382 Cb 0.34 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1xa4 h LEU 382 CO 0.01 0.88 0.52 0.50 0.09 0.00 0.00 178.44 180.43 1xa4 h LYS 383 N 0.67 1.04 -0.07 1.13 3.64 -1.33 -1.09 116.57 120.56 1xa4 h LYS 383 Ca 0.14 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1xa4 h LYS 383 Cb 0.45 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1xa4 h LYS 383 CO 0.02 0.70 -0.02 -0.97 -2.27 0.00 0.00 179.45 176.90 1xa4 h ASN 384 N 1.07 0.09 -0.72 4.20 -0.73 -0.78 -1.52 115.58 117.20 1xa4 h ASN 384 Ca 0.29 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.45 1xa4 h ASN 384 Cb -0.12 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.45 1xa4 h ASN 384 CO -0.06 0.14 0.00 2.30 -0.37 0.00 0.00 177.43 179.44 1xa4 n ILE 385 N -4.45 1.23 0.00 2.57 -5.35 -0.96 -4.94 119.36 107.47 1xa4 n ILE 385 Ca -0.02 -1.05 0.00 0.00 -0.27 0.00 0.00 62.75 61.42 1xa4 n ILE 385 Cb 0.15 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1xa4 n ILE 385 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xa4 n GLY 386 N 1.54 1.08 3.77 3.28 0.00 -0.57 -4.99 105.19 109.30 1xa4 n GLY 386 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1xa4 n GLY 386 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xa4 s TYR 387 N -2.00 3.80 0.52 1.61 2.02 -0.45 -4.98 117.35 117.87 1xa4 s TYR 387 Ca 0.00 1.82 -0.07 0.00 -0.37 0.00 0.00 57.07 58.45 1xa4 s TYR 387 Cb 0.00 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 1xa4 s TYR 387 CO 0.00 0.30 0.86 -1.54 -1.57 0.00 0.00 175.55 173.60 1xa4 s SER 388 N -1.46 6.25 0.31 2.29 1.04 -1.26 -4.18 113.70 116.69 1xa4 s SER 388 Ca 0.47 1.08 0.07 0.00 0.48 0.00 0.00 55.95 58.04 1xa4 s SER 388 Cb -0.21 -2.32 0.87 0.00 0.10 0.00 0.00 66.02 64.46 1xa4 s SER 388 CO 0.27 -0.67 1.64 -0.08 0.98 0.00 0.00 173.24 175.38 1xa4 h GLU 389 N 0.06 0.22 0.02 4.02 4.81 -1.99 -1.76 114.58 119.96 1xa4 h GLU 389 Ca -0.46 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.53 1xa4 h GLU 389 Cb 1.20 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1xa4 h GLU 389 CO 0.62 0.15 -0.97 -0.91 -0.73 0.00 0.00 179.01 177.17 1xa4 h ASN 390 N 0.23 0.47 -0.93 1.04 4.21 -1.99 -2.55 115.58 116.05 1xa4 h ASN 390 Ca 0.63 -0.39 0.03 0.00 1.21 0.00 0.00 56.30 57.78 1xa4 h ASN 390 Cb 1.35 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 38.36 1xa4 h ASN 390 CO -0.66 1.20 0.61 0.44 -1.29 0.00 0.00 177.43 177.72 1xa4 h ASP 391 N 0.19 1.01 -0.30 5.81 3.32 -1.78 -1.30 116.42 123.36 1xa4 h ASP 391 Ca -0.08 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 1xa4 h ASP 391 Cb 1.61 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1xa4 h ASP 391 CO 0.16 0.70 -0.15 0.40 -1.72 0.00 0.00 179.24 178.63 1xa4 h ILE 392 N 1.18 1.29 -0.53 0.35 2.04 -1.25 -2.01 117.51 118.59 1xa4 h ILE 392 Ca 0.37 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1xa4 h ILE 392 Cb -0.02 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1xa4 h ILE 392 CO -0.11 0.40 0.24 -0.61 0.00 0.00 0.00 178.15 178.07 1xa4 h GLN 393 N 0.39 0.75 -0.34 2.37 5.75 -1.25 -1.44 115.11 121.34 1xa4 h GLN 393 Ca 0.07 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1xa4 h GLN 393 Cb 0.68 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 1xa4 h GLN 393 CO 0.05 0.60 0.13 1.49 -2.65 0.00 0.00 178.83 178.44 1xa4 h GLU 394 N 0.75 0.51 -0.64 1.69 4.81 -0.95 -0.11 114.58 120.63 1xa4 h GLU 394 Ca 0.18 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1xa4 h GLU 394 Cb 0.11 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1xa4 h GLU 394 CO -0.02 0.50 0.32 -0.07 -0.73 0.00 0.00 179.01 179.01 1xa4 h LEU 395 N 0.40 0.43 -0.50 1.64 3.38 -0.76 -0.22 115.31 119.67 1xa4 h LEU 395 Ca 0.11 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1xa4 h LEU 395 Cb 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1xa4 h LEU 395 CO -0.01 0.27 0.15 0.58 0.09 0.00 0.00 178.44 179.52 1xa4 h VAL 396 N 0.57 1.23 -0.73 1.22 2.07 -0.93 -0.98 116.25 118.71 1xa4 h VAL 396 Ca 0.30 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1xa4 h VAL 396 Cb 0.27 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1xa4 h VAL 396 CO -0.23 0.28 0.28 0.28 0.02 0.00 0.00 177.57 178.21 1xa4 h SER 397 N 0.67 1.00 0.17 0.57 0.02 -0.36 -1.63 113.55 113.99 1xa4 h SER 397 Ca 0.16 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xa4 h SER 397 Cb 0.28 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1xa4 h SER 397 CO -0.00 0.89 0.00 0.29 -1.14 0.00 0.00 176.83 176.87 1xa4 n LYS 398 N -4.29 0.69 -1.10 3.45 5.02 -0.16 -4.89 118.16 116.89 1xa4 n LYS 398 Ca 0.06 0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1xa4 n LYS 398 Cb 0.19 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1xa4 n LYS 398 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xa4 n GLY 399 N 0.79 0.66 0.01 0.72 0.00 -0.61 -4.92 105.19 101.83 1xa4 n GLY 399 Ca 0.18 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.53 1xa4 n GLY 399 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xa4 n LEU 400 N -0.40 0.75 -3.76 0.99 4.77 -0.41 -4.86 117.00 114.08 1xa4 n LEU 400 Ca -0.04 -0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 55.58 1xa4 n LEU 400 Cb 0.13 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1xa4 n LEU 400 CO 0.05 0.17 0.02 0.00 -1.33 0.00 0.00 177.39 176.30 1xa4 s ALA 401 N -3.06 -0.61 -0.04 -1.18 0.00 -1.18 -0.84 121.76 114.86 1xa4 s ALA 401 Ca 0.07 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1xa4 s ALA 401 Cb 0.16 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.72 1xa4 s ALA 401 CO 0.81 -0.48 -0.10 0.21 0.00 0.00 0.00 175.76 176.20 1xa4 s LYS 402 N -3.10 1.16 0.00 0.00 2.20 -0.82 -4.24 119.74 114.95 1xa4 s LYS 402 Ca -0.01 -0.34 0.18 0.00 -0.36 0.00 0.00 55.97 55.45 1xa4 s LYS 402 Cb 0.01 -1.05 0.15 0.00 -1.51 0.00 0.00 37.83 35.42 1xa4 s LYS 402 CO -0.07 0.10 1.09 1.33 -0.36 0.00 0.00 175.35 177.43