#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 4.83 0.49 3.23 0.04 -1.26 -5.12 135.00 137.20 1xa4 s PRO 5 Ca 0.00 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 1xa4 s PRO 5 Cb 0.00 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 1xa4 s PRO 5 CO 0.00 0.46 0.92 -1.25 0.04 0.00 0.00 177.00 177.17 1xa4 s PRO 7 N -0.95 3.85 -0.30 0.56 0.04 -1.26 -5.20 135.00 131.74 1xa4 s PRO 7 Ca 0.42 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 1xa4 s PRO 7 Cb -0.25 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1xa4 s PRO 7 CO 0.32 -0.22 0.32 0.21 0.04 0.00 0.00 177.00 177.67 1xa4 s LYS 8 N -4.12 3.85 0.06 4.56 2.20 -1.26 -5.03 119.74 119.99 1xa4 s LYS 8 Ca 0.56 -0.20 -0.27 0.00 -0.36 0.00 0.00 55.97 55.70 1xa4 s LYS 8 Cb -0.10 -3.71 0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1xa4 s LYS 8 CO 0.34 -0.34 0.78 -0.59 -0.36 0.00 0.00 175.35 175.18 1xa4 s PHE 9 N 1.98 -0.42 0.00 4.03 -0.12 -1.26 -5.11 117.98 117.07 1xa4 s PHE 9 Ca 0.12 0.26 0.00 0.00 -0.05 0.00 0.00 56.93 57.26 1xa4 s PHE 9 Cb -0.16 0.55 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 1xa4 s PHE 9 CO 0.11 -0.66 0.00 0.41 -0.05 0.00 0.00 175.22 175.03 1xa4 n GLY 10 N -0.29 -2.00 0.28 1.99 0.00 -1.24 -3.50 105.19 100.44 1xa4 n GLY 10 Ca -0.12 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.53 1.61 0.13 -1.60 -3.14 132.00 128.47 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 0.07 0.00 1.28 -0.23 0.00 0.00 178.00 179.12 1xa4 n LEU 12 N -3.64 4.09 -4.56 1.56 4.77 -0.32 -4.99 117.00 113.91 1xa4 n LEU 12 Ca -0.02 -2.36 -0.48 0.00 -0.03 0.00 0.00 56.01 53.12 1xa4 n LEU 12 Cb 0.18 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1xa4 n LEU 12 CO 0.28 0.80 0.60 0.00 -1.33 0.00 0.00 177.39 177.74 1xa4 n ALA 13 N 0.81 -0.98 0.00 -1.18 0.00 -1.19 -2.01 120.51 115.96 1xa4 n ALA 13 Ca 0.22 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1xa4 n ALA 13 Cb 0.74 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.80 2.25 3.76 0.00 0.00 -1.26 -4.95 105.19 106.78 1xa4 n GLY 14 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 4.50 -0.25 0.99 2.96 -0.85 -4.91 118.68 121.12 1xa4 s LEU 15 Ca 0.00 1.98 -0.04 0.00 -0.22 0.00 0.00 54.13 55.85 1xa4 s LEU 15 Cb 0.00 -3.78 0.01 0.00 0.50 0.00 0.00 46.19 42.91 1xa4 s LEU 15 CO 0.00 -0.01 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.39 1xa4 s ARG 16 N -1.60 3.14 -0.04 1.98 3.00 -1.26 -1.00 118.95 123.17 1xa4 s ARG 16 Ca 0.46 -0.79 0.05 0.00 -1.00 0.00 0.00 55.73 54.44 1xa4 s ARG 16 Cb -0.24 -3.08 -0.00 0.00 0.00 0.00 0.00 34.95 31.62 1xa4 s ARG 16 CO 0.31 -0.32 -0.18 0.08 0.00 0.00 0.00 175.30 175.19 1xa4 s VAL 17 N 1.43 1.52 -0.04 7.11 1.01 0.04 -1.02 120.40 130.46 1xa4 s VAL 17 Ca 0.03 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1xa4 s VAL 17 Cb -0.16 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1xa4 s VAL 17 CO -0.03 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.64 1xa4 s VAL 18 N -0.02 1.45 0.04 2.92 1.01 -0.29 -0.53 120.40 125.00 1xa4 s VAL 18 Ca -0.03 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1xa4 s VAL 18 Cb -0.12 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1xa4 s VAL 18 CO 0.02 0.42 -0.16 0.72 0.00 0.00 0.00 175.10 176.10 1xa4 s PHE 19 N -0.06 1.35 -0.20 5.22 -0.12 -0.47 -0.77 117.98 122.93 1xa4 s PHE 19 Ca -0.02 -0.37 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 1xa4 s PHE 19 Cb -0.11 -0.80 0.04 0.00 -0.63 0.00 0.00 43.02 41.53 1xa4 s PHE 19 CO 0.02 0.05 -0.12 0.45 -0.05 0.00 0.00 175.22 175.57 1xa4 s SER 20 N -1.22 3.43 0.00 1.98 0.15 -0.23 -1.26 113.70 116.55 1xa4 s SER 20 Ca 0.03 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1xa4 s SER 20 Cb -0.08 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1xa4 s SER 20 CO 0.02 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1xa4 n GLY 21 N 4.64 1.26 3.48 9.45 0.00 -1.26 -1.45 105.19 121.31 1xa4 n GLY 21 Ca -0.16 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 1.27 0.00 -0.61 -4.36 -1.26 -4.71 121.20 109.53 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 -2.79 0.00 0.00 1.25 0.00 0.00 42.46 40.92 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 -0.74 0.00 -0.10 0.37 -0.58 -1.26 -4.33 120.64 114.00 1xa4 n GLU 23 Ca -0.03 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 1xa4 n GLU 23 Cb 0.67 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.49 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 1.49 0.36 -3.67 5.41 -1.26 -4.57 119.36 117.11 1xa4 n ILE 24 Ca 0.00 0.04 -0.17 0.00 1.00 0.00 0.00 62.75 63.63 1xa4 n ILE 24 Cb 0.00 -2.25 -0.08 0.00 -0.71 0.00 0.00 39.64 36.60 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 -0.96 -0.90 0.39 -1.39 0.00 -1.76 0.11 119.26 114.75 1xa4 h ALA 25 Ca -0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1xa4 h ALA 25 Cb 1.04 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1xa4 h ALA 25 CO -0.10 -0.94 -0.19 0.78 0.00 0.00 0.00 179.25 178.80 1xa4 h GLY 26 N -1.03 -0.55 1.11 0.00 0.00 -1.89 -2.70 103.07 98.00 1xa4 h GLY 26 Ca -0.09 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1xa4 h GLY 26 CO 0.15 -0.20 0.48 -2.55 0.00 0.00 0.00 176.54 174.42 1xa4 h PRO 27 N -0.53 0.81 -0.80 4.80 0.11 -1.80 -2.37 132.00 132.22 1xa4 h PRO 27 Ca -0.05 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 1xa4 h PRO 27 Cb 0.41 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.30 1xa4 h PRO 27 CO 0.08 0.54 0.36 0.35 -0.21 0.00 0.00 178.00 179.12 1xa4 h PHE 28 N 0.84 1.17 -0.12 0.65 3.57 -0.70 0.29 116.94 122.63 1xa4 h PHE 28 Ca 0.30 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1xa4 h PHE 28 Cb 0.14 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1xa4 h PHE 28 CO -0.00 0.86 0.07 0.00 -2.23 0.00 0.00 178.31 177.01 1xa4 h ALA 29 N 1.25 0.15 -0.40 2.41 0.00 -1.12 -3.14 119.26 118.41 1xa4 h ALA 29 Ca 0.27 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1xa4 h ALA 29 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xa4 h ALA 29 CO -0.03 -0.35 -0.29 0.78 0.00 0.00 0.00 179.25 179.36 1xa4 h GLY 30 N 0.13 0.98 -4.05 0.00 0.00 -1.03 -3.32 103.07 95.78 1xa4 h GLY 30 Ca 0.04 -0.94 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 1xa4 h GLY 30 CO -0.01 0.85 -0.08 -0.18 0.00 0.00 0.00 176.54 177.13 1xa4 n GLN 31 N -4.14 1.18 0.00 4.80 0.00 0.97 -3.38 117.38 116.82 1xa4 n GLN 31 Ca -0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 57.00 56.48 1xa4 n GLN 31 Cb 0.49 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.07 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 2.39 0.00 0.05 3.69 3.72 -1.25 -1.61 117.46 124.45 1xa4 n PHE 33 Ca 0.22 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1xa4 n PHE 33 Cb 0.55 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.56 -0.64 4.37 0.00 -1.77 -1.79 119.26 119.99 1xa4 h ALA 34 Ca 0.00 -0.62 0.15 0.00 0.00 0.00 0.00 54.91 54.45 1xa4 h ALA 34 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1xa4 h ALA 34 CO 0.00 0.76 0.45 0.93 0.00 0.00 0.00 179.25 181.39 1xa4 h GLU 35 N 0.28 0.18 -0.44 0.00 4.39 -1.62 -3.02 114.58 114.37 1xa4 h GLU 35 Ca -0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1xa4 h GLU 35 Cb 1.33 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1xa4 h GLU 35 CO 0.13 0.12 0.00 0.91 -1.16 0.00 0.00 179.01 179.01 1xa4 n TRP 36 N -4.42 0.89 0.00 4.33 8.01 -1.11 -3.71 117.44 121.43 1xa4 n TRP 36 Ca 0.12 -0.62 0.00 0.00 -1.31 0.00 0.00 57.50 55.69 1xa4 n TRP 36 Cb 0.58 -0.15 0.00 0.00 -2.01 0.00 0.00 31.31 29.73 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 0.52 1.10 3.82 6.99 0.00 -1.12 -1.17 105.19 115.33 1xa4 n GLY 37 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 2.92 -0.44 4.61 0.00 -0.69 -3.61 121.76 122.54 1xa4 s ALA 38 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1xa4 s ALA 38 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1xa4 s ALA 38 CO 0.00 -0.46 1.29 -2.00 0.00 0.00 0.00 175.76 174.59 1xa4 s GLU 39 N -3.97 3.63 -0.09 0.00 2.12 -0.17 -4.45 118.70 115.77 1xa4 s GLU 39 Ca 0.62 0.76 0.05 0.00 0.36 0.00 0.00 54.97 56.76 1xa4 s GLU 39 Cb -0.13 -3.98 -0.00 0.00 0.26 0.00 0.00 34.13 30.28 1xa4 s GLU 39 CO 0.32 -1.50 -0.24 0.08 -0.54 0.00 0.00 175.26 173.38 1xa4 s VAL 40 N 5.03 2.09 -0.21 3.70 1.01 -1.26 -0.78 120.40 129.98 1xa4 s VAL 40 Ca 0.55 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 1xa4 s VAL 40 Cb -0.11 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 1xa4 s VAL 40 CO 0.32 0.56 -0.04 -0.63 0.00 0.00 0.00 175.10 175.32 1xa4 s ILE 41 N 0.17 3.49 -0.36 2.22 1.01 0.31 -1.42 121.20 126.62 1xa4 s ILE 41 Ca -0.14 -0.46 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 1xa4 s ILE 41 Cb -0.17 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.73 1xa4 s ILE 41 CO 0.07 0.43 0.59 0.86 0.00 0.00 0.00 174.94 176.90 1xa4 s TRP 42 N 1.23 3.15 -0.12 3.97 -0.00 0.64 -1.37 118.94 126.45 1xa4 s TRP 42 Ca 0.03 0.25 -0.19 0.00 -0.00 0.00 0.00 56.10 56.19 1xa4 s TRP 42 Cb -0.14 -3.08 -0.04 0.00 -0.00 0.00 0.00 33.47 30.21 1xa4 s TRP 42 CO -0.01 -0.62 0.53 0.42 -0.00 0.00 0.00 176.95 177.27 1xa4 s ILE 43 N 2.60 5.15 0.13 5.86 1.01 -0.39 -1.09 121.20 134.47 1xa4 s ILE 43 Ca 0.22 1.06 0.10 0.00 0.00 0.00 0.00 60.65 62.03 1xa4 s ILE 43 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1xa4 s ILE 43 CO 0.15 0.29 -0.25 -1.61 0.00 0.00 0.00 174.94 173.52 1xa4 s GLU 44 N 0.78 1.34 0.89 2.79 2.02 0.25 -4.42 118.70 122.36 1xa4 s GLU 44 Ca 0.28 -1.32 -0.10 0.00 0.02 0.00 0.00 54.97 53.85 1xa4 s GLU 44 Cb -0.16 -1.76 0.13 0.00 0.10 0.00 0.00 34.13 32.44 1xa4 s GLU 44 CO 0.12 0.41 1.12 1.21 0.02 0.00 0.00 175.26 178.14 1xa4 s ASN 45 N -2.09 3.24 -0.11 -0.19 3.84 -1.24 -2.02 114.94 116.38 1xa4 s ASN 45 Ca 0.13 1.98 -0.25 0.00 0.21 0.00 0.00 52.86 54.92 1xa4 s ASN 45 Cb -0.10 -2.50 -0.22 0.00 -0.55 0.00 0.00 41.25 37.88 1xa4 s ASN 45 CO 0.06 -2.86 0.77 0.58 -2.79 0.00 0.00 177.10 172.86 1xa4 h VAL 46 N -1.70 1.50 0.00 -5.21 2.07 -1.90 -3.36 116.25 107.64 1xa4 h VAL 46 Ca -0.45 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1xa4 h VAL 46 Cb 1.26 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 1xa4 h VAL 46 CO 0.46 0.48 -0.30 0.00 0.02 0.00 0.00 177.57 178.23 1xa4 n ALA 47 N -2.59 2.64 -3.70 1.67 0.00 -1.26 -4.76 120.51 112.52 1xa4 n ALA 47 Ca -0.09 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 52.93 1xa4 n ALA 47 Cb 0.39 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.35 1xa4 n ALA 47 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xa4 s TRP 48 N -3.11 0.88 0.65 0.00 0.52 -1.26 -5.13 118.94 111.49 1xa4 s TRP 48 Ca 0.09 -0.84 -0.12 0.00 0.02 0.00 0.00 56.10 55.25 1xa4 s TRP 48 Cb 0.14 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.42 1xa4 s TRP 48 CO 0.65 -0.63 1.05 0.00 0.02 0.00 0.00 176.95 178.03 1xa4 s ALA 49 N 1.91 2.81 -0.07 0.98 0.00 -1.26 -3.62 121.76 122.50 1xa4 s ALA 49 Ca 0.01 0.11 -0.39 0.00 0.00 0.00 0.00 51.96 51.69 1xa4 s ALA 49 Cb -0.17 -3.16 -0.17 0.00 0.00 0.00 0.00 23.12 19.62 1xa4 s ALA 49 CO -0.12 -0.97 1.45 -3.47 0.00 0.00 0.00 175.76 172.64 1xa4 n ASP 50 N -2.76 1.65 0.18 0.00 -0.08 -1.26 -4.84 116.55 109.43 1xa4 n ASP 50 Ca 0.07 1.11 0.13 0.00 -1.51 0.00 0.00 54.79 54.60 1xa4 n ASP 50 Cb 0.54 -1.12 0.63 0.00 2.34 0.00 0.00 41.12 43.50 1xa4 n ASP 50 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1xa4 h THR 51 N 3.96 0.00 -0.40 5.18 1.35 -1.97 -2.23 112.91 118.80 1xa4 h THR 51 Ca -0.47 -0.10 0.12 0.00 -0.55 0.00 0.00 66.41 65.40 1xa4 h THR 51 Cb 1.34 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 1xa4 h THR 51 CO 0.83 0.00 0.29 -0.29 -0.25 0.00 0.00 175.52 176.10 1xa4 h ILE 52 N 0.00 0.80 0.00 6.82 6.09 -1.90 -2.53 117.51 126.79 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 0.14 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.23 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 0.00 2.19 3.08 -1.77 -1.52 114.38 116.36 1xa4 h ARG 53 Ca 0.19 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 1xa4 h ARG 53 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1xa4 h ARG 53 CO -0.00 0.00 -0.24 0.28 -1.07 0.00 0.00 179.97 178.93 1xa4 h VAL 54 N 0.00 0.98 -3.46 2.04 2.07 -1.68 -3.43 116.25 112.76 1xa4 h VAL 54 Ca 0.00 -0.89 -0.52 0.00 0.82 0.00 0.00 66.70 66.11 1xa4 h VAL 54 Cb 0.27 1.51 0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1xa4 h VAL 54 CO 0.00 0.24 0.58 -1.10 0.02 0.00 0.00 177.57 177.31 1xa4 s GLN 55 N -4.26 4.47 0.42 1.57 -1.52 -0.57 -4.95 119.66 114.81 1xa4 s GLN 55 Ca -0.03 1.92 0.22 0.00 -1.95 0.00 0.00 55.36 55.53 1xa4 s GLN 55 Cb 0.14 -3.23 0.80 0.00 -0.22 0.00 0.00 33.01 30.50 1xa4 s GLN 55 CO 0.67 -0.13 1.78 -1.00 -0.25 0.00 0.00 175.29 176.36 1xa4 h PRO 56 N 5.26 0.00 0.00 2.91 0.13 -1.88 -3.42 132.00 135.00 1xa4 h PRO 56 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.75 0.26 -0.39 0.09 -0.23 0.00 0.00 178.00 178.49 1xa4 n ASN 57 N -3.39 1.09 -0.25 1.44 4.13 -1.26 -4.89 115.26 112.12 1xa4 n ASN 57 Ca 0.00 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.32 1xa4 n ASN 57 Cb 0.47 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 38.88 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 0.09 0.00 3.10 3.20 -1.95 -0.51 116.97 120.90 1xa4 h TYR 58 Ca 0.00 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1xa4 h TYR 58 Cb 0.39 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 1xa4 h TYR 58 CO 0.00 -0.18 -0.03 -1.00 -1.64 0.00 0.00 178.16 175.31 1xa4 h PRO 59 N 0.16 0.00 -0.32 1.82 0.13 -1.84 -0.13 132.00 131.83 1xa4 h PRO 59 Ca 0.42 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.62 1xa4 h PRO 59 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1xa4 h PRO 59 CO -0.60 0.03 0.22 1.96 -0.23 0.00 0.00 178.00 179.38 1xa4 h GLN 60 N 0.00 0.09 0.00 0.86 1.08 -1.43 -0.03 115.11 115.68 1xa4 h GLN 60 Ca -0.00 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1xa4 h GLN 60 Cb 0.29 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1xa4 h GLN 60 CO 0.00 0.06 -0.56 1.25 -0.95 0.00 0.00 178.83 178.64 1xa4 h LEU 61 N 0.10 0.00 0.00 1.46 5.85 -1.18 -3.32 115.31 118.22 1xa4 h LEU 61 Ca 0.15 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1xa4 h LEU 61 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1xa4 h LEU 61 CO -0.01 1.10 0.00 -1.54 -0.34 0.00 0.00 178.44 177.64 1xa4 n SER 62 N -4.56 0.00 -0.25 1.25 3.41 -0.47 -2.67 113.62 110.32 1xa4 n SER 62 Ca -0.17 0.06 0.04 0.00 -0.26 0.00 0.00 58.87 58.54 1xa4 n SER 62 Cb 0.47 -0.32 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.32 0.72 -1.66 4.33 5.12 -0.05 -4.85 116.66 118.96 1xa4 n ARG 63 Ca 0.10 -1.60 -0.32 0.00 -1.93 0.00 0.00 57.85 54.10 1xa4 n ARG 63 Cb 0.19 -0.92 0.05 0.00 -1.16 0.00 0.00 32.46 30.62 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 -1.18 2.75 -0.99 5.56 1.70 -1.09 -3.63 118.95 122.07 1xa4 s ARG 64 Ca 0.12 1.27 0.00 0.00 -0.47 0.00 0.00 55.73 56.65 1xa4 s ARG 64 Cb 0.11 -1.95 0.00 0.00 -0.57 0.00 0.00 34.95 32.53 1xa4 s ARG 64 CO 0.01 -1.27 0.00 0.09 -1.08 0.00 0.00 175.30 173.05 1xa4 n ASN 65 N -2.70 -4.84 -4.82 -2.89 4.13 -0.25 -4.82 115.26 99.08 1xa4 n ASN 65 Ca 0.10 0.23 -0.26 0.00 1.68 0.00 0.00 54.58 56.32 1xa4 n ASN 65 Cb 0.52 -3.16 -0.05 0.00 -1.54 0.00 0.00 39.78 35.55 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 -2.13 3.88 -0.15 3.41 1.43 -1.24 -4.63 118.68 119.25 1xa4 s LEU 66 Ca 0.00 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 1xa4 s LEU 66 Cb 0.00 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1xa4 s LEU 66 CO 0.00 0.07 0.10 -1.00 0.23 0.00 0.00 176.35 175.76 1xa4 s HIS 67 N -1.72 3.41 -0.27 0.29 3.76 -0.51 -4.49 115.29 115.76 1xa4 s HIS 67 Ca 0.31 0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 55.44 1xa4 s HIS 67 Cb -0.10 -2.02 -0.05 0.00 1.11 0.00 0.00 32.58 31.52 1xa4 s HIS 67 CO 0.24 0.44 0.17 0.00 -0.85 0.00 0.00 174.74 174.73 1xa4 s ALA 68 N -0.27 3.49 -0.12 -1.40 0.00 -1.26 -0.26 121.76 121.93 1xa4 s ALA 68 Ca 0.10 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1xa4 s ALA 68 Cb -0.12 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 1xa4 s ALA 68 CO 0.01 -0.48 -0.10 -1.17 0.00 0.00 0.00 175.76 174.01 1xa4 s LEU 69 N 1.63 2.90 -0.22 0.00 2.96 -0.25 -1.08 118.68 124.61 1xa4 s LEU 69 Ca 0.07 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1xa4 s LEU 69 Cb -0.16 -1.66 0.04 0.00 0.50 0.00 0.00 46.19 44.92 1xa4 s LEU 69 CO 0.09 0.21 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.63 1xa4 s SER 70 N 0.11 3.80 -0.23 3.68 0.15 -1.26 -0.58 113.70 119.37 1xa4 s SER 70 Ca -0.04 -0.97 -0.16 0.00 0.70 0.00 0.00 55.95 55.48 1xa4 s SER 70 Cb -0.14 -1.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.70 1xa4 s SER 70 CO 0.04 -0.09 0.58 -0.22 1.20 0.00 0.00 173.24 174.74 1xa4 s LEU 71 N 1.22 -0.45 -0.68 3.45 2.96 -0.86 -1.53 118.68 122.80 1xa4 s LEU 71 Ca -0.01 1.22 -0.27 0.00 -0.22 0.00 0.00 54.13 54.85 1xa4 s LEU 71 Cb -0.16 1.97 0.03 0.00 0.50 0.00 0.00 46.19 48.52 1xa4 s LEU 71 CO -0.09 -0.21 1.31 0.21 -1.32 0.00 0.00 176.35 176.25 1xa4 s ASN 72 N 1.06 6.16 0.00 3.68 3.84 -0.23 -4.53 114.94 124.92 1xa4 s ASN 72 Ca -0.06 -0.20 0.30 0.00 0.21 0.00 0.00 52.86 53.11 1xa4 s ASN 72 Cb -0.06 -2.56 1.52 0.00 -0.55 0.00 0.00 41.25 39.61 1xa4 s ASN 72 CO -0.10 -1.78 2.02 2.30 -2.79 0.00 0.00 177.10 176.75 1xa4 n ILE 73 N 6.55 0.00 0.62 -5.21 -5.35 -1.26 -3.19 119.36 111.52 1xa4 n ILE 73 Ca 0.06 -0.06 0.07 0.00 -0.27 0.00 0.00 62.75 62.55 1xa4 n ILE 73 Cb 0.49 -0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.13 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 -0.85 0.00 -4.61 4.28 3.72 -1.26 -3.84 117.46 114.91 1xa4 n PHE 74 Ca 0.19 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.28 1xa4 n PHE 74 Cb 0.21 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.59 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 -1.90 2.70 1.21 -1.08 2.47 -1.23 -4.79 119.74 117.13 1xa4 s LYS 75 Ca 0.09 -0.74 0.00 0.00 -1.56 0.00 0.00 55.97 53.76 1xa4 s LYS 75 Cb 0.11 -2.21 0.00 0.00 -1.46 0.00 0.00 37.83 34.26 1xa4 s LYS 75 CO 0.42 -0.03 0.00 -0.25 0.16 0.00 0.00 175.35 175.65 1xa4 n ASP 76 N 4.10 0.00 0.04 1.43 8.00 -1.26 -0.48 116.55 128.38 1xa4 n ASP 76 Ca -0.20 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.29 1xa4 n ASP 76 Cb 0.51 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.88 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 0.43 -0.35 -1.24 3.07 -1.98 -2.29 114.58 112.22 1xa4 h GLU 77 Ca 0.00 -0.13 0.03 0.00 -0.50 0.00 0.00 59.36 58.77 1xa4 h GLU 77 Cb 0.00 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 1xa4 h GLU 77 CO 0.00 0.58 0.14 0.78 -1.40 0.00 0.00 179.01 179.11 1xa4 h GLY 78 N 0.93 0.45 1.15 -3.84 0.00 -0.94 -1.01 103.07 99.81 1xa4 h GLY 78 Ca 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1xa4 h GLY 78 CO 0.03 0.05 0.27 -0.09 0.00 0.00 0.00 176.54 176.81 1xa4 h ARG 79 N 0.30 1.08 -0.36 4.80 2.43 -1.18 -1.51 114.38 119.94 1xa4 h ARG 79 Ca 0.15 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1xa4 h ARG 79 Cb 0.10 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1xa4 h ARG 79 CO -0.14 0.89 0.12 1.49 -1.51 0.00 0.00 179.97 180.82 1xa4 h GLU 80 N 1.05 0.56 -0.76 0.20 4.81 -1.06 -1.19 114.58 118.18 1xa4 h GLU 80 Ca 0.24 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1xa4 h GLU 80 Cb 0.23 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1xa4 h GLU 80 CO -0.02 0.57 0.34 0.00 -0.73 0.00 0.00 179.01 179.18 1xa4 h ALA 81 N 0.96 0.99 -0.24 2.92 0.00 -1.02 -1.05 119.26 121.81 1xa4 h ALA 81 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xa4 h ALA 81 Cb 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xa4 h ALA 81 CO -0.00 0.58 0.13 0.35 0.00 0.00 0.00 179.25 180.30 1xa4 h PHE 82 N 1.09 0.34 0.00 0.00 3.57 -1.09 -1.33 116.94 119.52 1xa4 h PHE 82 Ca 0.26 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 1xa4 h PHE 82 Cb 0.16 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1xa4 h PHE 82 CO 0.01 0.30 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.94 1xa4 h LEU 83 N 0.28 0.00 -0.26 0.59 3.38 -1.06 -2.51 115.31 115.73 1xa4 h LEU 83 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1xa4 h LEU 83 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xa4 h LEU 83 CO -0.01 0.38 -0.04 0.50 0.09 0.00 0.00 178.44 179.36 1xa4 h LYS 84 N 0.00 0.48 -1.86 1.13 1.63 -1.01 -3.20 116.57 113.74 1xa4 h LYS 84 Ca -0.00 -0.18 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1xa4 h LYS 84 Cb 0.75 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 1xa4 h LYS 84 CO 0.05 0.69 0.00 -0.11 -3.45 0.00 0.00 179.45 176.63 1xa4 n LEU 85 N -4.57 0.00 0.00 5.20 7.94 -0.52 -4.09 117.00 120.97 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 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1xa4 n LEU 85 CO 0.39 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.05 1xa4 n GLU 87 N 1.32 0.00 -0.26 1.96 1.02 -1.21 -3.26 120.64 120.21 1xa4 n GLU 87 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1xa4 n GLU 87 Cb 0.00 -0.74 0.18 0.00 -0.02 0.00 0.00 31.44 30.86 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 -0.01 1.47 -3.84 2.62 -2.24 -1.26 -4.86 114.28 106.15 1xa4 n THR 88 Ca 0.00 -1.33 -0.36 0.00 -2.27 0.00 0.00 64.05 60.09 1xa4 n THR 88 Cb 0.00 0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.67 5.38 -0.08 4.28 2.01 -1.20 -4.80 115.64 119.56 1xa4 s THR 89 Ca 0.29 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.33 1xa4 s THR 89 Cb 0.20 -3.39 -0.28 0.00 0.01 0.00 0.00 72.50 69.03 1xa4 s THR 89 CO 0.13 0.54 0.57 0.44 -0.69 0.00 0.00 174.62 175.61 1xa4 h ASP 90 N 5.77 0.48 -3.52 3.53 3.32 -1.46 -3.44 116.42 121.10 1xa4 h ASP 90 Ca -0.48 -0.90 -0.36 0.00 0.02 0.00 0.00 57.03 55.31 1xa4 h ASP 90 Cb 1.19 -0.16 -0.33 0.00 0.22 0.00 0.00 39.33 40.25 1xa4 h ASP 90 CO 0.66 1.72 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.51 1xa4 s ILE 91 N -2.53 0.30 -0.15 0.35 1.01 -1.11 -2.16 121.20 116.92 1xa4 s ILE 91 Ca -0.19 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1xa4 s ILE 91 Cb 0.05 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.16 1xa4 s ILE 91 CO 0.80 0.17 -0.19 0.12 0.00 0.00 0.00 174.94 175.84 1xa4 s PHE 92 N 0.88 2.73 -0.18 3.97 5.36 -0.32 -1.13 117.98 129.28 1xa4 s PHE 92 Ca -0.10 -1.21 -0.03 0.00 -0.96 0.00 0.00 56.93 54.63 1xa4 s PHE 92 Cb -0.13 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.68 1xa4 s PHE 92 CO -0.01 -0.55 -0.05 0.42 -1.46 0.00 0.00 175.22 173.57 1xa4 s ILE 93 N 0.83 3.53 -0.02 3.12 1.01 0.05 -1.12 121.20 128.60 1xa4 s ILE 93 Ca -0.06 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1xa4 s ILE 93 Cb -0.15 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.75 1xa4 s ILE 93 CO -0.01 0.46 -0.08 -1.83 0.00 0.00 0.00 174.94 173.48 1xa4 s GLU 94 N 0.85 0.81 -0.18 2.79 4.04 -0.38 -1.07 118.70 125.58 1xa4 s GLU 94 Ca -0.01 -0.28 -0.03 0.00 0.04 0.00 0.00 54.97 54.69 1xa4 s GLU 94 Cb -0.15 -0.77 -0.02 0.00 0.02 0.00 0.00 34.13 33.21 1xa4 s GLU 94 CO 0.01 0.12 -0.05 0.00 -1.84 0.00 0.00 175.26 173.50 1xa4 s ALA 95 N 0.10 2.86 0.34 -0.84 0.00 -0.53 -0.89 121.76 122.81 1xa4 s ALA 95 Ca -0.01 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 1xa4 s ALA 95 Cb -0.07 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.53 1xa4 s ALA 95 CO 0.00 -0.06 0.81 -1.54 0.00 0.00 0.00 175.76 174.97 1xa4 s SER 96 N 0.85 -0.04 -0.78 0.00 1.04 -0.84 -4.62 113.70 109.30 1xa4 s SER 96 Ca -0.01 -0.99 -0.26 0.00 0.48 0.00 0.00 55.95 55.17 1xa4 s SER 96 Cb -0.15 0.79 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1xa4 s SER 96 CO 0.01 -1.54 1.26 -0.54 0.98 0.00 0.00 173.24 173.41 1xa4 s LYS 97 N -2.58 3.25 3.84 4.02 1.02 -1.26 -4.27 119.74 123.76 1xa4 s LYS 97 Ca 0.15 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1xa4 s LYS 97 Cb -0.05 -4.39 0.00 0.00 -0.52 0.00 0.00 37.83 32.87 1xa4 s LYS 97 CO 0.10 -2.10 0.00 0.41 -0.92 0.00 0.00 175.35 172.84 1xa4 n GLY 98 N 5.61 1.16 2.04 -3.33 0.00 -1.21 -3.49 105.19 105.97 1xa4 n GLY 98 Ca 0.07 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 0.97 2.15 -0.28 1.61 -0.04 -1.26 -4.64 135.00 133.51 1xa4 n PRO 99 Ca 0.00 -1.13 -0.04 0.00 -0.04 0.00 0.00 63.50 62.29 1xa4 n PRO 99 Cb 0.00 -2.07 0.11 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.15 1.16 -0.24 0.55 0.00 -1.91 -2.31 119.26 119.66 1xa4 h ALA 100 Ca 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xa4 h ALA 100 Cb 1.40 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1xa4 h ALA 100 CO 0.37 0.64 0.13 0.74 0.00 0.00 0.00 179.25 181.13 1xa4 h PHE 101 N 1.15 0.33 -0.95 0.00 -1.00 -1.84 -2.22 116.94 112.41 1xa4 h PHE 101 Ca 0.28 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 61.12 1xa4 h PHE 101 Cb 0.12 -0.10 -0.07 0.00 3.61 0.00 0.00 35.95 39.51 1xa4 h PHE 101 CO 0.01 0.28 0.61 0.00 -1.61 0.00 0.00 178.31 177.60 1xa4 h ALA 102 N 1.02 1.33 -0.26 2.45 0.00 -1.44 -0.79 119.26 121.57 1xa4 h ALA 102 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xa4 h ALA 102 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1xa4 h ALA 102 CO -0.01 0.37 0.13 0.00 0.00 0.00 0.00 179.25 179.73 1xa4 h ARG 103 N 1.09 0.36 -0.44 0.00 3.08 -1.04 -2.33 114.38 115.10 1xa4 h ARG 103 Ca 0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1xa4 h ARG 103 Cb 0.19 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1xa4 h ARG 103 CO -0.18 0.28 0.00 0.54 -1.07 0.00 0.00 179.97 179.54 1xa4 n ARG 104 N -4.45 2.05 0.00 0.04 5.12 -0.50 -4.92 116.66 114.01 1xa4 n ARG 104 Ca 0.01 -1.50 0.00 0.00 -1.93 0.00 0.00 57.85 54.43 1xa4 n ARG 104 Cb 0.11 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1xa4 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xa4 n GLY 105 N 1.09 0.96 3.41 -0.13 0.00 -0.88 -5.00 105.19 104.64 1xa4 n GLY 105 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.24 5.49 0.72 -0.61 1.01 -0.42 -4.89 121.20 120.25 1xa4 s ILE 106 Ca 0.00 -3.02 -0.11 0.00 0.00 0.00 0.00 60.65 57.53 1xa4 s ILE 106 Cb 0.00 -4.77 0.03 0.00 0.01 0.00 0.00 42.46 37.73 1xa4 s ILE 106 CO 0.00 -1.42 1.09 0.42 0.00 0.00 0.00 174.94 175.03 1xa4 s THR 107 N 0.24 3.10 0.33 2.92 -4.23 -1.26 -3.05 115.64 113.69 1xa4 s THR 107 Ca 0.37 0.27 0.05 0.00 -1.18 0.00 0.00 61.69 61.20 1xa4 s THR 107 Cb -0.06 -3.34 0.30 0.00 1.34 0.00 0.00 72.50 70.74 1xa4 s THR 107 CO -0.04 -0.43 1.89 0.44 -0.54 0.00 0.00 174.62 175.95 1xa4 h ASP 108 N -0.68 0.77 -0.78 3.99 3.32 -1.97 -1.75 116.42 119.32 1xa4 h ASP 108 Ca -0.45 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1xa4 h ASP 108 Cb 1.27 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 1xa4 h ASP 108 CO 0.64 0.45 0.35 -0.33 -1.72 0.00 0.00 179.24 178.63 1xa4 h GLU 109 N 0.85 1.14 -0.34 3.56 3.07 -1.98 0.48 114.58 121.35 1xa4 h GLU 109 Ca 0.41 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 59.04 1xa4 h GLU 109 Cb 0.44 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1xa4 h GLU 109 CO -0.18 0.90 0.04 0.28 -1.40 0.00 0.00 179.01 178.65 1xa4 h VAL 110 N 1.11 1.24 -0.89 3.13 2.07 -1.75 -1.48 116.25 119.68 1xa4 h VAL 110 Ca 0.26 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1xa4 h VAL 110 Cb 0.16 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1xa4 h VAL 110 CO -0.03 0.29 0.59 -0.07 0.02 0.00 0.00 177.57 178.37 1xa4 h LEU 111 N 0.41 1.02 -0.73 2.57 3.38 -0.64 -2.70 115.31 118.62 1xa4 h LEU 111 Ca 0.10 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1xa4 h LEU 111 Cb 0.39 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1xa4 h LEU 111 CO 0.01 0.74 -0.36 -0.50 0.09 0.00 0.00 178.44 178.42 1xa4 h TRP 112 N 1.20 0.00 -0.17 1.13 6.55 -0.74 -0.32 115.95 123.61 1xa4 h TRP 112 Ca 0.33 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.15 1xa4 h TRP 112 Cb -0.13 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.16 1xa4 h TRP 112 CO -0.01 0.36 0.02 1.96 -1.05 0.00 0.00 178.44 179.72 1xa4 h GLN 113 N 0.00 0.24 0.09 0.49 4.20 -0.94 -1.47 115.11 117.71 1xa4 h GLN 113 Ca -0.00 -0.03 -0.31 0.00 0.06 0.00 0.00 58.65 58.37 1xa4 h GLN 113 Cb 0.98 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1xa4 h GLN 113 CO 0.05 0.25 -1.63 0.45 -0.67 0.00 0.00 178.83 177.27 1xa4 h HIS 114 N 0.24 0.33 -2.13 2.96 3.86 -1.24 -3.44 115.15 115.72 1xa4 h HIS 114 Ca 0.06 -0.24 -0.31 0.00 -1.16 0.00 0.00 60.37 58.71 1xa4 h HIS 114 Cb 0.14 -0.01 -0.33 0.00 1.06 0.00 0.00 27.41 28.26 1xa4 h HIS 114 CO 0.00 1.35 -0.62 1.21 0.86 0.00 0.00 177.93 180.73 1xa4 s ASN 115 N -6.77 1.52 0.17 2.45 2.47 -0.20 -4.39 114.94 110.19 1xa4 s ASN 115 Ca -0.10 -0.67 0.20 0.00 0.42 0.00 0.00 52.86 52.72 1xa4 s ASN 115 Cb 0.07 0.56 0.85 0.00 -1.45 0.00 0.00 41.25 41.29 1xa4 s ASN 115 CO 0.83 -0.38 1.62 -0.81 -3.72 0.00 0.00 177.10 174.64 1xa4 n PRO 116 N 5.32 0.13 0.00 0.43 -0.04 -0.57 -2.05 135.00 138.21 1xa4 n PRO 116 Ca -0.02 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 1xa4 n PRO 116 Cb 0.47 -1.74 0.51 0.00 -0.04 0.00 0.00 33.50 32.70 1xa4 n PRO 116 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xa4 n LYS 117 N -1.97 1.21 -1.80 0.54 5.02 -1.26 -0.98 118.16 118.92 1xa4 n LYS 117 Ca 0.03 -0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 55.25 1xa4 n LYS 117 Cb 0.21 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1xa4 n LYS 117 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xa4 s LEU 118 N -2.24 4.36 -0.23 -0.35 2.96 -0.87 -4.00 118.68 118.32 1xa4 s LEU 118 Ca 0.33 2.86 -0.20 0.00 -0.22 0.00 0.00 54.13 56.89 1xa4 s LEU 118 Cb 0.20 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 1xa4 s LEU 118 CO 0.42 -0.91 0.61 -0.69 -1.32 0.00 0.00 176.35 174.46 1xa4 s VAL 119 N 0.56 5.02 -0.22 1.68 1.01 -0.92 -1.74 120.40 125.80 1xa4 s VAL 119 Ca 0.68 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 63.77 1xa4 s VAL 119 Cb -0.48 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1xa4 s VAL 119 CO 0.40 0.08 -0.11 -0.63 0.00 0.00 0.00 175.10 174.84 1xa4 s ILE 120 N 2.16 2.69 -0.28 2.22 1.01 0.55 -1.18 121.20 128.37 1xa4 s ILE 120 Ca 0.27 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 1xa4 s ILE 120 Cb -0.16 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1xa4 s ILE 120 CO 0.09 0.37 0.06 0.00 0.00 0.00 0.00 174.94 175.46 1xa4 s ALA 121 N 1.34 3.03 -0.35 9.38 0.00 -0.27 -0.85 121.76 134.04 1xa4 s ALA 121 Ca 0.03 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.46 1xa4 s ALA 121 Cb -0.15 -2.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 1xa4 s ALA 121 CO -0.07 -0.84 0.22 -1.01 0.00 0.00 0.00 175.76 174.05 1xa4 s HIS 122 N 1.49 3.22 -0.25 0.00 3.76 0.31 -1.24 115.29 122.58 1xa4 s HIS 122 Ca 0.03 -0.51 -0.08 0.00 -0.15 0.00 0.00 55.06 54.35 1xa4 s HIS 122 Cb -0.17 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 1xa4 s HIS 122 CO 0.02 -0.48 0.11 -1.17 -0.85 0.00 0.00 174.74 172.37 1xa4 s LEU 123 N 1.66 3.66 0.19 0.89 0.20 -0.06 -0.98 118.68 124.23 1xa4 s LEU 123 Ca 0.05 -0.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.75 1xa4 s LEU 123 Cb -0.18 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.55 1xa4 s LEU 123 CO 0.09 -0.01 0.10 -0.94 -0.29 0.00 0.00 176.35 175.29 1xa4 s SER 124 N 1.51 0.32 0.17 3.68 1.04 -0.63 -1.98 113.70 117.81 1xa4 s SER 124 Ca 0.06 -1.33 -0.08 0.00 0.48 0.00 0.00 55.95 55.07 1xa4 s SER 124 Cb -0.15 0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.34 1xa4 s SER 124 CO 0.06 -0.79 1.53 1.23 0.98 0.00 0.00 173.24 176.25 1xa4 h GLY 125 N 2.67 0.96 0.00 7.32 0.00 -1.85 -3.37 103.07 108.80 1xa4 h GLY 125 Ca -0.36 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.05 1xa4 h GLY 125 CO 0.56 0.83 0.00 0.69 0.00 0.00 0.00 176.54 178.62 1xa4 n PHE 126 N -4.08 0.00 0.00 5.60 3.72 -1.26 -2.74 117.46 118.70 1xa4 n PHE 126 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1xa4 n PHE 126 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.02 1.44 0.06 1.37 0.00 -1.26 -4.77 105.19 102.05 1xa4 n GLY 127 Ca 0.00 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 44.02 1xa4 n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xa4 n GLN 128 N 0.26 0.27 -3.93 1.61 1.13 -1.26 -4.32 117.38 111.15 1xa4 n GLN 128 Ca 0.00 0.09 -0.09 0.00 -1.94 0.00 0.00 57.00 55.06 1xa4 n GLN 128 Cb 0.00 -1.68 -0.07 0.00 0.11 0.00 0.00 30.24 28.60 1xa4 n GLN 128 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1xa4 s TYR 129 N -3.15 0.32 0.00 1.08 -0.85 -1.26 -4.28 117.35 109.22 1xa4 s TYR 129 Ca 0.07 -0.71 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 1xa4 s TYR 129 Cb 0.14 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.41 1xa4 s TYR 129 CO 0.70 -0.65 0.00 0.41 -1.52 0.00 0.00 175.55 174.49 1xa4 n GLY 130 N -0.16 -0.33 3.97 5.49 0.00 -1.26 -4.95 105.19 107.95 1xa4 n GLY 130 Ca -0.10 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.21 4.35 0.29 2.61 -4.23 -1.26 -4.97 115.64 112.21 1xa4 s THR 131 Ca 0.00 -0.78 0.11 0.00 -1.18 0.00 0.00 61.69 59.84 1xa4 s THR 131 Cb 0.00 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.30 1xa4 s THR 131 CO 0.00 -0.28 1.66 -0.33 -0.54 0.00 0.00 174.62 175.13 1xa4 h GLU 132 N 0.77 0.00 -0.53 3.99 4.39 -2.00 -2.20 114.58 118.99 1xa4 h GLU 132 Ca -0.47 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 1xa4 h GLU 132 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1xa4 h GLU 132 CO 0.56 0.55 0.03 1.49 -1.16 0.00 0.00 179.01 180.49 1xa4 h GLU 133 N 0.00 0.88 0.00 2.33 4.81 -2.03 -3.39 114.58 117.18 1xa4 h GLU 133 Ca -0.01 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 1xa4 h GLU 133 Cb 0.99 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1xa4 h GLU 133 CO 0.07 0.86 -1.50 0.66 -0.73 0.00 0.00 179.01 178.37 1xa4 n TYR 134 N -4.21 0.00 -0.11 0.92 4.01 -1.21 -4.73 117.16 111.83 1xa4 n TYR 134 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.82 1xa4 n TYR 134 Cb 0.30 -0.35 0.38 0.00 -0.31 0.00 0.00 39.34 39.36 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 1.07 -0.62 -0.72 2.02 -1.59 -2.39 112.91 110.68 1xa4 h THR 135 Ca -0.19 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1xa4 h THR 135 Cb 1.38 0.33 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 4.35 -4.78 4.18 3.02 -1.26 -3.28 115.26 113.02 1xa4 n ASN 136 Ca 0.07 -2.32 -0.37 0.00 -0.03 0.00 0.00 54.58 51.93 1xa4 n ASN 136 Cb 0.15 -0.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1xa4 n ASN 136 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xa4 s LEU 137 N -1.60 4.20 0.30 3.41 1.43 -0.90 -4.78 118.68 120.74 1xa4 s LEU 137 Ca 0.47 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 55.38 1xa4 s LEU 137 Cb 0.29 -4.09 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 1xa4 s LEU 137 CO 0.25 -0.46 1.11 -2.16 0.23 0.00 0.00 176.35 175.32 1xa4 s PRO 138 N -2.33 4.55 0.05 1.29 0.04 -1.26 -4.64 135.00 132.69 1xa4 s PRO 138 Ca 0.56 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.44 1xa4 s PRO 138 Cb -0.24 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 1xa4 s PRO 138 CO 0.30 0.13 -0.09 0.00 0.04 0.00 0.00 177.00 177.38 1xa4 s ALA 139 N -1.22 0.73 0.34 8.56 0.00 -1.26 -5.02 121.76 123.90 1xa4 s ALA 139 Ca 0.46 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1xa4 s ALA 139 Cb -0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 1xa4 s ALA 139 CO 0.41 0.04 0.10 0.71 0.00 0.00 0.00 175.76 177.02 1xa4 s TYR 140 N -1.25 1.79 0.18 0.00 2.02 -1.26 -4.86 117.35 113.98 1xa4 s TYR 140 Ca -0.07 -1.14 -0.13 0.00 -0.37 0.00 0.00 57.07 55.35 1xa4 s TYR 140 Cb -0.09 -1.13 0.20 0.00 -0.40 0.00 0.00 41.96 40.53 1xa4 s TYR 140 CO 0.01 -0.20 1.22 -1.71 -1.57 0.00 0.00 175.55 173.29 1xa4 n ASN 141 N -0.87 -0.50 -0.13 2.29 5.15 -1.26 -1.88 115.26 118.05 1xa4 n ASN 141 Ca -0.03 1.37 -0.08 0.00 -0.60 0.00 0.00 54.58 55.24 1xa4 n ASN 141 Cb 0.66 -0.32 0.07 0.00 -0.53 0.00 0.00 39.78 39.66 1xa4 n ASN 141 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1xa4 h THR 142 N 0.00 1.27 -0.38 -0.44 1.35 -1.97 -1.62 112.91 111.12 1xa4 h THR 142 Ca 0.28 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1xa4 h THR 142 Cb 0.47 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1xa4 h THR 142 CO -0.78 0.44 0.25 0.40 -0.25 0.00 0.00 175.52 175.57 1xa4 h ILE 143 N 0.78 1.09 -0.41 6.82 5.03 -1.81 -0.71 117.51 128.31 1xa4 h ILE 143 Ca 0.12 -0.17 -0.05 0.00 -0.12 0.00 0.00 64.86 64.63 1xa4 h ILE 143 Cb 0.68 0.54 -0.02 0.00 -3.03 0.00 0.00 36.82 34.99 1xa4 h ILE 143 CO 0.05 0.09 0.03 0.00 -0.68 0.00 0.00 178.15 177.64 1xa4 h ALA 144 N 1.14 1.29 -0.33 1.87 0.00 -1.02 -0.67 119.26 121.53 1xa4 h ALA 144 Ca 0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1xa4 h ALA 144 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1xa4 h ALA 144 CO -0.03 0.49 -0.19 1.96 0.00 0.00 0.00 179.25 181.47 1xa4 h GLN 145 N 0.61 0.71 -0.41 0.00 4.20 -0.96 -2.43 115.11 116.84 1xa4 h GLN 145 Ca 0.13 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1xa4 h GLN 145 Cb 0.34 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 1xa4 h GLN 145 CO 0.01 0.93 0.16 0.00 -0.67 0.00 0.00 178.83 179.26 1xa4 h ALA 146 N 0.76 0.53 0.00 3.87 0.00 -0.80 -0.89 119.26 122.74 1xa4 h ALA 146 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xa4 h ALA 146 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xa4 h ALA 146 CO 0.05 0.14 0.00 0.35 0.00 0.00 0.00 179.25 179.79 1xa4 h PHE 147 N 0.51 0.00 -0.02 0.00 3.57 -1.09 -3.21 116.94 116.70 1xa4 h PHE 147 Ca 0.13 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1xa4 h PHE 147 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1xa4 h PHE 147 CO 0.00 0.00 -0.10 -1.13 -2.23 0.00 0.00 178.31 174.85 1xa4 n SER 148 N -2.96 2.14 -0.10 0.41 3.41 -0.92 -4.96 113.62 110.65 1xa4 n SER 148 Ca 0.04 -1.64 -0.01 0.00 -0.26 0.00 0.00 58.87 57.00 1xa4 n SER 148 Cb 0.48 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 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 1.30 0.42 0.12 5.00 0.00 -1.21 -4.35 105.19 106.46 1xa4 n GLY 149 Ca 0.15 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 0.65 -0.73 1.61 3.20 -1.68 -3.34 116.97 116.68 1xa4 h TYR 150 Ca -0.03 -0.46 0.03 0.00 3.14 0.00 0.00 58.73 61.41 1xa4 h TYR 150 Cb 0.41 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1xa4 h TYR 150 CO 0.24 1.35 0.47 1.25 -1.64 0.00 0.00 178.16 179.83 1xa4 h LEU 151 N -0.24 0.78 -2.25 2.82 6.46 -1.48 -2.43 115.31 118.96 1xa4 h LEU 151 Ca -0.16 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 1xa4 h LEU 151 Cb 1.73 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 41.49 1xa4 h LEU 151 CO 0.18 0.54 -0.01 -0.29 -0.62 0.00 0.00 178.44 178.24 1xa4 h ILE 152 N 0.92 0.03 0.00 4.05 6.09 -1.82 -1.28 117.51 125.49 1xa4 h ILE 152 Ca 0.29 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.52 1xa4 h ILE 152 Cb -0.01 1.25 0.00 0.00 0.47 0.00 0.00 36.82 38.53 1xa4 h ILE 152 CO -0.10 0.01 -0.54 0.00 -3.07 0.00 0.00 178.15 174.45 1xa4 n GLN 153 N -3.11 0.04 -3.97 2.19 6.02 -0.93 -4.82 117.38 112.81 1xa4 n GLN 153 Ca -0.01 0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 1xa4 n GLN 153 Cb 0.18 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 1xa4 n GLN 153 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xa4 s ASN 154 N -3.17 6.21 0.00 1.08 0.01 -0.49 -4.80 114.94 113.79 1xa4 s ASN 154 Ca 0.10 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 1xa4 s ASN 154 Cb 0.17 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 40.00 1xa4 s ASN 154 CO 0.71 0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.94 1xa4 n GLY 155 N -0.69 -1.85 3.98 0.66 0.00 -1.26 -4.31 105.19 101.72 1xa4 n GLY 155 Ca -0.08 -2.02 -0.20 0.00 0.00 0.00 0.00 46.02 43.72 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 5.83 0.27 1.61 -1.08 -0.35 -4.80 116.67 114.16 1xa4 s ASP 156 Ca 0.00 -0.02 -0.03 0.00 -0.52 0.00 0.00 52.55 51.98 1xa4 s ASP 156 Cb 0.00 -1.26 0.58 0.00 -1.46 0.00 0.00 42.92 40.77 1xa4 s ASP 156 CO 0.00 -0.62 1.62 0.58 0.52 0.00 0.00 175.17 177.27 1xa4 h VAL 157 N 0.62 0.23 -0.42 1.11 2.07 -1.96 -1.40 116.25 116.51 1xa4 h VAL 157 Ca -0.45 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1xa4 h VAL 157 Cb 1.26 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1xa4 h VAL 157 CO 0.54 0.02 0.00 0.47 0.02 0.00 0.00 177.57 178.61 1xa4 n ASP 158 N -5.38 3.16 -3.49 0.57 8.00 -1.26 -4.82 116.55 113.34 1xa4 n ASP 158 Ca 0.18 -1.94 -0.26 0.00 0.71 0.00 0.00 54.79 53.47 1xa4 n ASP 158 Cb 0.59 -0.28 -0.13 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.05 0.32 1.29 -1.24 2.00 -0.53 -5.23 119.66 115.22 1xa4 s GLN 159 Ca 0.31 -0.67 -0.20 0.00 -2.00 0.00 0.00 55.36 52.81 1xa4 s GLN 159 Cb 0.17 -1.09 0.32 0.00 0.80 0.00 0.00 33.01 33.21 1xa4 s GLN 159 CO 0.22 -1.07 1.01 -1.25 -0.50 0.00 0.00 175.29 173.70 1xa4 s PRO 160 N 1.87 -1.92 0.35 1.67 0.04 -1.26 -1.21 135.00 134.54 1xa4 s PRO 160 Ca 0.12 0.19 -0.20 0.00 0.04 0.00 0.00 61.00 61.15 1xa4 s PRO 160 Cb -0.17 -1.49 -0.10 0.00 0.04 0.00 0.00 34.50 32.78 1xa4 s PRO 160 CO -0.26 -4.23 0.86 -2.14 0.04 0.00 0.00 177.00 171.27 1xa4 s PRO 162 N -5.08 4.22 0.57 0.56 0.02 -1.26 -4.89 135.00 129.14 1xa4 s PRO 162 Ca 0.69 0.98 -0.19 0.00 0.02 0.00 0.00 61.00 62.50 1xa4 s PRO 162 Cb -0.14 -2.44 -0.05 0.00 0.02 0.00 0.00 34.50 31.89 1xa4 s PRO 162 CO 0.58 0.13 1.17 0.00 -0.33 0.00 0.00 177.00 178.55 1xa4 s ALA 163 N -1.95 2.61 0.01 -1.55 0.00 -1.26 -4.89 121.76 114.74 1xa4 s ALA 163 Ca 0.55 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 53.40 1xa4 s ALA 163 Cb -0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 1xa4 s ALA 163 CO 0.17 -0.98 0.06 0.12 0.00 0.00 0.00 175.76 175.13 1xa4 s PHE 164 N -1.67 0.14 -0.25 0.00 5.36 -1.26 -4.15 117.98 116.15 1xa4 s PHE 164 Ca 0.75 -0.31 -0.19 0.00 -0.96 0.00 0.00 56.93 56.22 1xa4 s PHE 164 Cb -0.27 -0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.27 1xa4 s PHE 164 CO 0.30 -0.25 0.57 -1.25 -1.46 0.00 0.00 175.22 173.14 1xa4 s PRO 165 N -1.44 4.11 -1.47 10.12 0.04 -1.26 -4.80 135.00 140.30 1xa4 s PRO 165 Ca -0.15 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.23 1xa4 s PRO 165 Cb -0.09 -3.64 0.06 0.00 0.04 0.00 0.00 34.50 30.88 1xa4 s PRO 165 CO 0.00 -0.35 0.83 0.66 0.04 0.00 0.00 177.00 178.18 1xa4 n TYR 166 N 5.52 -2.19 -0.29 0.56 4.01 -1.26 -4.86 117.16 118.65 1xa4 n TYR 166 Ca -0.02 0.75 0.11 0.00 -0.16 0.00 0.00 57.90 58.57 1xa4 n TYR 166 Cb 0.49 -3.95 0.25 0.00 -0.31 0.00 0.00 39.34 35.82 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 -1.78 0.32 0.00 -0.72 2.02 -1.87 -1.09 112.91 109.79 1xa4 h THR 167 Ca -0.54 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 1xa4 h THR 167 Cb 1.35 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1xa4 h THR 167 CO 0.61 0.03 -0.31 0.00 0.37 0.00 0.00 175.52 176.22 1xa4 h ALA 168 N 1.76 1.29 -0.53 6.16 0.00 -1.89 -2.18 119.26 123.87 1xa4 h ALA 168 Ca 0.51 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1xa4 h ALA 168 Cb 0.99 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1xa4 h ALA 168 CO -0.66 0.39 -0.00 -0.44 0.00 0.00 0.00 179.25 178.53 1xa4 h ASP 169 N 0.00 0.93 -0.11 0.00 3.32 -1.53 -1.54 116.42 117.49 1xa4 h ASP 169 Ca -0.00 -0.31 -0.21 0.00 0.02 0.00 0.00 57.03 56.53 1xa4 h ASP 169 Cb 0.63 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.93 1xa4 h ASP 169 CO 0.04 1.01 -0.71 1.88 -1.72 0.00 0.00 179.24 179.74 1xa4 h TYR 170 N 0.82 0.99 -0.74 4.55 0.05 -1.48 -1.31 116.97 119.86 1xa4 h TYR 170 Ca 0.15 -0.42 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 1xa4 h TYR 170 Cb 0.54 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 1xa4 h TYR 170 CO 0.04 1.23 0.45 0.74 -1.05 0.00 0.00 178.16 179.57 1xa4 h PHE 171 N 0.53 0.97 -0.24 4.88 0.05 -1.38 -1.34 116.94 120.40 1xa4 h PHE 171 Ca -0.03 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.68 1xa4 h PHE 171 Cb 1.33 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 38.95 1xa4 h PHE 171 CO 0.08 0.64 -0.16 0.77 -0.18 0.00 0.00 178.31 179.46 1xa4 h SER 172 N 1.00 0.56 -0.50 2.17 0.02 -1.18 -1.30 113.55 114.33 1xa4 h SER 172 Ca 0.26 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1xa4 h SER 172 Cb -0.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1xa4 h SER 172 CO -0.05 0.88 0.22 1.23 -1.14 0.00 0.00 176.83 177.97 1xa4 h GLY 173 N 0.25 0.80 1.02 -3.77 0.00 -1.20 -2.35 103.07 97.81 1xa4 h GLY 173 Ca 0.05 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1xa4 h GLY 173 CO 0.04 0.40 0.10 -2.00 0.00 0.00 0.00 176.54 175.08 1xa4 h LEU 174 N 0.67 0.91 -0.72 3.11 5.85 -1.17 -1.68 115.31 122.28 1xa4 h LEU 174 Ca 0.17 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1xa4 h LEU 174 Cb 0.17 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1xa4 h LEU 174 CO -0.02 0.94 0.44 0.74 -0.34 0.00 0.00 178.44 180.20 1xa4 h THR 175 N 0.85 1.05 -0.80 1.05 2.02 -1.18 -0.91 112.91 114.99 1xa4 h THR 175 Ca 0.18 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1xa4 h THR 175 Cb 0.41 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1xa4 h THR 175 CO 0.01 0.15 0.52 0.00 0.37 0.00 0.00 175.52 176.57 1xa4 h ALA 176 N 1.33 1.05 -0.30 6.16 0.00 -0.86 0.38 119.26 127.03 1xa4 h ALA 176 Ca 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1xa4 h ALA 176 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xa4 h ALA 176 CO -0.14 0.35 0.13 1.15 0.00 0.00 0.00 179.25 180.74 1xa4 h THR 177 N 1.01 1.16 0.11 0.00 2.02 -0.76 -0.42 112.91 116.04 1xa4 h THR 177 Ca 0.32 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1xa4 h THR 177 Cb -0.01 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1xa4 h THR 177 CO -0.10 0.17 -0.14 0.74 0.37 0.00 0.00 175.52 176.55 1xa4 h THR 178 N 0.34 0.67 -0.57 3.16 2.02 -0.88 -1.40 112.91 116.25 1xa4 h THR 178 Ca 0.10 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 1xa4 h THR 178 Cb 0.15 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1xa4 h THR 178 CO -0.01 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.89 1xa4 h ALA 179 N 0.56 0.95 -0.64 6.16 0.00 -0.84 -1.39 119.26 124.06 1xa4 h ALA 179 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1xa4 h ALA 179 Cb 0.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xa4 h ALA 179 CO -0.06 0.64 0.20 0.00 0.00 0.00 0.00 179.25 180.02 1xa4 h ALA 180 N 1.10 0.84 -0.67 0.00 0.00 -0.97 0.17 119.26 119.73 1xa4 h ALA 180 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1xa4 h ALA 180 Cb 0.51 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1xa4 h ALA 180 CO 0.02 0.51 0.21 -0.07 0.00 0.00 0.00 179.25 179.93 1xa4 h LEU 181 N 0.92 0.98 -0.51 0.00 3.38 -1.00 -0.42 115.31 118.67 1xa4 h LEU 181 Ca 0.21 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1xa4 h LEU 181 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xa4 h LEU 181 CO -0.01 0.93 0.07 0.00 0.09 0.00 0.00 178.44 179.53 1xa4 h ALA 182 N 1.09 0.67 -0.89 1.53 0.00 -0.89 -1.57 119.26 119.21 1xa4 h ALA 182 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xa4 h ALA 182 Cb 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1xa4 h ALA 182 CO -0.01 0.42 0.53 0.00 0.00 0.00 0.00 179.25 180.19 1xa4 h ALA 183 N 0.97 1.13 -0.83 0.00 0.00 -0.80 -2.63 119.26 117.11 1xa4 h ALA 183 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xa4 h ALA 183 Cb 0.41 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1xa4 h ALA 183 CO 0.01 0.60 0.55 1.25 0.00 0.00 0.00 179.25 181.66 1xa4 h LEU 184 N 1.23 0.95 -0.73 0.00 5.85 -0.68 -1.92 115.31 120.01 1xa4 h LEU 184 Ca 0.32 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.12 1xa4 h LEU 184 Cb -0.04 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.68 1xa4 h LEU 184 CO -0.06 0.69 0.34 -0.74 -0.34 0.00 0.00 178.44 178.33 1xa4 h HIS 185 N 1.12 0.60 -0.02 1.25 2.76 -0.93 -2.33 115.15 117.60 1xa4 h HIS 185 Ca 0.30 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.38 1xa4 h HIS 185 Cb -0.13 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 1xa4 h HIS 185 CO -0.01 0.18 -0.58 -0.22 -1.30 0.00 0.00 177.93 175.99 1xa4 h LYS 186 N 0.55 0.07 -0.66 5.26 1.63 -1.17 -2.94 116.57 119.32 1xa4 h LYS 186 Ca 0.37 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1xa4 h LYS 186 Cb 0.46 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 1xa4 h LYS 186 CO -0.31 0.63 0.40 0.28 -3.45 0.00 0.00 179.45 177.00 1xa4 h VAL 187 N 0.06 1.18 -0.86 2.00 2.07 -0.85 -1.98 116.25 117.87 1xa4 h VAL 187 Ca -0.00 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.19 1xa4 h VAL 187 Cb 1.04 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1xa4 h VAL 187 CO 0.08 0.19 0.56 0.03 0.02 0.00 0.00 177.57 178.45 1xa4 h ARG 188 N 0.90 0.91 0.01 1.57 2.47 -1.34 -0.80 114.38 118.11 1xa4 h ARG 188 Ca 0.24 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1xa4 h ARG 188 Cb -0.04 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.07 1xa4 h ARG 188 CO -0.05 0.60 -0.00 0.93 0.56 0.00 0.00 179.97 182.01 1xa4 h GLU 189 N 0.94 -0.01 0.00 0.04 3.07 -1.52 -3.40 114.58 113.70 1xa4 h GLU 189 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1xa4 h GLU 189 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1xa4 h GLU 189 CO -0.14 0.83 -0.61 0.25 -1.40 0.00 0.00 179.01 177.94 1xa4 n THR 190 N -4.67 0.02 -1.41 1.13 -2.24 -0.80 -4.94 114.28 101.38 1xa4 n THR 190 Ca -0.09 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 1xa4 n THR 190 Cb 0.41 0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.49 1.40 3.25 3.38 0.00 -0.31 -4.98 105.19 109.41 1xa4 n GLY 191 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1xa4 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xa4 s LYS 192 N -3.21 2.10 0.03 1.61 1.02 -1.26 -4.51 119.74 115.53 1xa4 s LYS 192 Ca 0.00 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.15 1xa4 s LYS 192 Cb 0.00 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.40 1xa4 s LYS 192 CO 0.00 0.43 0.03 0.41 -0.92 0.00 0.00 175.35 175.30 1xa4 n GLY 193 N 2.73 -2.28 3.39 -3.33 0.00 -0.15 -4.37 105.19 101.18 1xa4 n GLY 193 Ca -0.17 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.06 0.97 -0.07 1.61 2.56 -0.71 -4.96 118.70 115.04 1xa4 s GLU 194 Ca 0.02 -0.13 0.06 0.00 0.00 0.00 0.00 54.97 54.91 1xa4 s GLU 194 Cb -0.00 0.44 -0.01 0.00 2.00 0.00 0.00 34.13 36.56 1xa4 s GLU 194 CO 0.01 -0.33 -0.24 0.45 -0.56 0.00 0.00 175.26 174.60 1xa4 s SER 195 N -1.69 3.14 -0.10 -1.70 0.15 -1.26 -0.33 113.70 111.91 1xa4 s SER 195 Ca -0.08 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.08 1xa4 s SER 195 Cb -0.01 -0.95 0.02 0.00 -1.71 0.00 0.00 66.02 63.37 1xa4 s SER 195 CO 0.02 0.23 -0.13 -0.63 1.20 0.00 0.00 173.24 173.94 1xa4 s ILE 196 N -0.09 1.30 -0.50 6.45 1.01 -0.03 -4.98 121.20 124.36 1xa4 s ILE 196 Ca -0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 1xa4 s ILE 196 Cb -0.14 -1.22 0.13 0.00 0.01 0.00 0.00 42.46 41.24 1xa4 s ILE 196 CO 0.04 0.40 0.36 -0.62 0.00 0.00 0.00 174.94 175.13 1xa4 s ASP 197 N 1.09 5.63 -0.41 3.58 2.15 -1.26 -0.53 116.67 126.91 1xa4 s ASP 197 Ca -0.06 -2.11 -0.13 0.00 0.43 0.00 0.00 52.55 50.69 1xa4 s ASP 197 Cb -0.14 -1.97 0.04 0.00 -0.30 0.00 0.00 42.92 40.54 1xa4 s ASP 197 CO -0.02 -0.62 0.28 -0.63 -0.17 0.00 0.00 175.17 174.01 1xa4 s ILE 198 N 1.06 4.94 0.00 4.11 1.09 -0.15 -4.95 121.20 127.30 1xa4 s ILE 198 Ca 0.08 -0.87 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 1xa4 s ILE 198 Cb -0.24 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.35 1xa4 s ILE 198 CO -0.02 -0.35 0.00 0.00 -0.10 0.00 0.00 174.94 174.47 1xa4 n ALA 199 N 5.09 0.00 0.00 9.38 0.00 -1.26 -1.60 120.51 132.12 1xa4 n ALA 199 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xa4 n ALA 199 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 0.00 -0.01 0.00 0.18 -1.11 -2.19 117.16 114.03 1xa4 n TYR 201 Ca 0.00 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.62 1xa4 n TYR 201 Cb 0.00 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 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 0.73 0.00 -3.48 5.08 -1.94 0.68 114.58 115.65 1xa4 h GLU 202 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1xa4 h GLU 202 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xa4 h GLU 202 CO 0.00 1.19 0.00 0.28 -1.00 0.00 0.00 179.01 179.48 1xa4 n VAL 203 N -3.93 0.00 0.00 3.13 0.31 -0.93 -2.27 118.33 114.64 1xa4 n VAL 203 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1xa4 n VAL 203 Cb 0.73 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 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 -0.27 0.00 -1.57 7.52 7.94 0.23 -4.80 117.00 126.05 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 0.30 -1.14 -1.11 0.00 0.00 177.39 175.44 1xa4 n ARG 206 N 0.00 0.35 -0.15 1.96 3.00 -0.96 -3.72 116.66 117.14 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 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.14 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 1.51 0.00 0.07 5.14 0.00 -1.26 -4.79 105.19 105.85 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 1.46 0.00 0.00 0.00 173.32 174.78 1xa4 h GLN 209 N 0.00 0.00 -0.62 1.61 1.08 -1.99 -3.41 115.11 111.79 1xa4 h GLN 209 Ca 0.00 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.33 1xa4 h GLN 209 Cb 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.32 1xa4 h GLN 209 CO 0.00 0.00 -0.04 -0.92 -0.95 0.00 0.00 178.83 176.92 1xa4 h TYR 210 N 0.00 -0.11 -3.41 2.96 3.20 -1.94 -3.43 116.97 114.24 1xa4 h TYR 210 Ca 0.00 0.05 -0.73 0.00 3.14 0.00 0.00 58.73 61.19 1xa4 h TYR 210 Cb 0.77 0.15 -0.22 0.00 1.54 0.00 0.00 36.73 38.96 1xa4 h TYR 210 CO 0.00 -0.19 -0.39 -0.06 -1.64 0.00 0.00 178.16 175.88 1xa4 s PHE 211 N -6.17 3.25 0.00 -3.82 0.08 -1.26 -5.08 117.98 104.98 1xa4 s PHE 211 Ca -0.14 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 56.07 1xa4 s PHE 211 Cb 0.19 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.76 1xa4 s PHE 211 CO 0.74 -0.71 0.00 -0.25 -0.10 0.00 0.00 175.22 174.89 1xa4 n ASP 214 N 5.15 0.00 -0.11 1.36 8.00 -1.26 -4.71 116.55 124.98 1xa4 n ASP 214 Ca -0.12 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.31 1xa4 n ASP 214 Cb 0.45 0.00 0.00 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 0.40 0.00 1.24 3.20 -1.73 0.27 116.97 120.35 1xa4 h TYR 215 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1xa4 h TYR 215 Cb 0.00 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1xa4 h TYR 215 CO 0.00 0.23 0.00 0.74 -1.64 0.00 0.00 178.16 177.49 1xa4 h PHE 216 N 0.43 0.00 -0.53 -3.82 0.04 -1.89 -3.20 116.94 107.97 1xa4 h PHE 216 Ca 0.14 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.52 1xa4 h PHE 216 Cb 0.00 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 37.80 1xa4 h PHE 216 CO -0.07 0.00 -0.82 0.09 -0.60 0.00 0.00 178.31 176.90 1xa4 n ASN 217 N -2.73 3.64 0.00 2.17 3.02 -1.02 -4.97 115.26 115.38 1xa4 n ASN 217 Ca 0.01 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.14 1xa4 n ASN 217 Cb 0.23 -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 -0.71 2.50 0.00 7.41 0.00 -1.15 -4.96 105.19 108.29 1xa4 n GLY 218 Ca 0.32 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -1.62 0.00 -0.02 0.00 0.93 -4.96 105.19 99.51 1xa4 n GLY 219 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.43 0.53 -4.61 1.61 1.02 -1.26 -4.22 120.64 113.29 1xa4 n GLU 220 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1xa4 n GLU 220 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1xa4 n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xa4 s PRO 223 N -1.65 0.32 0.00 0.00 0.04 -1.26 -5.04 135.00 127.41 1xa4 s PRO 223 Ca 0.14 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1xa4 s PRO 223 Cb -0.10 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1xa4 s PRO 223 CO 0.05 -2.69 0.00 0.54 0.04 0.00 0.00 177.00 174.94 1xa4 n ARG 224 N -4.05 0.00 -3.48 4.56 1.74 -1.26 -4.75 116.66 109.41 1xa4 n ARG 224 Ca 0.11 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.03 1xa4 n ARG 224 Cb 0.59 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.91 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 -1.03 1.04 -1.62 0.55 0.15 -1.19 -4.48 113.70 107.12 1xa4 s SER 226 Ca 0.00 -0.05 -0.15 0.00 0.70 0.00 0.00 55.95 56.45 1xa4 s SER 226 Cb 0.00 0.56 0.12 0.00 -1.71 0.00 0.00 66.02 64.99 1xa4 s SER 226 CO 0.00 -0.31 0.81 0.29 1.20 0.00 0.00 173.24 175.23 1xa4 n LYS 227 N 5.33 -3.92 -0.93 5.44 5.02 -1.26 -1.59 118.16 126.25 1xa4 n LYS 227 Ca -0.05 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1xa4 n LYS 227 Cb 0.50 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 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 -1.55 0.74 3.77 0.72 0.00 -1.26 -4.70 105.19 102.91 1xa4 n GLY 228 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.07 4.46 0.23 1.61 1.02 -0.62 -1.71 119.74 124.66 1xa4 s LYS 229 Ca 0.00 1.02 -0.31 0.00 0.02 0.00 0.00 55.97 56.70 1xa4 s LYS 229 Cb 0.00 -3.30 -0.14 0.00 -0.52 0.00 0.00 37.83 33.88 1xa4 s LYS 229 CO 0.00 0.48 1.40 -3.47 -0.92 0.00 0.00 175.35 172.84 1xa4 n ASP 230 N 2.08 2.68 0.27 2.83 2.03 -0.41 -3.16 116.55 122.87 1xa4 n ASP 230 Ca -0.06 1.14 0.16 0.00 0.52 0.00 0.00 54.79 56.56 1xa4 n ASP 230 Cb 0.50 -1.42 0.70 0.00 -0.72 0.00 0.00 41.12 40.18 1xa4 n ASP 230 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xa4 h PRO 231 N 4.20 0.00 0.00 -0.67 0.13 -1.85 -3.34 132.00 130.47 1xa4 h PRO 231 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1xa4 h PRO 231 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1xa4 h PRO 231 CO 0.76 0.04 -1.30 0.98 -0.23 0.00 0.00 178.00 178.24 1xa4 n TYR 232 N -3.16 0.00 -4.10 1.56 9.36 -1.26 -4.66 117.16 114.90 1xa4 n TYR 232 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 1xa4 n TYR 232 Cb 0.30 -0.21 -0.16 0.00 -0.63 0.00 0.00 39.34 38.64 1xa4 n TYR 232 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1xa4 s TYR 233 N -2.11 2.81 0.53 2.98 2.02 -1.25 -1.19 117.35 121.14 1xa4 s TYR 233 Ca -0.03 -1.51 -0.20 0.00 -0.37 0.00 0.00 57.07 54.97 1xa4 s TYR 233 Cb 0.01 -1.95 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 1xa4 s TYR 233 CO 0.17 -0.75 1.12 0.00 -1.57 0.00 0.00 175.55 174.51 1xa4 s ALA 234 N 1.30 2.75 -0.29 3.71 0.00 -0.22 -3.27 121.76 125.74 1xa4 s ALA 234 Ca 0.05 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1xa4 s ALA 234 Cb -0.13 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1xa4 s ALA 234 CO -0.11 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1xa4 n GLY 235 N 0.11 0.57 3.08 0.00 0.00 -1.26 -4.58 105.19 103.11 1xa4 n GLY 235 Ca 0.11 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 4.10 0.18 3.77 0.00 0.00 -1.26 -1.29 105.19 110.69 1xa4 n GLY 237 Ca -0.19 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 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 4.37 0.05 0.99 2.96 -0.70 -4.22 118.68 122.13 1xa4 s LEU 238 Ca 0.00 0.88 0.01 0.00 -0.22 0.00 0.00 54.13 54.79 1xa4 s LEU 238 Cb 0.00 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.02 1xa4 s LEU 238 CO 0.00 0.16 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.83 1xa4 s TYR 239 N -0.18 0.55 -0.24 5.38 2.02 0.20 -4.46 117.35 120.62 1xa4 s TYR 239 Ca 0.24 -0.70 -0.10 0.00 -0.37 0.00 0.00 57.07 56.14 1xa4 s TYR 239 Cb -0.16 -0.35 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1xa4 s TYR 239 CO 0.11 -0.19 0.15 0.21 -1.57 0.00 0.00 175.55 174.26 1xa4 s LYS 240 N -2.43 4.04 0.55 -0.62 2.20 -1.26 -1.20 119.74 121.01 1xa4 s LYS 240 Ca -0.04 -0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1xa4 s LYS 240 Cb -0.04 -3.50 0.10 0.00 -1.51 0.00 0.00 37.83 32.89 1xa4 s LYS 240 CO -0.03 0.06 0.75 0.00 -0.36 0.00 0.00 175.35 175.78 1xa4 h ALA 242 N -0.32 1.22 0.00 0.00 0.00 -0.89 -3.27 119.26 116.00 1xa4 h ALA 242 Ca -0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xa4 h ALA 242 Cb 1.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xa4 h ALA 242 CO 0.30 0.31 -0.19 -0.40 0.00 0.00 0.00 179.25 179.26 1xa4 n ASP 243 N -4.60 2.04 0.00 0.00 5.75 -1.26 -5.03 116.55 113.46 1xa4 n ASP 243 Ca 0.13 -3.29 0.00 0.00 -0.01 0.00 0.00 54.79 51.62 1xa4 n ASP 243 Cb 0.18 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.26 -1.45 3.90 6.12 0.00 -1.23 -4.91 105.19 106.36 1xa4 n GLY 244 Ca 0.16 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.58 3.56 0.20 1.61 2.02 -1.26 0.15 117.35 121.05 1xa4 s TYR 245 Ca 0.00 0.46 0.06 0.00 -0.37 0.00 0.00 57.07 57.21 1xa4 s TYR 245 Cb 0.00 -1.90 -0.05 0.00 -0.40 0.00 0.00 41.96 39.61 1xa4 s TYR 245 CO 0.00 0.62 -0.09 0.96 -1.57 0.00 0.00 175.55 175.47 1xa4 s ILE 246 N -1.32 1.40 0.55 2.71 -4.36 -0.34 -1.68 121.20 118.15 1xa4 s ILE 246 Ca 0.28 -2.12 0.05 0.00 -0.26 0.00 0.00 60.65 58.60 1xa4 s ILE 246 Cb -0.13 -2.09 0.04 0.00 1.25 0.00 0.00 42.46 41.54 1xa4 s ILE 246 CO 0.18 -0.56 0.38 0.68 0.24 0.00 0.00 174.94 175.86 1xa4 s VAL 247 N -3.18 1.54 -0.29 8.37 -7.23 -0.31 -0.63 120.40 118.67 1xa4 s VAL 247 Ca 0.23 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 1xa4 s VAL 247 Cb 0.02 -2.08 0.20 0.00 0.56 0.00 0.00 36.38 35.08 1xa4 s VAL 247 CO 0.06 0.00 0.66 -1.61 -0.31 0.00 0.00 175.10 173.90 1xa4 s GLU 249 N -4.27 0.49 -0.96 4.82 0.41 -0.47 -1.77 118.70 116.95 1xa4 s GLU 249 Ca 0.31 0.51 -0.22 0.00 -0.41 0.00 0.00 54.97 55.16 1xa4 s GLU 249 Cb -0.02 0.24 0.08 0.00 -1.78 0.00 0.00 34.13 32.65 1xa4 s GLU 249 CO 0.19 -0.90 1.31 -1.17 -0.49 0.00 0.00 175.26 174.20 1xa4 s LEU 250 N 2.85 4.08 -0.05 1.80 2.96 -0.53 -4.07 118.68 125.72 1xa4 s LEU 250 Ca 0.13 -1.61 0.01 0.00 -0.22 0.00 0.00 54.13 52.44 1xa4 s LEU 250 Cb -0.09 -2.50 0.02 0.00 0.50 0.00 0.00 46.19 44.12 1xa4 s LEU 250 CO -0.25 -1.36 -0.04 -0.69 -1.32 0.00 0.00 176.35 172.69 1xa4 s VAL 251 N 4.14 0.56 0.00 1.68 1.01 -1.26 -4.63 120.40 121.89 1xa4 s VAL 251 Ca 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1xa4 s VAL 251 Cb -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1xa4 s VAL 251 CO -0.08 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1xa4 n GLY 252 N 4.24 3.40 0.35 4.51 0.00 0.85 -4.68 105.19 113.86 1xa4 n GLY 252 Ca -0.22 -1.79 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 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 0.13 0.37 -0.30 -0.61 2.04 -1.81 -1.90 117.51 115.44 1xa4 h ILE 253 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1xa4 h ILE 253 Cb 0.00 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1xa4 h ILE 253 CO 0.00 0.00 -0.23 0.74 0.00 0.00 0.00 178.15 178.66 1xa4 h THR 254 N -0.86 1.27 -0.11 -0.27 2.02 -1.92 -2.46 112.91 110.57 1xa4 h THR 254 Ca -0.09 -1.28 0.02 0.00 0.77 0.00 0.00 66.41 65.83 1xa4 h THR 254 Cb 0.66 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1xa4 h THR 254 CO 0.14 0.41 -0.00 1.56 0.37 0.00 0.00 175.52 178.01 1xa4 h GLN 255 N 0.51 0.03 -0.45 6.66 7.50 -1.77 -0.07 115.11 127.53 1xa4 h GLN 255 Ca 0.07 -0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.18 1xa4 h GLN 255 Cb 0.68 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.18 1xa4 h GLN 255 CO 0.05 0.02 0.12 0.82 -1.50 0.00 0.00 178.83 178.35 1xa4 h ILE 256 N 0.04 1.23 -0.49 2.54 2.04 -1.22 -1.40 117.51 120.25 1xa4 h ILE 256 Ca 0.05 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1xa4 h ILE 256 Cb 0.06 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1xa4 h ILE 256 CO -0.09 0.28 0.15 -0.33 0.00 0.00 0.00 178.15 178.15 1xa4 h GLU 257 N 0.59 0.76 -0.31 2.37 5.08 -1.18 -1.02 114.58 120.88 1xa4 h GLU 257 Ca 0.14 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 1xa4 h GLU 257 Cb 0.30 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xa4 h GLU 257 CO -0.00 0.72 -0.51 0.93 -1.00 0.00 0.00 179.01 179.15 1xa4 h GLU 258 N 0.66 0.89 -0.20 2.33 4.39 -0.95 -1.69 114.58 120.01 1xa4 h GLU 258 Ca 0.16 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1xa4 h GLU 258 Cb 0.28 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1xa4 h GLU 258 CO -0.00 1.19 0.09 0.00 -1.16 0.00 0.00 179.01 179.13 1xa4 h PHE 260 N 0.19 1.09 -0.02 0.00 -1.00 -1.15 -1.15 116.94 114.89 1xa4 h PHE 260 Ca 0.07 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.88 1xa4 h PHE 260 Cb 0.12 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 1xa4 h PHE 260 CO -0.02 0.67 -0.01 0.87 -1.61 0.00 0.00 178.31 178.20 1xa4 h LYS 261 N 1.16 -0.01 -0.63 1.51 1.57 -0.98 0.11 116.57 119.30 1xa4 h LYS 261 Ca 0.33 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 1xa4 h LYS 261 Cb -0.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1xa4 h LYS 261 CO -0.08 -0.01 0.39 -0.44 -0.57 0.00 0.00 179.45 178.74 1xa4 h ASP 262 N -0.01 0.63 0.21 0.86 3.32 -0.53 -3.08 116.42 117.80 1xa4 h ASP 262 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xa4 h ASP 262 Cb 0.03 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1xa4 h ASP 262 CO -0.03 0.44 -0.20 2.30 -1.72 0.00 0.00 179.24 180.03 1xa4 n ILE 263 N -4.72 0.00 -1.08 0.35 -5.35 -0.50 -4.93 119.36 103.12 1xa4 n ILE 263 Ca 0.06 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1xa4 n ILE 263 Cb 0.08 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 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 1.30 1.10 0.53 3.28 0.00 -0.87 -4.84 105.19 105.70 1xa4 n GLY 264 Ca 0.14 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.11 1.74 -0.21 0.99 4.77 0.32 -4.80 117.00 119.71 1xa4 n LEU 265 Ca 0.00 -2.71 0.26 0.00 -0.03 0.00 0.00 56.01 53.54 1xa4 n LEU 265 Cb 0.24 -0.30 0.66 0.00 -2.33 0.00 0.00 43.42 41.70 1xa4 n LEU 265 CO 0.00 0.77 1.25 0.00 -1.33 0.00 0.00 177.39 178.09 1xa4 h ALA 266 N 0.43 2.68 0.00 -1.18 0.00 -1.79 -2.17 119.26 117.24 1xa4 h ALA 266 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xa4 h ALA 266 Cb 1.23 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xa4 h ALA 266 CO 0.02 -0.95 0.00 -2.39 0.00 0.00 0.00 179.25 175.92 1xa4 n HIS 267 N -4.34 0.26 0.60 0.00 1.44 -1.26 -1.61 115.22 110.30 1xa4 n HIS 267 Ca 0.19 0.10 0.13 0.00 -2.01 0.00 0.00 57.72 56.13 1xa4 n HIS 267 Cb 0.91 -0.66 0.32 0.00 0.12 0.00 0.00 29.99 30.69 1xa4 n HIS 267 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xa4 n LEU 268 N -1.73 0.79 -4.75 2.39 4.77 -0.81 -4.88 117.00 112.77 1xa4 n LEU 268 Ca 0.03 0.46 -0.40 0.00 -0.03 0.00 0.00 56.01 56.07 1xa4 n LEU 268 Cb 0.21 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 1xa4 n LEU 268 CO 0.17 -0.14 0.72 -0.76 -1.33 0.00 0.00 177.39 176.05 1xa4 s LEU 269 N -4.46 4.59 -0.78 2.23 1.43 -0.63 -3.55 118.68 117.50 1xa4 s LEU 269 Ca 0.09 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1xa4 s LEU 269 Cb 0.13 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1xa4 s LEU 269 CO 0.64 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.82 1xa4 n GLY 270 N 1.50 0.05 3.82 -3.19 0.00 -0.77 -4.99 105.19 101.60 1xa4 n GLY 270 Ca -0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.44 3.26 0.41 2.61 -4.23 -1.09 -4.81 115.64 109.35 1xa4 s THR 271 Ca 0.00 -1.47 0.13 0.00 -1.18 0.00 0.00 61.69 59.17 1xa4 s THR 271 Cb 0.00 -3.10 0.33 0.00 1.34 0.00 0.00 72.50 71.07 1xa4 s THR 271 CO 0.00 -0.15 1.94 -0.65 -0.54 0.00 0.00 174.62 175.22 1xa4 h PRO 272 N 1.31 0.48 -0.18 3.99 0.11 -1.96 -1.54 132.00 134.21 1xa4 h PRO 272 Ca -0.44 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 1xa4 h PRO 272 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xa4 h PRO 272 CO 0.60 0.32 -0.68 0.93 -0.21 0.00 0.00 178.00 178.96 1xa4 h GLU 273 N 0.50 0.73 -2.51 1.05 3.07 -1.96 -3.37 114.58 112.09 1xa4 h GLU 273 Ca 0.34 -0.54 -0.60 0.00 -0.50 0.00 0.00 59.36 58.06 1xa4 h GLU 273 Cb 0.63 0.09 -0.40 0.00 -0.84 0.00 0.00 28.75 28.24 1xa4 h GLU 273 CO -0.11 1.16 -0.82 -0.89 -1.40 0.00 0.00 179.01 176.94 1xa4 n ILE 274 N -3.94 0.20 -1.07 3.13 5.41 -0.90 -5.00 119.36 117.18 1xa4 n ILE 274 Ca -0.06 -4.19 -0.30 0.00 1.00 0.00 0.00 62.75 59.20 1xa4 n ILE 274 Cb 0.69 -1.92 0.14 0.00 -0.71 0.00 0.00 39.64 37.84 1xa4 n ILE 274 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xa4 s PRO 275 N -0.92 1.29 0.29 0.38 0.04 -0.63 -1.85 135.00 133.60 1xa4 s PRO 275 Ca 0.32 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 1xa4 s PRO 275 Cb 0.05 -1.80 -0.13 0.00 0.04 0.00 0.00 34.50 32.66 1xa4 s PRO 275 CO -0.15 -2.28 1.31 -1.91 0.04 0.00 0.00 177.00 174.01 1xa4 n GLU 276 N -3.94 2.02 -0.98 4.56 2.13 -1.26 -2.21 120.64 120.96 1xa4 n GLU 276 Ca 0.08 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1xa4 n GLU 276 Cb 0.54 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1xa4 n GLU 276 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xa4 n GLY 277 N 1.40 0.54 3.72 8.31 0.00 -1.26 -5.03 105.19 112.86 1xa4 n GLY 277 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1xa4 n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xa4 s THR 278 N -2.10 2.38 -0.47 2.61 2.01 -0.94 -4.86 115.64 114.27 1xa4 s THR 278 Ca 0.00 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1xa4 s THR 278 Cb 0.00 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.38 1xa4 s THR 278 CO 0.00 0.02 0.54 0.00 -0.69 0.00 0.00 174.62 174.49 1xa4 n GLN 279 N 4.17 0.86 -3.59 4.92 10.64 -1.26 -4.00 117.38 129.12 1xa4 n GLN 279 Ca 0.15 -0.60 -0.02 0.00 -1.83 0.00 0.00 57.00 54.70 1xa4 n GLN 279 Cb 0.37 -1.00 -0.05 0.00 -0.86 0.00 0.00 30.24 28.70 1xa4 n GLN 279 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1xa4 s LEU 280 N -0.73 -0.91 -0.27 2.61 2.96 -1.26 -0.10 118.68 120.97 1xa4 s LEU 280 Ca 0.04 1.31 -0.19 0.00 -0.22 0.00 0.00 54.13 55.08 1xa4 s LEU 280 Cb 0.03 2.13 -0.02 0.00 0.50 0.00 0.00 46.19 48.83 1xa4 s LEU 280 CO 0.08 -0.19 0.56 -0.63 -1.32 0.00 0.00 176.35 174.84 1xa4 s ILE 281 N 2.35 5.03 -0.48 6.68 1.01 -1.26 -5.02 121.20 129.50 1xa4 s ILE 281 Ca -0.06 0.90 -0.27 0.00 0.00 0.00 0.00 60.65 61.22 1xa4 s ILE 281 Cb -0.08 -3.89 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1xa4 s ILE 281 CO -0.18 0.02 1.02 -1.00 0.00 0.00 0.00 174.94 174.80 1xa4 s HIS 282 N 2.40 2.85 0.27 3.97 3.76 -1.26 -1.06 115.29 126.22 1xa4 s HIS 282 Ca 0.23 0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.65 1xa4 s HIS 282 Cb -0.15 -4.19 0.36 0.00 1.11 0.00 0.00 32.58 29.70 1xa4 s HIS 282 CO 0.10 -1.22 1.66 0.07 -0.85 0.00 0.00 174.74 174.50 1xa4 h ARG 283 N 9.19 0.37 0.70 1.40 0.11 -1.48 -2.65 114.38 122.02 1xa4 h ARG 283 Ca -0.24 -0.18 -0.03 0.00 0.10 0.00 0.00 59.98 59.63 1xa4 h ARG 283 Cb 1.07 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.15 1xa4 h ARG 283 CO 1.08 0.72 -0.33 0.82 0.10 0.00 0.00 179.97 182.35 1xa4 h ILE 284 N 0.31 0.22 -0.35 0.08 1.08 -1.83 -3.07 117.51 113.95 1xa4 h ILE 284 Ca 0.03 -0.19 0.10 0.00 -0.39 0.00 0.00 64.86 64.41 1xa4 h ILE 284 Cb 0.85 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1xa4 h ILE 284 CO 0.07 0.02 0.29 -0.33 -0.69 0.00 0.00 178.15 177.50 1xa4 h GLU 285 N -1.08 0.00 -5.01 2.37 5.08 -1.93 -3.44 114.58 110.57 1xa4 h GLU 285 Ca -0.10 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.62 1xa4 h GLU 285 Cb 0.75 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.83 1xa4 h GLU 285 CO 0.16 0.00 -0.31 0.00 -1.00 0.00 0.00 179.01 177.86 1xa4 n PRO 287 N 5.30 0.19 -0.05 0.00 -0.04 -1.26 -2.07 135.00 137.07 1xa4 n PRO 287 Ca -0.10 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1xa4 n PRO 287 Cb 0.50 -1.87 0.37 0.00 -0.04 0.00 0.00 33.50 32.47 1xa4 n PRO 287 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xa4 n TYR 288 N -2.22 0.13 -0.14 0.54 4.01 -1.26 -4.57 117.16 113.66 1xa4 n TYR 288 Ca 0.02 -0.07 -0.13 0.00 -0.16 0.00 0.00 57.90 57.57 1xa4 n TYR 288 Cb 0.22 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.16 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 4.85 -0.88 0.99 2.72 0.00 -1.69 -0.20 103.07 108.85 1xa4 h GLY 289 Ca 0.00 0.67 0.05 0.00 0.00 0.00 0.00 47.33 48.05 1xa4 h GLY 289 CO 0.00 -0.14 0.55 -2.55 0.00 0.00 0.00 176.54 174.40 1xa4 h PRO 290 N -0.38 0.94 -0.50 4.80 0.11 -1.83 -2.21 132.00 132.94 1xa4 h PRO 290 Ca 0.09 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 1xa4 h PRO 290 Cb 0.60 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1xa4 h PRO 290 CO -0.60 0.62 -0.12 1.25 -0.21 0.00 0.00 178.00 178.95 1xa4 h LEU 291 N 0.97 0.93 -0.42 2.35 5.85 -1.63 -1.15 115.31 122.21 1xa4 h LEU 291 Ca 0.35 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1xa4 h LEU 291 Cb 0.14 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1xa4 h LEU 291 CO -0.12 1.06 0.23 0.58 -0.34 0.00 0.00 178.44 179.86 1xa4 h VAL 292 N 0.83 1.15 -0.60 1.05 2.07 -0.65 -1.37 116.25 118.75 1xa4 h VAL 292 Ca 0.13 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 1xa4 h VAL 292 Cb 0.66 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1xa4 h VAL 292 CO 0.05 0.16 -0.03 -0.33 0.02 0.00 0.00 177.57 177.44 1xa4 h GLU 293 N 0.55 1.07 -0.38 1.57 4.39 -1.24 0.08 114.58 120.62 1xa4 h GLU 293 Ca 0.15 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.52 1xa4 h GLU 293 Cb 0.05 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1xa4 h GLU 293 CO -0.02 1.06 0.19 1.49 -1.16 0.00 0.00 179.01 180.56 1xa4 h GLU 294 N 0.97 0.38 -0.01 2.33 4.81 -0.91 0.14 114.58 122.29 1xa4 h GLU 294 Ca 0.17 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.17 1xa4 h GLU 294 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1xa4 h GLU 294 CO 0.04 0.25 -0.86 0.87 -0.73 0.00 0.00 179.01 178.57 1xa4 h LYS 295 N 0.39 0.27 0.28 1.92 1.79 -1.11 -1.42 116.57 118.69 1xa4 h LYS 295 Ca 0.16 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1xa4 h LYS 295 Cb 0.06 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1xa4 h LYS 295 CO -0.11 0.98 -0.13 1.25 -1.08 0.00 0.00 179.45 180.36 1xa4 h LEU 296 N 0.16 -0.32 -0.68 2.94 5.85 -0.87 -1.96 115.31 120.44 1xa4 h LEU 296 Ca -0.05 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1xa4 h LEU 296 Cb 1.48 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.51 1xa4 h LEU 296 CO 0.14 -0.09 0.26 0.44 -0.34 0.00 0.00 178.44 178.84 1xa4 h ASP 297 N -0.53 0.24 -0.62 1.25 3.32 -0.92 -1.53 116.42 117.63 1xa4 h ASP 297 Ca -0.04 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1xa4 h ASP 297 Cb 0.39 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1xa4 h ASP 297 CO 0.06 0.12 0.21 0.00 -1.72 0.00 0.00 179.24 177.91 1xa4 h ALA 298 N 1.48 0.82 -0.21 3.45 0.00 -1.18 -0.79 119.26 122.83 1xa4 h ALA 298 Ca 0.35 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1xa4 h ALA 298 Cb 0.48 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xa4 h ALA 298 CO -0.35 0.48 -0.14 2.35 0.00 0.00 0.00 179.25 181.58 1xa4 h TRP 299 N 0.89 0.54 -0.29 0.00 7.01 -1.00 -3.12 115.95 119.99 1xa4 h TRP 299 Ca 0.20 -0.15 -0.09 0.00 2.11 0.00 0.00 58.89 60.97 1xa4 h TRP 299 Cb 0.27 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 1xa4 h TRP 299 CO 0.02 0.78 -0.19 -0.07 -2.79 0.00 0.00 178.44 176.19 1xa4 h LEU 300 N 0.15 0.52 -1.99 0.65 3.38 -1.22 -2.91 115.31 113.90 1xa4 h LEU 300 Ca 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1xa4 h LEU 300 Cb 0.66 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xa4 h LEU 300 CO 0.04 0.72 -0.10 0.00 0.09 0.00 0.00 178.44 179.19 1xa4 h ALA 301 N 1.32 1.47 -0.50 1.53 0.00 -1.07 -2.21 119.26 119.80 1xa4 h ALA 301 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xa4 h ALA 301 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xa4 h ALA 301 CO 0.04 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.67 1xa4 n THR 302 N -3.89 0.66 -4.52 0.00 -2.24 -1.10 -3.40 114.28 99.80 1xa4 n THR 302 Ca -0.02 -0.74 -0.23 0.00 -2.27 0.00 0.00 64.05 60.78 1xa4 n THR 302 Cb 0.20 0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.34 1.56 0.83 4.78 4.02 -0.84 -4.95 115.29 119.35 1xa4 s HIS 303 Ca 0.39 -0.36 -0.12 0.00 1.02 0.00 0.00 55.06 55.99 1xa4 s HIS 303 Cb 0.21 -0.93 0.09 0.00 -1.02 0.00 0.00 32.58 30.93 1xa4 s HIS 303 CO 0.29 0.07 1.10 0.95 1.02 0.00 0.00 174.74 178.17 1xa4 s THR 304 N -0.81 2.84 0.19 1.30 -4.23 -1.26 -0.69 115.64 112.97 1xa4 s THR 304 Ca 0.05 0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.71 1xa4 s THR 304 Cb -0.08 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.85 1xa4 s THR 304 CO 0.02 -0.36 1.82 0.40 -0.54 0.00 0.00 174.62 175.96 1xa4 h ILE 305 N -1.20 1.04 -0.67 2.99 1.08 -1.92 -1.79 117.51 117.05 1xa4 h ILE 305 Ca -0.48 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1xa4 h ILE 305 Cb 1.28 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 1xa4 h ILE 305 CO 0.59 0.12 0.40 0.00 -0.69 0.00 0.00 178.15 178.58 1xa4 h ALA 306 N 1.26 0.85 -0.61 1.87 0.00 -1.99 0.28 119.26 120.92 1xa4 h ALA 306 Ca 0.24 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1xa4 h ALA 306 Cb 0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1xa4 h ALA 306 CO -0.11 0.32 0.21 0.93 0.00 0.00 0.00 179.25 180.60 1xa4 h GLU 307 N 0.91 0.93 -0.50 0.00 5.08 -1.88 -1.60 114.58 117.52 1xa4 h GLU 307 Ca 0.24 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1xa4 h GLU 307 Cb -0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1xa4 h GLU 307 CO -0.05 0.81 -0.03 0.28 -1.00 0.00 0.00 179.01 179.03 1xa4 h VAL 308 N 0.86 1.27 -0.67 3.13 2.07 -0.88 -1.58 116.25 120.44 1xa4 h VAL 308 Ca 0.20 -1.12 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 1xa4 h VAL 308 Cb 0.25 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1xa4 h VAL 308 CO -0.01 0.39 0.10 0.11 0.02 0.00 0.00 177.57 178.18 1xa4 h LYS 309 N 0.76 1.11 -0.01 1.57 1.57 -0.81 0.35 116.57 121.10 1xa4 h LYS 309 Ca 0.14 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1xa4 h LYS 309 Cb 0.55 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1xa4 h LYS 309 CO 0.03 1.01 0.00 1.49 -0.57 0.00 0.00 179.45 181.42 1xa4 h GLU 310 N 1.03 0.01 -0.59 3.15 4.81 -1.17 -0.81 114.58 121.02 1xa4 h GLU 310 Ca 0.20 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1xa4 h GLU 310 Cb 0.45 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1xa4 h GLU 310 CO 0.01 0.17 0.22 -0.09 -0.73 0.00 0.00 179.01 178.59 1xa4 h ARG 311 N -0.14 0.90 -0.01 1.92 9.65 -1.08 -2.48 114.38 123.14 1xa4 h ARG 311 Ca 0.00 -0.18 -0.11 0.00 -1.10 0.00 0.00 59.98 58.59 1xa4 h ARG 311 Cb 0.16 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 1xa4 h ARG 311 CO -0.00 0.79 -0.53 0.74 2.80 0.00 0.00 179.97 183.77 1xa4 h PHE 312 N 0.83 0.05 -0.58 2.20 -1.00 -0.82 -1.38 116.94 116.24 1xa4 h PHE 312 Ca 0.20 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.90 1xa4 h PHE 312 Cb 0.24 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1xa4 h PHE 312 CO 0.01 0.56 0.13 0.00 -1.61 0.00 0.00 178.31 177.41 1xa4 h ALA 313 N 1.44 0.76 -0.89 2.45 0.00 -0.90 0.10 119.26 122.21 1xa4 h ALA 313 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xa4 h ALA 313 Cb 0.95 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1xa4 h ALA 313 CO 0.07 0.47 0.54 0.93 0.00 0.00 0.00 179.25 181.26 1xa4 h GLU 314 N 0.83 1.21 -0.01 0.00 5.08 -0.91 -2.78 114.58 118.00 1xa4 h GLU 314 Ca 0.18 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xa4 h GLU 314 Cb 0.36 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xa4 h GLU 314 CO 0.00 0.85 -0.02 1.28 -1.00 0.00 0.00 179.01 180.12 1xa4 n LEU 315 N -4.36 1.04 -3.59 1.33 4.77 -0.59 -4.95 117.00 110.65 1xa4 n LEU 315 Ca 0.10 -0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 55.49 1xa4 n LEU 315 Cb 0.06 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 1xa4 n LEU 315 CO 0.38 0.17 0.16 0.59 -1.33 0.00 0.00 177.39 177.36 1xa4 n ASN 316 N -0.23 -5.80 -4.56 -1.43 3.02 -0.19 -4.52 115.26 101.55 1xa4 n ASN 316 Ca 0.20 -0.56 -0.37 0.00 -0.03 0.00 0.00 54.58 53.81 1xa4 n ASN 316 Cb 0.29 -4.61 -0.11 0.00 -0.61 0.00 0.00 39.78 34.74 1xa4 n ASN 316 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xa4 s ILE 317 N -3.27 5.07 0.21 2.41 1.01 0.18 -4.94 121.20 121.86 1xa4 s ILE 317 Ca 0.56 0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.98 1xa4 s ILE 317 Cb -0.26 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 38.70 1xa4 s ILE 317 CO 0.69 0.28 1.61 0.00 0.00 0.00 0.00 174.94 177.52 1xa4 s ALA 318 N 1.66 3.81 0.10 9.38 0.00 -1.26 -4.47 121.76 130.99 1xa4 s ALA 318 Ca 0.07 1.47 -0.25 0.00 0.00 0.00 0.00 51.96 53.25 1xa4 s ALA 318 Cb -0.16 -3.64 0.08 0.00 0.00 0.00 0.00 23.12 19.40 1xa4 s ALA 318 CO 0.09 -0.85 0.70 0.00 0.00 0.00 0.00 175.76 175.69 1xa4 s ALA 320 N -3.53 -1.13 0.35 0.00 0.00 -0.73 -4.99 121.76 111.73 1xa4 s ALA 320 Ca 0.02 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.46 1xa4 s ALA 320 Cb -0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.96 1xa4 s ALA 320 CO -0.12 -0.29 1.33 0.21 0.00 0.00 0.00 175.76 176.89 1xa4 s LYS 321 N -1.09 4.23 -0.51 0.00 2.20 -1.26 -1.16 119.74 122.16 1xa4 s LYS 321 Ca -0.11 2.25 -0.28 0.00 -0.36 0.00 0.00 55.97 57.46 1xa4 s LYS 321 Cb -0.03 -2.98 0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1xa4 s LYS 321 CO 0.06 -0.30 1.38 0.08 -0.36 0.00 0.00 175.35 176.21 1xa4 s VAL 322 N -1.17 3.86 0.15 4.02 1.01 -0.68 -4.85 120.40 122.75 1xa4 s VAL 322 Ca 0.51 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 1xa4 s VAL 322 Cb -0.40 -4.39 -0.07 0.00 0.00 0.00 0.00 36.38 31.52 1xa4 s VAL 322 CO 0.53 -1.04 0.95 -0.76 0.00 0.00 0.00 175.10 174.79 1xa4 s LEU 323 N 5.71 4.55 0.49 3.92 1.43 -1.26 -4.77 118.68 128.74 1xa4 s LEU 323 Ca 0.54 1.83 -0.08 0.00 -1.03 0.00 0.00 54.13 55.39 1xa4 s LEU 323 Cb -0.11 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1xa4 s LEU 323 CO 0.28 0.01 0.84 0.42 0.23 0.00 0.00 176.35 178.13 1xa4 s THR 324 N -0.39 4.82 0.29 5.49 -4.23 -1.26 -4.99 115.64 115.37 1xa4 s THR 324 Ca 0.45 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 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 -0.81 1.87 0.58 -0.54 0.00 0.00 174.62 176.02 1xa4 h VAL 325 N 0.38 0.99 0.00 2.29 2.07 -2.03 -1.31 116.25 118.64 1xa4 h VAL 325 Ca -0.46 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1xa4 h VAL 325 Cb 1.20 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xa4 h VAL 325 CO 0.62 0.19 0.00 -2.65 0.02 0.00 0.00 177.57 175.75 1xa4 n PRO 326 N -4.55 0.15 0.00 1.57 -0.02 -1.26 -2.88 135.00 128.01 1xa4 n PRO 326 Ca 0.17 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1xa4 n PRO 326 Cb 0.28 -1.88 0.37 0.00 -0.02 0.00 0.00 33.50 32.26 1xa4 n PRO 326 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xa4 n GLU 327 N -2.18 0.32 -0.02 -0.52 1.02 -0.49 -4.48 120.64 114.28 1xa4 n GLU 327 Ca 0.00 -0.17 -0.16 0.00 -0.02 0.00 0.00 57.16 56.82 1xa4 n GLU 327 Cb 0.13 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.94 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 0.40 0.30 -2.01 -4.62 3.38 -1.63 -3.14 115.31 108.00 1xa4 h LEU 328 Ca 0.00 -0.76 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 1xa4 h LEU 328 Cb 0.48 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xa4 h LEU 328 CO 0.00 1.02 -0.08 -0.33 0.09 0.00 0.00 178.44 179.14 1xa4 h GLU 329 N -0.38 0.00 -0.11 1.13 5.08 -1.80 -1.97 114.58 116.53 1xa4 h GLU 329 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xa4 h GLU 329 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1xa4 h GLU 329 CO 0.06 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 177.02 1xa4 n SER 330 N -4.10 2.90 -4.73 1.42 3.41 -1.25 -4.54 113.62 106.73 1xa4 n SER 330 Ca -0.03 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 1xa4 n SER 330 Cb 0.16 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 6.71 0.26 4.04 3.84 -0.74 -4.87 114.94 122.51 1xa4 s ASN 331 Ca 0.27 2.51 -0.02 0.00 0.21 0.00 0.00 52.86 55.83 1xa4 s ASN 331 Cb 0.18 -2.60 0.48 0.00 -0.55 0.00 0.00 41.25 38.77 1xa4 s ASN 331 CO 0.27 -0.71 1.79 -0.65 -2.79 0.00 0.00 177.10 175.01 1xa4 h PRO 332 N 6.26 0.72 -0.52 0.43 0.11 -1.92 -0.59 132.00 136.48 1xa4 h PRO 332 Ca -0.43 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1xa4 h PRO 332 Cb 1.21 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1xa4 h PRO 332 CO 0.85 0.47 0.10 0.37 -0.21 0.00 0.00 178.00 179.59 1xa4 h GLN 333 N 0.74 0.85 -0.52 1.05 5.75 -1.95 0.28 115.11 121.31 1xa4 h GLN 333 Ca 0.44 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1xa4 h GLN 333 Cb 0.52 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 1xa4 h GLN 333 CO -0.30 0.82 0.34 1.88 -2.65 0.00 0.00 178.83 178.92 1xa4 h TYR 334 N 0.74 0.64 -0.02 3.99 -1.99 -1.68 -1.87 116.97 116.77 1xa4 h TYR 334 Ca 0.16 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1xa4 h TYR 334 Cb 0.37 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 1xa4 h TYR 334 CO 0.03 0.39 0.01 0.28 -0.00 0.00 0.00 178.16 178.87 1xa4 h VAL 335 N 0.68 1.07 -0.33 -2.88 2.07 -0.88 -0.99 116.25 114.99 1xa4 h VAL 335 Ca 0.19 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1xa4 h VAL 335 Cb -0.06 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1xa4 h VAL 335 CO -0.05 0.05 0.10 0.00 0.02 0.00 0.00 177.57 177.69 1xa4 h ALA 336 N 0.93 1.56 -0.03 1.67 0.00 -0.76 -2.58 119.26 120.05 1xa4 h ALA 336 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xa4 h ALA 336 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xa4 h ALA 336 CO -0.00 0.34 -0.02 0.54 0.00 0.00 0.00 179.25 180.11 1xa4 n ARG 337 N -4.37 2.17 -3.95 0.00 1.74 -0.72 -4.96 116.66 106.56 1xa4 n ARG 337 Ca 0.02 -1.72 -0.28 0.00 -0.77 0.00 0.00 57.85 55.09 1xa4 n ARG 337 Cb 0.16 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.09 -4.18 0.20 5.56 1.02 -0.45 -4.87 120.64 119.00 1xa4 n GLU 338 Ca 0.15 0.49 0.03 0.00 -0.02 0.00 0.00 57.16 57.81 1xa4 n GLU 338 Cb 0.55 -5.03 0.40 0.00 -0.02 0.00 0.00 31.44 27.34 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 -1.84 0.00 -3.32 1.62 0.02 -1.65 -3.40 113.55 104.99 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 0.66 0.32 -0.84 -0.63 -1.14 0.00 0.00 176.83 175.20 1xa4 s ILE 340 N -4.30 2.41 0.02 3.27 1.01 -1.26 -1.22 121.20 121.12 1xa4 s ILE 340 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1xa4 s ILE 340 Cb 0.15 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 1xa4 s ILE 340 CO 0.72 0.54 0.01 1.07 0.00 0.00 0.00 174.94 177.28 1xa4 n THR 341 N 3.62 0.00 -4.08 2.92 5.66 0.26 -4.84 114.28 117.82 1xa4 n THR 341 Ca -0.19 -0.10 -0.10 0.00 -3.05 0.00 0.00 64.05 60.62 1xa4 n THR 341 Cb 0.53 0.04 -0.11 0.00 -1.55 0.00 0.00 70.33 69.24 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 -2.06 0.57 0.24 1.09 -0.21 -1.26 -1.75 119.66 116.29 1xa4 s GLN 342 Ca 0.01 -1.01 -0.12 0.00 0.02 0.00 0.00 55.36 54.26 1xa4 s GLN 342 Cb 0.00 -0.01 -0.00 0.00 1.00 0.00 0.00 33.01 33.99 1xa4 s GLN 342 CO 0.01 -0.04 0.46 1.67 -2.12 0.00 0.00 175.29 175.26 1xa4 s TRP 343 N -2.74 0.37 -0.11 0.91 -2.14 0.02 -4.97 118.94 110.27 1xa4 s TRP 343 Ca -0.01 -0.73 -0.14 0.00 2.66 0.00 0.00 56.10 57.89 1xa4 s TRP 343 Cb -0.01 0.16 -0.05 0.00 -3.10 0.00 0.00 33.47 30.48 1xa4 s TRP 343 CO -0.04 -0.96 0.32 -0.65 -2.66 0.00 0.00 176.95 172.95 1xa4 s GLN 344 N -4.01 4.08 0.00 3.25 -1.52 -1.26 -0.49 119.66 119.71 1xa4 s GLN 344 Ca 0.22 0.17 0.00 0.00 -1.95 0.00 0.00 55.36 53.80 1xa4 s GLN 344 Cb -0.00 -3.35 0.00 0.00 -0.22 0.00 0.00 33.01 29.44 1xa4 s GLN 344 CO 0.08 0.40 0.00 0.25 -0.25 0.00 0.00 175.29 175.77 1xa4 n THR 345 N 2.98 0.00 0.00 -0.19 -2.24 0.69 -3.98 114.28 111.54 1xa4 n THR 345 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1xa4 n THR 345 Cb 0.52 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 5.68 -1.26 -4.21 116.55 120.18 1xa4 n ASP 347 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1xa4 n ASP 347 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1xa4 n ASP 347 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xa4 n GLY 348 N 0.00 0.73 3.93 6.12 0.00 -1.26 -5.07 105.19 109.63 1xa4 n GLY 348 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.72 3.50 -0.04 1.61 0.52 -1.26 -5.05 118.95 117.51 1xa4 s ARG 349 Ca 0.00 -0.39 -0.26 0.00 -0.52 0.00 0.00 55.73 54.56 1xa4 s ARG 349 Cb 0.00 -2.91 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 1xa4 s ARG 349 CO 0.00 0.48 0.84 0.99 0.02 0.00 0.00 175.30 177.63 1xa4 s THR 350 N -1.74 4.96 -0.03 0.02 2.01 -1.26 -0.22 115.64 119.37 1xa4 s THR 350 Ca 0.37 1.73 0.07 0.00 0.31 0.00 0.00 61.69 64.17 1xa4 s THR 350 Cb -0.12 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1xa4 s THR 350 CO 0.28 0.19 -0.23 0.00 -0.69 0.00 0.00 174.62 174.17 1xa4 s LYS 352 N -0.37 2.58 0.00 0.00 2.20 -1.26 -0.80 119.74 122.08 1xa4 s LYS 352 Ca 0.04 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 1xa4 s LYS 352 Cb -0.11 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 1xa4 s LYS 352 CO 0.01 0.61 0.00 0.41 -0.36 0.00 0.00 175.35 176.02 1xa4 n GLY 353 N 1.71 -1.62 3.63 5.54 0.00 -0.71 -5.00 105.19 108.72 1xa4 n GLY 353 Ca -0.16 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.33 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 1.61 -1.02 1.61 -0.02 -1.26 -0.58 135.00 135.07 1xa4 n PRO 354 Ca 0.00 0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 1xa4 n PRO 354 Cb 0.00 -2.04 0.26 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.34 0.43 1.29 2.55 3.84 -0.36 -4.69 114.94 117.66 1xa4 s ASN 355 Ca 0.60 0.52 -0.21 0.00 0.21 0.00 0.00 52.86 53.99 1xa4 s ASN 355 Cb -0.67 -0.68 0.32 0.00 -0.55 0.00 0.00 41.25 39.67 1xa4 s ASN 355 CO 0.59 -4.41 1.04 -0.63 -2.79 0.00 0.00 177.10 170.90 1xa4 s ILE 356 N -2.97 1.45 0.43 -5.21 -1.09 -1.26 -5.01 121.20 107.54 1xa4 s ILE 356 Ca 0.72 0.00 -0.07 0.00 -2.23 0.00 0.00 60.65 59.07 1xa4 s ILE 356 Cb -0.08 -2.32 0.11 0.00 -1.58 0.00 0.00 42.46 38.59 1xa4 s ILE 356 CO 0.56 0.00 0.25 -0.81 -1.23 0.00 0.00 174.94 173.71 1xa4 n PRO 358 N -5.11 -2.78 -3.38 2.79 -0.04 -1.26 -5.02 135.00 120.21 1xa4 n PRO 358 Ca 0.13 -0.42 -0.43 0.00 -0.04 0.00 0.00 63.50 62.74 1xa4 n PRO 358 Cb 0.60 -0.55 -0.09 0.00 -0.04 0.00 0.00 33.50 33.42 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 -3.56 3.02 -0.02 0.54 1.02 -1.26 -4.82 119.74 114.67 1xa4 s LYS 359 Ca 0.19 -1.02 -0.28 0.00 0.02 0.00 0.00 55.97 54.88 1xa4 s LYS 359 Cb -0.03 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.22 1xa4 s LYS 359 CO 0.16 -0.89 0.88 -0.06 -0.92 0.00 0.00 175.35 174.51 1xa4 s PHE 360 N 1.88 3.63 -0.07 3.18 0.08 -1.26 -5.00 117.98 120.43 1xa4 s PHE 360 Ca 0.08 1.54 -0.26 0.00 0.12 0.00 0.00 56.93 58.40 1xa4 s PHE 360 Cb -0.20 -3.00 -0.21 0.00 -0.57 0.00 0.00 43.02 39.04 1xa4 s PHE 360 CO 0.10 0.03 1.02 -0.22 -0.10 0.00 0.00 175.22 176.06 1xa4 h LYS 361 N 6.74 -0.03 0.18 0.44 3.64 -1.99 -3.05 116.57 122.49 1xa4 h LYS 361 Ca -0.41 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.64 1xa4 h LYS 361 Cb 1.21 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1xa4 h LYS 361 CO 0.75 0.61 -1.62 -0.91 -2.27 0.00 0.00 179.45 176.01 1xa4 h ASN 362 N -0.72 0.58 -2.34 4.20 2.35 -2.05 -3.40 115.58 114.20 1xa4 h ASN 362 Ca -0.00 -0.79 -0.59 0.00 -0.55 0.00 0.00 56.30 54.37 1xa4 h ASN 362 Cb 0.66 -0.19 -0.40 0.00 0.05 0.00 0.00 38.32 38.44 1xa4 h ASN 362 CO 0.01 1.65 -0.82 0.59 -1.65 0.00 0.00 177.43 177.21 1xa4 n ASN 363 N -3.57 1.70 -4.76 5.81 4.13 -1.26 -5.02 115.26 112.29 1xa4 n ASN 363 Ca -0.20 -2.96 -0.38 0.00 1.68 0.00 0.00 54.58 52.72 1xa4 n ASN 363 Cb 1.07 -0.65 0.02 0.00 -1.54 0.00 0.00 39.78 38.68 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 -1.40 3.40 1.13 3.52 0.04 -1.15 -3.79 135.00 136.75 1xa4 s PRO 364 Ca 0.34 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 1xa4 s PRO 364 Cb 0.10 -2.33 0.26 0.00 0.04 0.00 0.00 34.50 32.57 1xa4 s PRO 364 CO -0.11 -0.93 1.05 0.20 0.04 0.00 0.00 177.00 177.25 1xa4 s GLY 365 N -1.09 1.54 0.13 0.56 0.00 -1.26 -3.59 107.32 103.62 1xa4 s GLY 365 Ca 0.68 -0.26 -0.18 0.00 0.00 0.00 0.00 44.72 44.96 1xa4 s GLY 365 CO 0.43 0.44 0.45 -0.86 0.00 0.00 0.00 173.10 173.57 1xa4 s GLN 366 N -4.64 1.12 -0.43 2.90 -2.07 -1.24 -4.95 119.66 110.35 1xa4 s GLN 366 Ca 0.68 -0.64 -0.18 0.00 -1.82 0.00 0.00 55.36 53.39 1xa4 s GLN 366 Cb -0.23 0.50 0.02 0.00 -1.09 0.00 0.00 33.01 32.22 1xa4 s GLN 366 CO 0.62 -0.45 0.49 0.42 -1.32 0.00 0.00 175.29 175.05 1xa4 s ILE 367 N -3.78 5.03 -0.35 3.63 1.01 -1.26 -4.88 121.20 120.59 1xa4 s ILE 367 Ca 0.02 -0.25 0.10 0.00 0.00 0.00 0.00 60.65 60.53 1xa4 s ILE 367 Cb 0.01 -4.08 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 1xa4 s ILE 367 CO -0.12 -0.47 0.38 -2.67 0.00 0.00 0.00 174.94 172.06 1xa4 n TRP 368 N 5.76 0.00 -3.70 3.97 4.27 -1.26 -5.03 117.44 121.45 1xa4 n TRP 368 Ca -0.06 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.41 1xa4 n TRP 368 Cb 0.47 -0.07 -0.09 0.00 -1.36 0.00 0.00 31.31 30.27 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 -2.18 0.62 0.00 -2.67 3.52 -1.26 -5.00 118.95 111.97 1xa4 s ARG 369 Ca 0.02 0.54 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1xa4 s ARG 369 Cb 0.07 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 1xa4 s ARG 369 CO 0.43 -0.10 0.06 0.41 -0.81 0.00 0.00 175.30 175.29 1xa4 n GLY 370 N 2.48 0.77 3.23 8.12 0.00 -1.26 -1.09 105.19 117.46 1xa4 n GLY 370 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.12 1.01 0.74 1.61 0.04 -1.26 -4.35 135.00 132.66 1xa4 s PRO 372 Ca 0.00 -1.24 -0.11 0.00 0.04 0.00 0.00 61.00 59.69 1xa4 s PRO 372 Cb 0.00 -0.85 0.05 0.00 0.04 0.00 0.00 34.50 33.73 1xa4 s PRO 372 CO 0.00 0.16 1.11 -1.54 0.04 0.00 0.00 177.00 176.77 1xa4 s SER 373 N -2.48 4.99 -0.01 6.66 1.04 -1.26 -4.97 113.70 117.66 1xa4 s SER 373 Ca 0.09 0.87 -0.30 0.00 0.48 0.00 0.00 55.95 57.09 1xa4 s SER 373 Cb -0.04 -1.54 -0.08 0.00 0.10 0.00 0.00 66.02 64.46 1xa4 s SER 373 CO 0.03 -1.59 1.99 -2.28 0.98 0.00 0.00 173.24 172.37 1xa4 s HIS 374 N -3.41 1.30 -0.12 5.02 2.46 -1.26 -4.71 115.29 114.57 1xa4 s HIS 374 Ca 0.60 -0.25 -0.02 0.00 0.47 0.00 0.00 55.06 55.86 1xa4 s HIS 374 Cb -0.11 -4.18 0.01 0.00 -0.13 0.00 0.00 32.58 28.17 1xa4 s HIS 374 CO 0.49 -5.21 0.03 0.41 -2.47 0.00 0.00 174.74 167.99 1xa4 n GLY 375 N 4.73 -3.60 0.00 1.59 0.00 -1.26 -4.85 105.19 101.81 1xa4 n GLY 375 Ca 0.21 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.42 0.00 -0.12 1.61 8.00 -0.24 -4.25 116.55 121.97 1xa4 n ASP 377 Ca -0.05 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.40 1xa4 n ASP 377 Cb 0.08 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.62 -0.32 -3.53 2.02 -1.76 -1.08 112.91 108.86 1xa4 h THR 378 Ca 0.00 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1xa4 h THR 378 Cb 0.00 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1xa4 h THR 378 CO 0.00 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.04 1xa4 h ALA 379 N 1.39 0.42 -0.62 6.16 0.00 -1.89 -0.81 119.26 123.91 1xa4 h ALA 379 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xa4 h ALA 379 Cb 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xa4 h ALA 379 CO -0.40 0.00 0.30 0.00 0.00 0.00 0.00 179.25 179.15 1xa4 h ALA 380 N 0.99 0.80 -0.24 0.00 0.00 -1.89 -0.41 119.26 118.51 1xa4 h ALA 380 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xa4 h ALA 380 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xa4 h ALA 380 CO -0.01 0.36 0.05 0.82 0.00 0.00 0.00 179.25 180.47 1xa4 h ILE 381 N 0.85 1.22 -0.53 0.00 2.04 -1.04 -0.03 117.51 120.02 1xa4 h ILE 381 Ca 0.21 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1xa4 h ILE 381 Cb 0.12 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1xa4 h ILE 381 CO -0.03 0.23 0.06 -0.07 0.00 0.00 0.00 178.15 178.34 1xa4 h LEU 382 N 0.21 0.86 -1.04 1.44 3.38 -0.97 -2.20 115.31 117.00 1xa4 h LEU 382 Ca 0.08 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1xa4 h LEU 382 Cb 0.29 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1xa4 h LEU 382 CO 0.00 0.92 0.64 0.50 0.09 0.00 0.00 178.44 180.59 1xa4 h LYS 383 N 0.77 1.15 0.00 1.13 3.64 -0.96 -1.46 116.57 120.84 1xa4 h LYS 383 Ca 0.16 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1xa4 h LYS 383 Cb 0.44 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1xa4 h LYS 383 CO 0.02 0.76 -0.32 -0.97 -2.27 0.00 0.00 179.45 176.67 1xa4 h ASN 384 N 1.18 0.00 -0.69 4.20 -1.24 -0.40 -1.80 115.58 116.83 1xa4 h ASN 384 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.42 1xa4 h ASN 384 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1xa4 h ASN 384 CO -0.15 0.32 0.00 2.30 -1.29 0.00 0.00 177.43 178.61 1xa4 n ILE 385 N -3.89 1.60 0.00 2.57 -5.35 -0.90 -4.95 119.36 108.45 1xa4 n ILE 385 Ca -0.02 -1.14 0.00 0.00 -0.27 0.00 0.00 62.75 61.33 1xa4 n ILE 385 Cb 0.39 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 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 1.33 1.03 3.78 3.28 0.00 -0.68 -4.98 105.19 108.95 1xa4 n GLY 386 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 3.75 0.63 1.61 2.02 -0.61 -4.99 117.35 117.77 1xa4 s TYR 387 Ca 0.00 1.74 -0.07 0.00 -0.37 0.00 0.00 57.07 58.37 1xa4 s TYR 387 Cb 0.00 -2.87 0.02 0.00 -0.40 0.00 0.00 41.96 38.71 1xa4 s TYR 387 CO 0.00 0.30 0.95 -1.54 -1.57 0.00 0.00 175.55 173.69 1xa4 s SER 388 N -1.51 5.38 0.24 2.29 1.04 -1.26 -4.13 113.70 115.75 1xa4 s SER 388 Ca 0.46 0.70 -0.05 0.00 0.48 0.00 0.00 55.95 57.55 1xa4 s SER 388 Cb -0.20 -1.59 0.37 0.00 0.10 0.00 0.00 66.02 64.70 1xa4 s SER 388 CO 0.25 -1.23 1.83 -0.08 0.98 0.00 0.00 173.24 174.99 1xa4 h GLU 389 N -0.34 0.84 -0.33 4.02 4.57 -1.99 -2.16 114.58 119.19 1xa4 h GLU 389 Ca -0.45 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 1xa4 h GLU 389 Cb 1.27 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1xa4 h GLU 389 CO 0.61 0.56 0.12 -0.97 -1.18 0.00 0.00 179.01 178.14 1xa4 h ASN 390 N 0.87 0.48 -0.97 1.04 -1.24 -1.99 -1.68 115.58 112.08 1xa4 h ASN 390 Ca 0.39 -0.19 0.14 0.00 0.71 0.00 0.00 56.30 57.35 1xa4 h ASN 390 Cb 0.28 -0.12 -0.09 0.00 0.73 0.00 0.00 38.32 39.11 1xa4 h ASN 390 CO -0.21 0.54 0.58 0.44 -1.29 0.00 0.00 177.43 177.49 1xa4 h ASP 391 N 0.39 0.81 -0.17 1.15 3.32 -1.85 -1.88 116.42 118.19 1xa4 h ASP 391 Ca 0.11 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 1xa4 h ASP 391 Cb 0.23 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1xa4 h ASP 391 CO -0.01 0.38 -0.43 0.40 -1.72 0.00 0.00 179.24 177.86 1xa4 h ILE 392 N 0.86 1.34 -0.27 0.35 2.04 -1.08 -1.75 117.51 118.99 1xa4 h ILE 392 Ca 0.51 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.64 1xa4 h ILE 392 Cb 0.62 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1xa4 h ILE 392 CO -0.31 0.52 -0.01 -0.61 0.00 0.00 0.00 178.15 177.74 1xa4 h GLN 393 N 0.25 0.40 -0.09 2.37 5.75 -0.99 -1.36 115.11 121.44 1xa4 h GLN 393 Ca -0.01 -0.08 -0.20 0.00 -0.15 0.00 0.00 58.65 58.22 1xa4 h GLN 393 Cb 1.05 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.53 1xa4 h GLN 393 CO 0.09 0.44 -0.77 0.93 -2.65 0.00 0.00 178.83 176.87 1xa4 h GLU 394 N 0.39 0.53 -0.30 1.69 5.08 -1.23 -0.35 114.58 120.40 1xa4 h GLU 394 Ca 0.09 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1xa4 h GLU 394 Cb 0.28 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1xa4 h GLU 394 CO 0.01 1.08 0.16 -0.07 -1.00 0.00 0.00 179.01 179.19 1xa4 h LEU 395 N 0.35 0.26 -0.58 1.33 3.38 -0.77 -2.29 115.31 116.99 1xa4 h LEU 395 Ca -0.04 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xa4 h LEU 395 Cb 1.37 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1xa4 h LEU 395 CO 0.14 0.19 0.35 0.58 0.09 0.00 0.00 178.44 179.80 1xa4 h VAL 396 N 0.34 1.17 -0.08 1.22 2.07 -1.14 -1.43 116.25 118.40 1xa4 h VAL 396 Ca 0.12 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1xa4 h VAL 396 Cb 0.01 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1xa4 h VAL 396 CO -0.06 0.18 -0.25 0.28 0.02 0.00 0.00 177.57 177.73 1xa4 h SER 397 N 0.79 0.14 0.91 0.57 0.02 -0.94 -1.59 113.55 113.45 1xa4 h SER 397 Ca 0.21 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1xa4 h SER 397 Cb -0.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1xa4 h SER 397 CO -0.04 0.40 0.00 0.29 -1.14 0.00 0.00 176.83 176.34 1xa4 n LYS 398 N -4.19 0.03 -1.18 3.45 5.02 -0.87 -4.92 118.16 115.50 1xa4 n LYS 398 Ca -0.01 0.09 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 1xa4 n LYS 398 Cb 0.34 -1.54 -0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 1.08 0.43 0.22 0.72 0.00 -0.60 -4.96 105.19 102.08 1xa4 n GLY 399 Ca 0.06 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.10 1.19 -3.65 0.99 4.77 -0.56 -4.86 117.00 114.78 1xa4 n LEU 400 Ca -0.01 -0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 55.47 1xa4 n LEU 400 Cb 0.10 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1xa4 n LEU 400 CO 0.01 0.24 0.14 0.00 -1.33 0.00 0.00 177.39 176.45 1xa4 s ALA 401 N -2.69 -0.90 -0.04 -1.18 0.00 -1.19 -1.07 121.76 114.69 1xa4 s ALA 401 Ca 0.17 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1xa4 s ALA 401 Cb 0.18 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1xa4 s ALA 401 CO 0.64 -0.59 -0.10 0.21 0.00 0.00 0.00 175.76 175.92 1xa4 s LYS 402 N -3.51 1.19 0.00 0.00 2.20 -0.58 -4.27 119.74 114.77 1xa4 s LYS 402 Ca 0.01 -0.32 0.17 0.00 -0.36 0.00 0.00 55.97 55.48 1xa4 s LYS 402 Cb 0.01 -1.07 0.14 0.00 -1.51 0.00 0.00 37.83 35.41 1xa4 s LYS 402 CO -0.10 0.07 1.05 1.33 -0.36 0.00 0.00 175.35 177.34