#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i23 s VAL 3 N 0.00 5.06 0.41 2.28 1.01 -0.33 -4.94 120.40 123.90 3i23 s VAL 3 Ca 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 61.98 62.72 3i23 s VAL 3 Cb 0.00 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 3i23 s VAL 3 CO 0.00 0.09 0.89 -0.54 0.00 0.00 0.00 175.10 175.53 3i23 s LYS 4 N 2.27 4.09 0.22 2.72 -0.14 -1.26 -1.07 119.74 126.56 3i23 s LYS 4 Ca 0.22 0.93 -0.20 0.00 -1.36 0.00 0.00 55.97 55.56 3i23 s LYS 4 Cb -0.16 -2.25 0.07 0.00 -1.68 0.00 0.00 37.83 33.81 3i23 s LYS 4 CO 0.09 -0.02 0.96 0.41 -0.76 0.00 0.00 175.35 176.03 3i23 n GLY 6 N -0.77 0.69 2.94 -3.33 0.00 -0.60 -1.69 105.19 102.43 3i23 n GLY 6 Ca 0.06 -1.16 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 3i23 n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i23 s PHE 7 N -2.24 0.77 -0.71 1.61 0.08 0.21 -2.24 117.98 115.45 3i23 s PHE 7 Ca 0.21 -0.20 -0.11 0.00 0.12 0.00 0.00 56.93 56.96 3i23 s PHE 7 Cb -0.03 -0.61 0.19 0.00 -0.57 0.00 0.00 43.02 42.00 3i23 s PHE 7 CO 0.07 -0.13 0.61 0.42 -0.10 0.00 0.00 175.22 176.09 3i23 s ILE 8 N 0.47 4.92 0.00 0.64 -1.09 0.28 -0.25 121.20 126.17 3i23 s ILE 8 Ca -0.07 -2.46 0.00 0.00 -2.23 0.00 0.00 60.65 55.90 3i23 s ILE 8 Cb -0.10 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 3i23 s ILE 8 CO 0.00 -0.95 0.00 0.61 -1.23 0.00 0.00 174.94 173.37 3i23 n GLY 9 N 4.04 3.32 2.65 6.18 0.00 0.35 -1.13 105.19 120.59 3i23 n GLY 9 Ca 0.08 -1.63 -0.00 0.00 0.00 0.00 0.00 46.02 44.47 3i23 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i23 n PHE 10 N -0.14 1.16 -0.14 1.61 7.35 -1.24 -4.62 117.46 121.45 3i23 n PHE 10 Ca 0.00 -1.96 0.00 0.00 -0.76 0.00 0.00 57.45 54.73 3i23 n PHE 10 Cb 0.00 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 39.61 3i23 n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3i23 n GLY 11 N -0.48 0.09 0.20 7.13 0.00 -1.26 -4.77 105.19 106.09 3i23 n GLY 11 Ca 0.08 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 3i23 n GLY 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i23 h LYS 12 N 0.00 0.34 -0.55 1.61 2.10 -1.97 -2.51 116.57 115.58 3i23 h LYS 12 Ca 0.00 -0.18 -0.00 0.00 -2.00 0.00 0.00 60.65 58.47 3i23 h LYS 12 Cb 0.00 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 3i23 h LYS 12 CO 0.00 0.73 0.34 0.77 -2.00 0.00 0.00 179.45 179.29 3i23 h SER 13 N 0.27 0.66 0.30 7.07 0.02 -1.93 -1.84 113.55 118.10 3i23 h SER 13 Ca 0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3i23 h SER 13 Cb 0.91 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3i23 h SER 13 CO 0.08 0.52 -0.14 0.00 -1.14 0.00 0.00 176.83 176.14 3i23 h ALA 14 N 1.17 -0.40 0.00 3.77 0.00 -1.85 -0.99 119.26 120.96 3i23 h ALA 14 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i23 h ALA 14 Cb -0.02 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i23 h ALA 14 CO -0.04 -0.63 0.00 0.09 0.00 0.00 0.00 179.25 178.67 3i23 n ASN 15 N -5.18 0.00 0.00 0.00 3.02 -0.95 -1.20 115.26 110.95 3i23 n ASN 15 Ca -0.10 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3i23 n ASN 15 Cb 0.23 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 3i23 n ASN 15 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i23 n ARG 16 N -0.90 0.00 -0.06 3.52 0.63 -0.70 -4.62 116.66 114.53 3i23 n ARG 16 Ca 0.09 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.99 3i23 n ARG 16 Cb 0.04 -0.75 -0.14 0.00 0.45 0.00 0.00 32.46 32.06 3i23 n ARG 16 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i23 n TYR 17 N -2.43 0.00 -0.05 -0.14 4.01 -0.40 -4.60 117.16 113.55 3i23 n TYR 17 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 3i23 n TYR 17 Cb 0.38 -0.74 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 3i23 n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3i23 n HIS 18 N -2.50 0.00 -0.23 -0.72 8.25 -1.19 -4.61 115.22 114.22 3i23 n HIS 18 Ca -0.21 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.28 3i23 n HIS 18 Cb 0.89 -0.31 0.15 0.00 1.12 0.00 0.00 29.99 31.84 3i23 n HIS 18 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3i23 h LEU 19 N -0.63 0.11 -2.10 2.41 3.38 -1.45 -1.27 115.31 115.75 3i23 h LEU 19 Ca 0.00 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3i23 h LEU 19 Cb 0.63 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3i23 h LEU 19 CO 0.00 0.04 0.16 -0.65 0.09 0.00 0.00 178.44 178.08 3i23 h PRO 20 N 0.33 0.00 0.08 1.13 0.11 -1.81 -2.96 132.00 128.88 3i23 h PRO 20 Ca 0.37 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.13 3i23 h PRO 20 Cb 0.56 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 3i23 h PRO 20 CO -0.42 0.00 -1.96 0.66 -0.21 0.00 0.00 178.00 176.07 3i23 n TYR 21 N -4.24 1.08 0.18 0.65 4.01 -0.72 -4.20 117.16 113.91 3i23 n TYR 21 Ca 0.02 0.27 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 3i23 n TYR 21 Cb 0.30 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.17 3i23 n TYR 21 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3i23 n VAL 22 N -3.33 0.75 0.00 -0.72 0.31 -0.56 -3.46 118.33 111.33 3i23 n VAL 22 Ca -0.29 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3i23 n VAL 22 Cb 1.05 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 3i23 n VAL 22 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i23 n ILE 24 N 1.18 0.00 -3.73 2.52 5.41 -1.26 -4.75 119.36 118.73 3i23 n ILE 24 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 3i23 n ILE 24 Cb 0.26 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.10 3i23 n ILE 24 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3i23 s ARG 25 N 0.00 4.08 0.02 0.38 0.52 -1.22 -4.97 118.95 117.75 3i23 s ARG 25 Ca 0.00 -0.27 0.28 0.00 -0.52 0.00 0.00 55.73 55.22 3i23 s ARG 25 Cb 0.00 -3.46 1.00 0.00 0.52 0.00 0.00 34.95 33.02 3i23 s ARG 25 CO 0.00 0.15 1.77 0.39 0.02 0.00 0.00 175.30 177.63 3i23 n GLU 26 N 3.99 0.03 0.00 3.54 1.02 -1.26 -2.96 120.64 125.00 3i23 n GLU 26 Ca -0.16 0.02 0.13 0.00 -0.02 0.00 0.00 57.16 57.13 3i23 n GLU 26 Cb 0.52 -1.53 0.59 0.00 -0.02 0.00 0.00 31.44 31.00 3i23 n GLU 26 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3i23 n THR 27 N -1.57 0.14 -5.11 2.62 -2.24 -1.26 -4.76 114.28 102.10 3i23 n THR 27 Ca 0.06 0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.57 3i23 n THR 27 Cb 0.35 -0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 67.86 3i23 n THR 27 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i23 s LEU 28 N -2.96 2.16 -0.19 3.22 1.02 -1.15 -1.19 118.68 119.59 3i23 s LEU 28 Ca 0.14 -0.49 -0.03 0.00 0.02 0.00 0.00 54.13 53.77 3i23 s LEU 28 Cb 0.18 -1.34 0.06 0.00 0.02 0.00 0.00 46.19 45.10 3i23 s LEU 28 CO 0.49 0.30 0.04 -0.70 0.02 0.00 0.00 176.35 176.50 3i23 s GLU 29 N -0.88 0.56 -0.67 1.70 2.12 -0.24 -4.86 118.70 116.44 3i23 s GLU 29 Ca 0.11 -0.36 -0.26 0.00 0.36 0.00 0.00 54.97 54.83 3i23 s GLU 29 Cb -0.10 -2.04 0.04 0.00 0.26 0.00 0.00 34.13 32.29 3i23 s GLU 29 CO 0.00 -0.64 1.14 0.08 -0.54 0.00 0.00 175.26 175.31 3i23 s VAL 30 N 1.90 4.01 -0.07 3.70 1.01 -1.26 -4.39 120.40 125.30 3i23 s VAL 30 Ca -0.00 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 3i23 s VAL 30 Cb -0.17 -4.78 -0.30 0.00 0.00 0.00 0.00 36.38 31.13 3i23 s VAL 30 CO -0.08 -1.59 0.64 0.50 0.00 0.00 0.00 175.10 174.57 3i23 h LYS 31 N 9.75 0.34 -4.18 2.72 3.64 -1.93 -3.41 116.57 123.51 3i23 h LYS 31 Ca -0.28 -0.58 -0.30 0.00 -1.27 0.00 0.00 60.65 58.22 3i23 h LYS 31 Cb 1.06 0.22 -0.28 0.00 -0.41 0.00 0.00 32.23 32.82 3i23 h LYS 31 CO 1.22 1.28 -0.75 0.99 -2.27 0.00 0.00 179.45 179.92 3i23 s THR 32 N -2.54 0.32 -0.10 1.00 2.01 -1.26 -2.14 115.64 112.93 3i23 s THR 32 Ca -0.17 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.65 3i23 s THR 32 Cb 0.05 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.29 3i23 s THR 32 CO 0.82 0.07 -0.19 -0.63 -0.69 0.00 0.00 174.62 174.00 3i23 s ILE 33 N -0.14 1.72 -0.05 1.82 -1.09 0.11 -0.62 121.20 122.95 3i23 s ILE 33 Ca 0.01 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 3i23 s ILE 33 Cb -0.02 -1.52 -0.03 0.00 -1.58 0.00 0.00 42.46 39.31 3i23 s ILE 33 CO -0.00 0.48 -0.11 0.12 -1.23 0.00 0.00 174.94 174.20 3i23 s PHE 34 N 0.65 2.79 -0.29 3.97 5.36 0.65 -1.43 117.98 129.68 3i23 s PHE 34 Ca -0.13 -0.09 -0.23 0.00 -0.96 0.00 0.00 56.93 55.51 3i23 s PHE 34 Cb -0.16 -1.65 0.14 0.00 -0.34 0.00 0.00 43.02 41.01 3i23 s PHE 34 CO 0.03 0.26 1.08 0.34 -1.46 0.00 0.00 175.22 175.47 3i23 s ASP 35 N -0.86 -0.41 0.18 6.13 -1.08 0.14 -0.50 116.67 120.28 3i23 s ASP 35 Ca 0.12 0.76 -0.11 0.00 -0.52 0.00 0.00 52.55 52.80 3i23 s ASP 35 Cb -0.11 0.84 0.09 0.00 -1.46 0.00 0.00 42.92 42.28 3i23 s ASP 35 CO 0.02 -0.13 1.73 -0.07 0.52 0.00 0.00 175.17 177.24 3i23 h LEU 36 N 4.40 0.88 -6.89 -1.34 4.07 -1.85 -3.32 115.31 111.26 3i23 h LEU 36 Ca -0.28 -0.17 -0.61 0.00 0.08 0.00 0.00 57.88 56.89 3i23 h LEU 36 Cb 1.18 -0.23 -0.40 0.00 1.08 0.00 0.00 40.66 42.29 3i23 h LEU 36 CO 0.13 0.81 -0.72 -1.00 -1.08 0.00 0.00 178.44 176.58 3i23 s HIS 37 N -5.54 2.52 0.97 1.13 3.76 -1.26 -4.90 115.29 111.97 3i23 s HIS 37 Ca -0.13 -2.85 -0.12 0.00 -0.15 0.00 0.00 55.06 51.82 3i23 s HIS 37 Cb 0.13 -2.05 0.17 0.00 1.11 0.00 0.00 32.58 31.95 3i23 s HIS 37 CO 0.80 -0.69 1.09 0.08 -0.85 0.00 0.00 174.74 175.17 3i23 s VAL 38 N -0.56 2.37 -0.34 -0.90 1.01 -1.26 -5.02 120.40 115.71 3i23 s VAL 38 Ca 0.25 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 3i23 s VAL 38 Cb -0.08 -2.41 0.08 0.00 0.00 0.00 0.00 36.38 33.97 3i23 s VAL 38 CO -0.13 -0.16 0.07 0.21 0.00 0.00 0.00 175.10 175.10 3i23 s ASN 39 N -3.04 4.99 0.37 3.32 3.84 -1.26 -4.97 114.94 118.19 3i23 s ASN 39 Ca 0.65 -1.63 0.07 0.00 0.21 0.00 0.00 52.86 52.16 3i23 s ASN 39 Cb -0.21 -1.74 0.73 0.00 -0.55 0.00 0.00 41.25 39.49 3i23 s ASN 39 CO 0.59 -0.37 1.92 -0.33 -2.79 0.00 0.00 177.10 176.12 3i23 h GLU 40 N 7.96 0.37 0.13 0.43 3.07 -1.96 0.33 114.58 124.91 3i23 h GLU 40 Ca -0.16 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.63 3i23 h GLU 40 Cb 1.05 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 3i23 h GLU 40 CO 0.58 0.44 -0.16 -0.22 -1.40 0.00 0.00 179.01 178.25 3i23 h LYS 41 N 0.36 -0.32 0.00 2.33 1.63 -2.01 -1.74 116.57 116.81 3i23 h LYS 41 Ca 0.08 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3i23 h LYS 41 Cb 0.31 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3i23 h LYS 41 CO 0.01 -0.21 -0.14 0.00 -3.45 0.00 0.00 179.45 175.66 3i23 h ALA 42 N 0.49 0.92 0.00 5.00 0.00 -1.93 -3.26 119.26 120.49 3i23 h ALA 42 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i23 h ALA 42 Cb 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3i23 h ALA 42 CO -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 179.25 178.88 3i23 h ALA 43 N 2.15 0.84 0.20 0.00 0.00 -0.14 -3.38 119.26 118.92 3i23 h ALA 43 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3i23 h ALA 43 Cb 0.93 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3i23 h ALA 43 CO 0.00 0.23 -0.35 0.00 0.00 0.00 0.00 179.25 179.13 3i23 h ALA 44 N 1.82 -0.93 -0.17 0.00 0.00 -1.36 0.73 119.26 119.35 3i23 h ALA 44 Ca -0.01 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i23 h ALA 44 Cb 1.14 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 3i23 h ALA 44 CO 0.02 -0.99 0.29 -1.00 0.00 0.00 0.00 179.25 177.57 3i23 h PRO 45 N -0.58 0.00 0.00 0.00 0.13 -1.79 -0.95 132.00 128.82 3i23 h PRO 45 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3i23 h PRO 45 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3i23 h PRO 45 CO -0.12 0.00 -0.25 0.74 -0.23 0.00 0.00 178.00 178.14 3i23 h PHE 46 N 0.00 0.00 -0.91 1.56 0.04 -1.56 -3.21 116.94 112.86 3i23 h PHE 46 Ca 0.08 0.00 0.25 0.00 2.80 0.00 0.00 57.97 61.10 3i23 h PHE 46 Cb 0.65 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.64 3i23 h PHE 46 CO 0.00 0.00 0.12 0.87 -0.60 0.00 0.00 178.31 178.70 3i23 h LYS 47 N -0.84 0.09 0.00 1.51 1.57 0.64 1.47 116.57 121.01 3i23 h LYS 47 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3i23 h LYS 47 Cb 0.25 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3i23 h LYS 47 CO 0.00 0.06 -0.04 1.49 -0.57 0.00 0.00 179.45 180.39 3i23 h GLU 48 N 0.09 0.00 0.00 3.15 4.81 -1.34 -0.99 114.58 120.31 3i23 h GLU 48 Ca 0.56 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.78 3i23 h GLU 48 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3i23 h GLU 48 CO -0.78 0.04 -0.05 0.87 -0.73 0.00 0.00 179.01 178.36 3i23 h LYS 49 N 0.00 0.00 0.00 1.92 1.57 0.20 -3.46 116.57 116.80 3i23 h LYS 49 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i23 h LYS 49 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3i23 h LYS 49 CO 0.01 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 3i23 n GLY 50 N 0.92 0.17 3.70 3.86 0.00 -0.38 -5.10 105.19 108.36 3i23 n GLY 50 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3i23 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i23 s VAL 51 N -1.13 4.97 -0.10 1.61 1.01 -1.08 -4.91 120.40 120.76 3i23 s VAL 51 Ca 0.00 1.61 -0.11 0.00 0.00 0.00 0.00 61.98 63.48 3i23 s VAL 51 Cb 0.00 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3i23 s VAL 51 CO 0.00 0.17 0.24 0.21 0.00 0.00 0.00 175.10 175.72 3i23 s ASN 52 N 0.94 6.50 0.40 3.32 3.84 -0.91 -3.57 114.94 125.47 3i23 s ASN 52 Ca 0.40 0.60 0.08 0.00 0.21 0.00 0.00 52.86 54.14 3i23 s ASN 52 Cb -0.18 -2.14 -0.03 0.00 -0.55 0.00 0.00 41.25 38.35 3i23 s ASN 52 CO 0.18 0.31 0.31 -0.36 -2.79 0.00 0.00 177.10 174.76 3i23 s PHE 53 N -0.66 2.70 -0.17 0.43 0.08 -1.26 0.07 117.98 119.18 3i23 s PHE 53 Ca 0.17 -0.49 -0.31 0.00 0.12 0.00 0.00 56.93 56.42 3i23 s PHE 53 Cb -0.13 -2.06 0.14 0.00 -0.57 0.00 0.00 43.02 40.39 3i23 s PHE 53 CO 0.06 -0.00 1.11 -0.08 -0.10 0.00 0.00 175.22 176.21 3i23 s THR 54 N -2.48 0.00 -0.62 0.64 -1.32 -0.52 -4.86 115.64 106.48 3i23 s THR 54 Ca 0.45 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 61.05 3i23 s THR 54 Cb -0.02 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.32 3i23 s THR 54 CO 0.26 0.00 1.28 0.00 -2.21 0.00 0.00 174.62 173.95 3i23 n ALA 55 N 0.30 2.40 -3.95 11.08 0.00 -1.25 -0.68 120.51 128.41 3i23 n ALA 55 Ca -0.05 -1.51 -0.33 0.00 0.00 0.00 0.00 53.44 51.55 3i23 n ALA 55 Cb 0.59 -0.48 -0.15 0.00 0.00 0.00 0.00 19.45 19.41 3i23 n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i23 s ASP 56 N -1.32 4.62 0.29 0.00 2.15 -1.26 -4.73 116.67 116.42 3i23 s ASP 56 Ca 0.27 -1.47 -0.00 0.00 0.43 0.00 0.00 52.55 51.77 3i23 s ASP 56 Cb 0.18 -1.61 0.49 0.00 -0.30 0.00 0.00 42.92 41.68 3i23 s ASP 56 CO 0.12 -0.24 1.90 0.25 -0.17 0.00 0.00 175.17 177.03 3i23 h LEU 57 N 7.82 0.96 -0.36 -1.34 5.85 -1.98 -2.84 115.31 123.41 3i23 h LEU 57 Ca -0.18 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3i23 h LEU 57 Cb 1.04 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 3i23 h LEU 57 CO 0.49 0.61 0.05 0.78 -0.34 0.00 0.00 178.44 180.04 3i23 h ASN 58 N 1.08 -0.03 -0.63 1.25 -0.26 -1.98 -0.77 115.58 114.24 3i23 h ASN 58 Ca 0.41 0.07 0.13 0.00 -0.56 0.00 0.00 56.30 56.34 3i23 h ASN 58 Cb 0.19 0.10 -0.12 0.00 -1.06 0.00 0.00 38.32 37.43 3i23 h ASN 58 CO -0.16 0.02 -0.11 -0.08 -1.06 0.00 0.00 177.43 176.05 3i23 h GLU 59 N 0.17 0.03 -0.26 0.81 4.81 -1.92 0.86 114.58 119.08 3i23 h GLU 59 Ca 0.17 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3i23 h GLU 59 Cb 0.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3i23 h GLU 59 CO -0.24 0.02 -0.13 1.25 -0.73 0.00 0.00 179.01 179.17 3i23 h LEU 60 N 0.03 0.56 -0.45 1.64 5.85 -1.50 -2.51 115.31 118.94 3i23 h LEU 60 Ca 0.32 -0.41 -0.18 0.00 0.84 0.00 0.00 57.88 58.45 3i23 h LEU 60 Cb 0.50 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3i23 h LEU 60 CO -0.62 0.85 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.57 3i23 h LEU 61 N 0.27 0.47 -0.92 2.25 3.38 -0.49 -3.21 115.31 117.07 3i23 h LEU 61 Ca 0.06 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3i23 h LEU 61 Cb 0.64 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3i23 h LEU 61 CO 0.04 1.02 -0.42 0.71 0.09 0.00 0.00 178.44 179.88 3i23 h THR 62 N 0.28 1.00 -2.05 0.22 1.35 0.68 -3.44 112.91 110.94 3i23 h THR 62 Ca -0.02 -1.62 -0.58 0.00 -0.55 0.00 0.00 66.41 63.63 3i23 h THR 62 Cb 1.25 1.96 0.01 0.00 -1.73 0.00 0.00 68.15 69.64 3i23 h THR 62 CO 0.12 0.41 1.27 -0.67 -0.25 0.00 0.00 175.52 176.40 3i23 n ASP 63 N -3.60 3.55 -0.04 5.36 -0.08 -0.95 -4.86 116.55 115.94 3i23 n ASP 63 Ca -0.00 0.71 0.14 0.00 -1.51 0.00 0.00 54.79 54.13 3i23 n ASP 63 Cb 0.52 -1.46 0.64 0.00 2.34 0.00 0.00 41.12 43.16 3i23 n ASP 63 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i23 n PRO 64 N 7.63 0.37 0.06 -0.67 -0.04 -1.26 -3.52 135.00 137.57 3i23 n PRO 64 Ca 0.25 -0.07 -0.03 0.00 -0.04 0.00 0.00 63.50 63.61 3i23 n PRO 64 Cb 0.37 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 3i23 n PRO 64 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3i23 h GLU 65 N 0.18 0.00 -6.33 0.54 4.81 -1.97 -3.44 114.58 108.36 3i23 h GLU 65 Ca 0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 3i23 h GLU 65 Cb 0.38 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 3i23 h GLU 65 CO 0.00 0.54 0.90 0.42 -0.73 0.00 0.00 179.01 180.14 3i23 s ILE 66 N -2.82 4.35 -0.05 2.32 1.01 -1.23 -4.63 121.20 120.14 3i23 s ILE 66 Ca -0.01 1.54 0.19 0.00 0.00 0.00 0.00 60.65 62.38 3i23 s ILE 66 Cb 0.09 -4.30 -0.30 0.00 0.01 0.00 0.00 42.46 37.96 3i23 s ILE 66 CO 0.80 -0.48 0.37 -1.84 0.00 0.00 0.00 174.94 173.80 3i23 n GLU 67 N 7.05 0.66 -4.51 2.79 0.28 -0.68 -4.82 120.64 121.41 3i23 n GLU 67 Ca 0.13 -0.15 -0.25 0.00 -0.16 0.00 0.00 57.16 56.72 3i23 n GLU 67 Cb 0.47 -1.47 -0.13 0.00 1.43 0.00 0.00 31.44 31.73 3i23 n GLU 67 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3i23 s LEU 68 N -4.54 2.22 -0.04 -1.84 2.96 -0.86 -0.97 118.68 115.61 3i23 s LEU 68 Ca -0.08 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.19 3i23 s LEU 68 Cb 0.12 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.84 3i23 s LEU 68 CO 0.81 0.13 0.13 -0.63 -1.32 0.00 0.00 176.35 175.47 3i23 s ILE 69 N -0.95 0.02 -0.09 6.68 1.01 0.16 -1.56 121.20 126.48 3i23 s ILE 69 Ca 0.08 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.65 3i23 s ILE 69 Cb -0.09 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.15 3i23 s ILE 69 CO 0.03 -0.07 -0.23 -0.89 0.00 0.00 0.00 174.94 173.78 3i23 s THR 70 N -0.18 2.15 -0.34 2.92 2.01 -0.95 -0.50 115.64 120.75 3i23 s THR 70 Ca -0.03 -1.01 -0.11 0.00 0.31 0.00 0.00 61.69 60.86 3i23 s THR 70 Cb -0.02 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.67 3i23 s THR 70 CO 0.00 0.56 0.20 -0.63 -0.69 0.00 0.00 174.62 174.07 3i23 s ILE 71 N 0.14 4.90 -0.11 1.82 1.01 -0.56 0.98 121.20 129.39 3i23 s ILE 71 Ca -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.12 3i23 s ILE 71 Cb -0.16 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3i23 s ILE 71 CO 0.07 -0.03 0.58 0.00 0.00 0.00 0.00 174.94 175.55 3i23 n THR 73 N 0.00 0.00 -0.83 0.00 -2.24 -1.20 -4.77 114.28 105.24 3i23 n THR 73 Ca 0.01 -0.39 -0.34 0.00 -2.27 0.00 0.00 64.05 61.06 3i23 n THR 73 Cb 0.05 -1.18 0.11 0.00 -2.10 0.00 0.00 70.33 67.20 3i23 n THR 73 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3i23 n PRO 74 N -4.93 -0.39 0.08 -0.78 -0.02 -1.26 -4.88 135.00 122.83 3i23 n PRO 74 Ca 0.15 -0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 3i23 n PRO 74 Cb 0.57 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 32.34 3i23 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i23 h ALA 75 N -1.50 -0.14 0.00 3.55 0.00 -1.93 -3.12 119.26 116.12 3i23 h ALA 75 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i23 h ALA 75 Cb 1.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i23 h ALA 75 CO 0.32 -0.55 0.18 1.12 0.00 0.00 0.00 179.25 180.32 3i23 h HIS 76 N -0.20 0.00 0.17 0.00 2.07 -1.95 -2.19 115.15 113.05 3i23 h HIS 76 Ca -0.01 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.18 3i23 h HIS 76 Cb 0.16 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.15 3i23 h HIS 76 CO -0.05 0.00 -1.58 1.79 -3.07 0.00 0.00 177.93 175.01 3i23 h THR 77 N 0.00 1.03 -0.50 6.12 1.35 -1.90 -3.40 112.91 115.61 3i23 h THR 77 Ca 0.00 -2.50 0.20 0.00 -0.55 0.00 0.00 66.41 63.55 3i23 h THR 77 Cb 0.36 2.81 -0.09 0.00 -1.73 0.00 0.00 68.15 69.50 3i23 h THR 77 CO 0.00 0.81 0.23 1.41 -0.25 0.00 0.00 175.52 177.71 3i23 n HIS 78 N -3.73 0.54 0.21 4.73 8.25 -0.83 -2.36 115.22 122.03 3i23 n HIS 78 Ca -0.23 0.59 -0.08 0.00 -0.26 0.00 0.00 57.72 57.73 3i23 n HIS 78 Cb 1.02 -1.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 3i23 n HIS 78 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3i23 h TYR 79 N 0.00 -0.49 -0.60 4.41 -0.00 -1.78 -2.49 116.97 116.02 3i23 h TYR 79 Ca 0.40 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.73 59.08 3i23 h TYR 79 Cb 1.04 0.16 -0.03 0.00 -0.00 0.00 0.00 36.73 37.90 3i23 h TYR 79 CO -0.05 -0.31 0.19 -0.44 -0.00 0.00 0.00 178.16 177.56 3i23 h ASP 80 N -0.61 0.83 -0.03 -2.11 3.32 -1.78 -2.08 116.42 113.95 3i23 h ASP 80 Ca -0.05 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 3i23 h ASP 80 Cb 0.41 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 3i23 h ASP 80 CO 0.09 0.78 0.02 -0.07 -1.72 0.00 0.00 179.24 178.33 3i23 h LEU 81 N 0.88 0.05 -1.35 1.55 3.38 -1.61 0.12 115.31 118.33 3i23 h LEU 81 Ca 0.20 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3i23 h LEU 81 Cb 0.24 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3i23 h LEU 81 CO -0.01 0.17 0.46 0.00 0.09 0.00 0.00 178.44 179.15 3i23 h ALA 82 N 0.88 1.57 -0.02 1.53 0.00 -1.37 0.73 119.26 122.58 3i23 h ALA 82 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3i23 h ALA 82 Cb 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i23 h ALA 82 CO -0.00 0.37 -0.49 -0.22 0.00 0.00 0.00 179.25 178.91 3i23 h LYS 83 N 0.87 0.05 -0.07 0.00 3.64 -0.91 -1.37 116.57 118.78 3i23 h LYS 83 Ca 0.27 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.42 3i23 h LYS 83 Cb -0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i23 h LYS 83 CO -0.07 0.54 -0.79 1.96 -2.27 0.00 0.00 179.45 178.82 3i23 h GLN 84 N 0.04 0.47 0.00 1.90 4.20 0.95 -2.52 115.11 120.16 3i23 h GLN 84 Ca -0.00 -0.41 -0.14 0.00 0.06 0.00 0.00 58.65 58.16 3i23 h GLN 84 Cb 0.89 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 3i23 h GLN 84 CO 0.07 1.05 -0.65 0.00 -0.67 0.00 0.00 178.83 178.62 3i23 h ALA 85 N 0.82 0.87 -0.21 3.87 0.00 -0.69 -1.07 119.26 122.85 3i23 h ALA 85 Ca -0.05 -0.59 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 3i23 h ALA 85 Cb 1.39 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3i23 h ALA 85 CO 0.14 0.82 -0.57 0.82 0.00 0.00 0.00 179.25 180.45 3i23 h ILE 86 N 0.00 1.31 -0.14 0.00 2.04 -1.20 -0.07 117.51 119.44 3i23 h ILE 86 Ca -0.01 -1.81 -0.17 0.00 1.00 0.00 0.00 64.86 63.88 3i23 h ILE 86 Cb 1.19 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 3i23 h ILE 86 CO 0.08 0.57 -0.62 -0.07 0.00 0.00 0.00 178.15 178.11 3i23 h LEU 87 N 0.50 0.56 0.00 1.44 -0.00 -1.33 -2.62 115.31 113.86 3i23 h LEU 87 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 3i23 h LEU 87 Cb 1.15 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 3i23 h LEU 87 CO 0.11 1.04 0.00 0.00 -0.00 0.00 0.00 178.44 179.60 3i23 n ALA 88 N -2.52 2.29 -1.16 1.53 0.00 -0.42 -4.87 120.51 115.37 3i23 n ALA 88 Ca -0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 3i23 n ALA 88 Cb 0.64 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.00 3i23 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i23 n GLY 89 N 0.32 0.81 3.82 0.00 0.00 -0.99 -4.92 105.19 104.24 3i23 n GLY 89 Ca 0.03 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 3i23 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i23 s LYS 90 N -2.33 2.76 0.28 1.61 3.01 -0.05 -4.98 119.74 120.05 3i23 s LYS 90 Ca 0.00 -1.22 -0.10 0.00 -1.01 0.00 0.00 55.97 53.64 3i23 s LYS 90 Cb 0.00 -2.48 -0.07 0.00 -1.01 0.00 0.00 37.83 34.27 3i23 s LYS 90 CO 0.00 0.23 0.62 -1.12 0.51 0.00 0.00 175.35 175.58 3i23 s SER 91 N -3.91 6.62 0.00 2.83 0.01 -0.14 -4.25 113.70 114.86 3i23 s SER 91 Ca 0.37 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.63 3i23 s SER 91 Cb -0.06 -2.26 -0.00 0.00 0.21 0.00 0.00 66.02 63.90 3i23 s SER 91 CO 0.25 -0.16 -0.02 0.68 0.41 0.00 0.00 173.24 174.41 3i23 s VAL 92 N -1.96 0.12 -0.18 3.43 -7.23 -0.94 -0.66 120.40 112.97 3i23 s VAL 92 Ca 0.49 -0.23 -0.04 0.00 -1.81 0.00 0.00 61.98 60.39 3i23 s VAL 92 Cb -0.11 -0.14 -0.02 0.00 0.56 0.00 0.00 36.38 36.67 3i23 s VAL 92 CO 0.23 -0.07 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.29 3i23 s ILE 93 N -0.31 3.86 -0.16 -0.62 -1.09 0.34 -4.46 121.20 118.77 3i23 s ILE 93 Ca -0.03 -0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3i23 s ILE 93 Cb -0.02 -2.72 0.01 0.00 -1.58 0.00 0.00 42.46 38.14 3i23 s ILE 93 CO -0.00 0.45 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.27 3i23 s VAL 94 N 0.79 2.18 0.62 2.92 1.01 -1.26 -1.49 120.40 125.17 3i23 s VAL 94 Ca -0.01 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 3i23 s VAL 94 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3i23 s VAL 94 CO 0.02 0.54 1.15 -1.61 0.00 0.00 0.00 175.10 175.20 3i23 s GLU 95 N 0.98 2.89 0.41 2.72 2.02 -1.16 -0.29 118.70 126.27 3i23 s GLU 95 Ca -0.03 1.59 -0.25 0.00 0.02 0.00 0.00 54.97 56.30 3i23 s GLU 95 Cb -0.15 -1.94 -0.08 0.00 0.10 0.00 0.00 34.13 32.06 3i23 s GLU 95 CO -0.05 -1.22 1.25 -1.59 0.02 0.00 0.00 175.26 173.68 3i23 s LYS 96 N -3.69 3.94 0.06 1.61 -2.85 -1.26 -3.46 119.74 114.09 3i23 s LYS 96 Ca 0.72 2.03 -0.30 0.00 -1.00 0.00 0.00 55.97 57.42 3i23 s LYS 96 Cb -0.25 -2.68 -0.05 0.00 -2.06 0.00 0.00 37.83 32.80 3i23 s LYS 96 CO 0.36 -0.48 0.96 -1.25 0.10 0.00 0.00 175.35 175.05 3i23 s PRO 97 N -2.32 4.64 0.17 1.78 0.04 -1.26 -4.90 135.00 133.14 3i23 s PRO 97 Ca 0.58 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.85 3i23 s PRO 97 Cb -0.35 -3.41 0.08 0.00 0.04 0.00 0.00 34.50 30.86 3i23 s PRO 97 CO 0.44 0.10 1.63 0.35 0.04 0.00 0.00 177.00 179.56 3i23 h PHE 98 N 6.09 -0.61 -4.21 0.56 3.57 -1.82 -3.45 116.94 117.08 3i23 h PHE 98 Ca -0.42 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 60.98 3i23 h PHE 98 Cb 1.21 0.32 -0.14 0.00 2.79 0.00 0.00 35.95 40.13 3i23 h PHE 98 CO 0.66 -0.31 -0.57 0.00 -2.23 0.00 0.00 178.31 175.86 3i23 h ASP 100 N 2.87 0.00 -5.42 0.00 2.03 -1.92 -3.47 116.42 110.52 3i23 h ASP 100 Ca -0.34 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.78 3i23 h ASP 100 Cb 1.19 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.54 3i23 h ASP 100 CO 0.59 0.62 -0.60 0.42 -1.03 0.00 0.00 179.24 179.23 3i23 s THR 101 N -3.14 0.09 0.11 1.15 -4.23 -1.26 -5.05 115.64 103.31 3i23 s THR 101 Ca 0.02 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 58.53 3i23 s THR 101 Cb 0.10 -2.06 -0.07 0.00 1.34 0.00 0.00 72.50 71.80 3i23 s THR 101 CO 0.75 -0.40 1.44 0.25 -0.54 0.00 0.00 174.62 176.12 3i23 h LEU 102 N 2.80 0.78 -0.18 4.79 5.85 -1.90 -0.91 115.31 126.54 3i23 h LEU 102 Ca -0.35 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 57.95 3i23 h LEU 102 Cb 1.21 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3i23 h LEU 102 CO 0.57 1.08 -0.07 -0.33 -0.34 0.00 0.00 178.44 179.35 3i23 h GLU 103 N 0.50 -0.04 0.01 1.25 5.08 -2.00 -1.33 114.58 118.06 3i23 h GLU 103 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3i23 h GLU 103 Cb 0.84 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3i23 h GLU 103 CO 0.07 -0.03 -0.01 0.45 -1.00 0.00 0.00 179.01 178.50 3i23 h HIS 104 N -0.04 -0.02 -0.65 4.33 3.86 -1.95 -2.87 115.15 117.81 3i23 h HIS 104 Ca 0.09 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.44 3i23 h HIS 104 Cb 0.19 0.01 -0.12 0.00 1.06 0.00 0.00 27.41 28.54 3i23 h HIS 104 CO -0.23 0.05 -0.08 0.00 0.86 0.00 0.00 177.93 178.53 3i23 h ALA 105 N 0.91 0.54 -0.95 2.45 0.00 -0.67 0.30 119.26 121.84 3i23 h ALA 105 Ca -0.00 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3i23 h ALA 105 Cb 0.07 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3i23 h ALA 105 CO 0.00 -0.42 0.63 0.93 0.00 0.00 0.00 179.25 180.39 3i23 h GLU 106 N 0.05 1.22 -0.73 0.00 5.08 -1.20 -2.33 114.58 116.67 3i23 h GLU 106 Ca 0.33 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 3i23 h GLU 106 Cb 0.53 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 3i23 h GLU 106 CO -0.61 0.80 0.45 1.49 -1.00 0.00 0.00 179.01 180.14 3i23 h GLU 107 N 1.25 0.84 0.06 2.33 4.81 -0.73 -1.18 114.58 121.96 3i23 h GLU 107 Ca 0.36 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3i23 h GLU 107 Cb -0.08 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.11 3i23 h GLU 107 CO -0.10 0.56 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.64 3i23 h LEU 108 N 0.87 -0.07 -1.81 1.64 4.07 -0.85 0.32 115.31 119.47 3i23 h LEU 108 Ca 0.30 -0.17 0.09 0.00 0.08 0.00 0.00 57.88 58.18 3i23 h LEU 108 Cb 0.05 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 3i23 h LEU 108 CO -0.13 0.13 0.31 -0.26 -1.08 0.00 0.00 178.44 177.41 3i23 h PHE 109 N -0.27 0.22 0.47 1.13 0.04 -1.30 0.58 116.94 117.81 3i23 h PHE 109 Ca -0.01 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3i23 h PHE 109 Cb 0.23 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3i23 h PHE 109 CO -0.01 0.11 -0.22 0.00 -0.60 0.00 0.00 178.31 177.58 3i23 h ALA 110 N 1.77 -0.77 -0.93 2.45 0.00 -0.50 -0.35 119.26 120.92 3i23 h ALA 110 Ca 0.21 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.18 3i23 h ALA 110 Cb 0.55 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 3i23 h ALA 110 CO -0.04 -0.72 0.61 -0.07 0.00 0.00 0.00 179.25 179.03 3i23 h LEU 111 N -0.93 0.51 -0.33 0.00 3.38 0.13 0.80 115.31 118.87 3i23 h LEU 111 Ca -0.06 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i23 h LEU 111 Cb 0.48 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3i23 h LEU 111 CO 0.11 0.20 0.04 1.23 0.09 0.00 0.00 178.44 180.10 3i23 h GLY 112 N 0.50 0.59 1.98 0.83 0.00 0.18 0.22 103.07 107.38 3i23 h GLY 112 Ca 0.50 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 3i23 h GLY 112 CO -0.23 0.38 -0.21 0.06 0.00 0.00 0.00 176.54 176.54 3i23 h GLN 113 N 0.37 0.02 0.00 4.80 -0.00 0.13 0.22 115.11 120.65 3i23 h GLN 113 Ca 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 3i23 h GLN 113 Cb 0.37 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 3i23 h GLN 113 CO 0.01 0.24 0.00 -1.91 -0.00 0.00 0.00 178.83 177.16 3i23 n GLU 114 N -4.28 0.00 0.12 0.06 4.07 0.24 -3.30 120.64 117.56 3i23 n GLU 114 Ca -0.02 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.14 3i23 n GLU 114 Cb 0.28 -0.83 0.31 0.00 -0.06 0.00 0.00 31.44 31.14 3i23 n GLU 114 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3i23 n LYS 115 N -0.41 0.08 -1.88 5.31 4.76 -0.04 -4.82 118.16 121.14 3i23 n LYS 115 Ca 0.00 0.53 -0.03 0.00 -2.87 0.00 0.00 58.31 55.94 3i23 n LYS 115 Cb 0.00 -1.93 0.01 0.00 -1.84 0.00 0.00 35.03 31.27 3i23 n LYS 115 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i23 n GLY 116 N -1.31 0.49 3.18 0.72 0.00 -0.11 -5.05 105.19 103.11 3i23 n GLY 116 Ca -0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 3i23 n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i23 s VAL 117 N -3.08 0.09 0.26 1.61 -7.23 -0.22 -5.03 120.40 106.79 3i23 s VAL 117 Ca 0.08 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 3i23 s VAL 117 Cb -0.01 -0.69 -0.09 0.00 0.56 0.00 0.00 36.38 36.14 3i23 s VAL 117 CO 0.15 -0.39 1.16 -0.69 -0.31 0.00 0.00 175.10 175.02 3i23 s VAL 118 N -1.89 3.39 0.03 1.32 1.01 -1.26 -4.35 120.40 118.65 3i23 s VAL 118 Ca -0.10 1.32 0.02 0.00 0.00 0.00 0.00 61.98 63.22 3i23 s VAL 118 Cb -0.04 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3i23 s VAL 118 CO -0.00 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.62 3i23 s VAL 119 N -0.80 0.52 0.04 2.92 1.01 -1.26 -2.22 120.40 120.61 3i23 s VAL 119 Ca 0.48 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 3i23 s VAL 119 Cb -0.33 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3i23 s VAL 119 CO 0.41 -0.25 0.34 -2.16 0.00 0.00 0.00 175.10 173.45 3i23 s PRO 121 N -1.20 3.69 -0.43 2.72 0.04 -1.26 -4.94 135.00 133.61 3i23 s PRO 121 Ca -0.07 0.08 -0.29 0.00 0.04 0.00 0.00 61.00 60.77 3i23 s PRO 121 Cb -0.08 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.42 3i23 s PRO 121 CO 0.00 0.61 1.47 -0.47 0.04 0.00 0.00 177.00 178.65 3i23 s TYR 122 N -1.33 2.30 -0.75 0.56 5.04 0.61 -4.79 117.35 118.98 3i23 s TYR 122 Ca 0.30 0.64 0.03 0.00 -2.44 0.00 0.00 57.07 55.60 3i23 s TYR 122 Cb -0.14 -4.30 0.22 0.00 0.35 0.00 0.00 41.96 38.09 3i23 s TYR 122 CO 0.17 -2.09 0.73 1.04 -1.34 0.00 0.00 175.55 174.05 3i23 n GLN 123 N 8.24 2.47 0.18 4.97 1.13 -1.26 -4.62 117.38 128.49 3i23 n GLN 123 Ca 0.17 -4.57 0.04 0.00 -1.94 0.00 0.00 57.00 50.70 3i23 n GLN 123 Cb 0.48 -2.32 0.34 0.00 0.11 0.00 0.00 30.24 28.85 3i23 n GLN 123 CO 0.00 0.00 0.00 -2.95 -1.44 0.00 0.00 177.06 172.67 3i23 h ASN 124 N 5.07 0.00 0.05 1.08 -1.07 -1.91 -3.22 115.58 115.57 3i23 h ASN 124 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.54 3i23 h ASN 124 Cb 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 3i23 h ASN 124 CO 0.84 0.41 0.00 0.54 0.07 0.00 0.00 177.43 179.29 3i23 n ARG 125 N -3.80 0.25 -0.00 4.14 5.12 -1.26 -0.78 116.66 120.32 3i23 n ARG 125 Ca -0.01 0.06 0.15 0.00 -1.93 0.00 0.00 57.85 56.12 3i23 n ARG 125 Cb 0.47 -1.50 0.81 0.00 -1.16 0.00 0.00 32.46 31.08 3i23 n ARG 125 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i23 n ARG 126 N -1.08 1.16 -0.33 5.56 1.74 -1.22 -2.77 116.66 119.73 3i23 n ARG 126 Ca 0.06 -0.24 0.08 0.00 -0.77 0.00 0.00 57.85 56.98 3i23 n ARG 126 Cb 0.04 -1.47 0.14 0.00 -1.02 0.00 0.00 32.46 30.15 3i23 n ARG 126 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i23 n PHE 127 N -0.69 0.00 -2.67 -1.55 3.72 0.04 -4.74 117.46 111.56 3i23 n PHE 127 Ca 0.22 -1.05 -0.40 0.00 -0.05 0.00 0.00 57.45 56.17 3i23 n PHE 127 Cb 0.16 -0.17 -0.05 0.00 -0.94 0.00 0.00 39.48 38.48 3i23 n PHE 127 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i23 s ASP 128 N -2.79 7.51 0.19 4.37 1.01 -1.11 -2.79 116.67 123.06 3i23 s ASP 128 Ca 0.31 1.99 -0.11 0.00 0.71 0.00 0.00 52.55 55.45 3i23 s ASP 128 Cb 0.29 -2.61 0.22 0.00 1.01 0.00 0.00 42.92 41.83 3i23 s ASP 128 CO -0.01 0.02 1.74 1.23 0.21 0.00 0.00 175.17 178.36 3i23 h GLY 129 N 4.48 0.73 1.75 0.21 0.00 -1.84 -0.57 103.07 107.82 3i23 h GLY 129 Ca -0.45 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 3i23 h GLY 129 CO 0.69 -0.02 -0.42 1.29 0.00 0.00 0.00 176.54 178.08 3i23 h ASP 130 N 0.35 0.29 -0.18 0.19 2.03 -1.88 0.02 116.42 117.24 3i23 h ASP 130 Ca 0.27 -0.12 -0.14 0.00 -0.73 0.00 0.00 57.03 56.30 3i23 h ASP 130 Cb 0.33 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 3i23 h ASP 130 CO -0.29 0.68 -0.40 0.22 -1.03 0.00 0.00 179.24 178.42 3i23 h TYR 131 N 0.23 0.86 -0.29 4.15 3.20 -1.77 -3.04 116.97 120.31 3i23 h TYR 131 Ca 0.02 -0.25 -0.15 0.00 3.14 0.00 0.00 58.73 61.49 3i23 h TYR 131 Cb 0.84 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3i23 h TYR 131 CO 0.02 1.00 -0.42 -0.07 -1.64 0.00 0.00 178.16 177.05 3i23 h LEU 132 N 0.59 0.76 -1.46 2.82 3.38 -0.85 0.13 115.31 120.67 3i23 h LEU 132 Ca 0.05 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3i23 h LEU 132 Cb 0.94 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3i23 h LEU 132 CO 0.09 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.69 3i23 n ALA 133 N -2.52 1.61 0.00 1.53 0.00 -0.03 -0.82 120.51 120.28 3i23 n ALA 133 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i23 n ALA 133 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3i23 n ALA 133 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i23 n LYS 135 N 0.58 0.00 -0.19 0.00 4.81 0.03 -3.16 118.16 120.23 3i23 n LYS 135 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 3i23 n LYS 135 Cb 0.11 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.26 3i23 n LYS 135 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3i23 h GLN 136 N 0.00 0.37 -0.41 1.64 4.15 -1.24 -1.44 115.11 118.18 3i23 h GLN 136 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 3i23 h GLN 136 Cb 0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3i23 h GLN 136 CO 0.00 0.24 0.10 0.28 -1.93 0.00 0.00 178.83 177.52 3i23 h VAL 137 N 0.38 1.23 -0.23 2.39 2.07 -1.79 -1.43 116.25 118.86 3i23 h VAL 137 Ca 0.29 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 3i23 h VAL 137 Cb 0.36 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3i23 h VAL 137 CO -0.30 0.28 -0.15 0.58 0.02 0.00 0.00 177.57 177.99 3i23 h VAL 138 N 0.52 1.22 0.07 2.57 2.07 -1.80 -2.48 116.25 118.42 3i23 h VAL 138 Ca 0.13 -0.99 -0.24 0.00 0.82 0.00 0.00 66.70 66.42 3i23 h VAL 138 Cb 0.31 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3i23 h VAL 138 CO 0.00 0.32 -1.09 -0.33 0.02 0.00 0.00 177.57 176.49 3i23 h GLU 139 N 0.35 0.26 -0.02 1.57 5.08 -1.09 -3.16 114.58 117.57 3i23 h GLU 139 Ca 0.07 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 3i23 h GLU 139 Cb 0.48 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3i23 h GLU 139 CO 0.03 1.12 -0.45 1.96 -1.00 0.00 0.00 179.01 180.67 3i23 h GLN 140 N 0.11 0.05 0.00 2.33 4.20 -1.16 -3.47 115.11 117.17 3i23 h GLN 140 Ca -0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.59 3i23 h GLN 140 Cb 1.78 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.56 3i23 h GLN 140 CO 0.18 0.50 0.00 0.41 -0.67 0.00 0.00 178.83 179.24 3i23 n GLY 141 N -0.20 0.90 0.37 3.46 0.00 -0.94 -5.00 105.19 103.77 3i23 n GLY 141 Ca -0.02 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 3i23 n GLY 141 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i23 h PHE 142 N 0.00 -0.91 0.00 1.61 0.04 -1.87 -3.18 116.94 112.64 3i23 h PHE 142 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3i23 h PHE 142 Cb 0.65 0.33 0.00 0.00 2.20 0.00 0.00 35.95 39.14 3i23 h PHE 142 CO 0.00 -0.51 0.00 1.28 -0.60 0.00 0.00 178.31 178.48 3i23 n LEU 143 N -5.47 0.03 0.00 1.54 4.77 -1.26 -4.71 117.00 111.90 3i23 n LEU 143 Ca -0.11 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3i23 n LEU 143 Cb 0.36 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3i23 n LEU 143 CO 0.32 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3i23 n GLY 144 N 0.31 3.26 3.56 -0.72 0.00 -1.20 -0.73 105.19 109.66 3i23 n GLY 144 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3i23 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i23 s GLU 145 N 0.00 3.55 -0.05 1.61 2.02 -1.26 -4.77 118.70 119.79 3i23 s GLU 145 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.67 3i23 s GLU 145 Cb 0.00 -3.87 -0.03 0.00 0.10 0.00 0.00 34.13 30.33 3i23 s GLU 145 CO 0.00 -0.90 1.21 0.42 0.02 0.00 0.00 175.26 176.01 3i23 s ILE 146 N 2.95 4.23 -0.25 -1.63 1.09 -1.26 -1.04 121.20 125.29 3i23 s ILE 146 Ca 0.27 1.56 0.21 0.00 -1.10 0.00 0.00 60.65 61.58 3i23 s ILE 146 Cb -0.14 -4.00 -0.30 0.00 -1.06 0.00 0.00 42.46 36.97 3i23 s ILE 146 CO 0.18 -0.00 0.55 -0.46 -0.10 0.00 0.00 174.94 175.11 3i23 n ASN 147 N 5.23 0.42 -3.56 3.58 0.23 -0.09 -4.41 115.26 116.66 3i23 n ASN 147 Ca 0.11 -0.24 -0.14 0.00 -0.53 0.00 0.00 54.58 53.79 3i23 n ASN 147 Cb 0.46 1.72 -0.06 0.00 -2.08 0.00 0.00 39.78 39.82 3i23 n ASN 147 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 3i23 s GLU 148 N -3.31 0.81 -0.03 -3.83 2.12 -1.20 -2.06 118.70 111.19 3i23 s GLU 148 Ca -0.04 0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.61 3i23 s GLU 148 Cb 0.14 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.94 3i23 s GLU 148 CO 0.85 -0.23 0.04 0.08 -0.54 0.00 0.00 175.26 175.47 3i23 s VAL 149 N -0.86 -0.08 -0.18 3.70 1.01 -0.66 -1.86 120.40 121.48 3i23 s VAL 149 Ca -0.05 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3i23 s VAL 149 Cb -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.28 3i23 s VAL 149 CO 0.04 0.12 -0.20 -0.70 0.00 0.00 0.00 175.10 174.36 3i23 s GLU 150 N 1.42 2.95 -0.10 2.72 2.12 0.08 -0.16 118.70 127.74 3i23 s GLU 150 Ca -0.05 -0.85 0.03 0.00 0.36 0.00 0.00 54.97 54.46 3i23 s GLU 150 Cb -0.13 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 3i23 s GLU 150 CO -0.03 -0.23 -0.22 -0.08 -0.54 0.00 0.00 175.26 174.16 3i23 s THR 151 N 1.28 2.29 0.41 -1.70 -1.32 -0.48 -0.66 115.64 115.47 3i23 s THR 151 Ca 0.04 -0.95 0.05 0.00 -1.21 0.00 0.00 61.69 59.63 3i23 s THR 151 Cb -0.13 -1.89 -0.07 0.00 -1.51 0.00 0.00 72.50 68.90 3i23 s THR 151 CO -0.13 0.56 0.02 -1.00 -2.21 0.00 0.00 174.62 171.86 3i23 s HIS 152 N 0.23 2.31 -0.41 9.09 3.76 -0.76 -1.48 115.29 128.02 3i23 s HIS 152 Ca -0.14 -0.78 0.01 0.00 -0.15 0.00 0.00 55.06 54.00 3i23 s HIS 152 Cb -0.17 -1.65 0.19 0.00 1.11 0.00 0.00 32.58 32.06 3i23 s HIS 152 CO 0.07 0.32 0.85 0.42 -0.85 0.00 0.00 174.74 175.55 3i23 s ILE 153 N -2.85 -0.66 0.51 0.60 1.01 -0.92 -4.93 121.20 113.96 3i23 s ILE 153 Ca 0.31 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.68 3i23 s ILE 153 Cb 0.08 0.00 0.02 0.00 0.01 0.00 0.00 42.46 42.57 3i23 s ILE 153 CO 0.15 0.00 0.40 -1.81 0.00 0.00 0.00 174.94 173.68 3i23 s ASP 154 N 1.39 4.72 0.17 3.58 1.01 -1.26 -3.97 116.67 122.31 3i23 s ASP 154 Ca 0.21 -1.11 -0.18 0.00 0.71 0.00 0.00 52.55 52.19 3i23 s ASP 154 Cb 0.02 0.12 0.04 0.00 1.01 0.00 0.00 42.92 44.11 3i23 s ASP 154 CO -0.09 -0.97 0.50 -0.31 0.21 0.00 0.00 175.17 174.51 3i23 s TYR 155 N -2.69 -0.22 -0.77 4.23 2.02 0.02 -4.93 117.35 115.00 3i23 s TYR 155 Ca 0.39 -0.09 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 3i23 s TYR 155 Cb -0.02 0.38 0.19 0.00 -0.40 0.00 0.00 41.96 42.11 3i23 s TYR 155 CO 0.24 -0.84 0.59 -0.47 -1.57 0.00 0.00 175.55 173.50 3i23 s TYR 156 N -3.83 3.69 -0.45 2.71 5.04 -1.25 -0.97 117.35 122.29 3i23 s TYR 156 Ca 0.06 -3.23 0.09 0.00 -2.44 0.00 0.00 57.07 51.55 3i23 s TYR 156 Cb -0.00 -2.90 0.36 0.00 0.35 0.00 0.00 41.96 39.76 3i23 s TYR 156 CO -0.08 -0.62 0.85 0.54 -1.34 0.00 0.00 175.55 174.91 3i23 n ARG 157 N 2.12 2.00 -1.99 4.97 1.74 0.39 -4.94 116.66 120.95 3i23 n ARG 157 Ca 0.20 -4.01 -0.39 0.00 -0.77 0.00 0.00 57.85 52.89 3i23 n ARG 157 Cb 0.36 -1.91 0.01 0.00 -1.02 0.00 0.00 32.46 29.89 3i23 n ARG 157 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i23 s PRO 158 N -2.94 3.63 -0.65 5.56 0.04 -1.06 -2.89 135.00 136.69 3i23 s PRO 158 Ca 0.43 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3i23 s PRO 158 Cb 0.33 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3i23 s PRO 158 CO -0.10 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.59 3i23 n GLY 159 N 0.62 0.85 0.13 0.56 0.00 -1.26 -4.93 105.19 101.16 3i23 n GLY 159 Ca 0.07 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.10 3i23 n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i23 n SER 160 N 0.92 1.95 -4.47 1.61 3.41 -1.14 -4.75 113.62 111.15 3i23 n SER 160 Ca -0.06 0.27 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 3i23 n SER 160 Cb 0.21 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.33 3i23 n SER 160 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i23 s ILE 161 N -2.48 4.36 0.00 -1.33 1.01 -1.26 -4.77 121.20 116.73 3i23 s ILE 161 Ca -0.34 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3i23 s ILE 161 Cb 0.11 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.83 3i23 s ILE 161 CO 0.56 -1.53 0.25 0.35 0.00 0.00 0.00 174.94 174.56 3i23 n THR 162 N 5.91 0.00 -4.44 2.92 -2.24 -1.26 -4.72 114.28 110.45 3i23 n THR 162 Ca 0.06 -0.49 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 3i23 n THR 162 Cb 0.47 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.60 3i23 n THR 162 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i23 s GLU 163 N -0.49 1.63 0.62 -0.78 2.02 -1.26 -4.71 118.70 115.73 3i23 s GLU 163 Ca 0.00 -1.63 -0.11 0.00 0.02 0.00 0.00 54.97 53.25 3i23 s GLU 163 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 3i23 s GLU 163 CO 0.00 0.37 1.03 -0.65 0.02 0.00 0.00 175.26 176.03 3i23 s GLN 164 N -3.08 3.61 0.00 1.61 -0.21 -1.26 -0.00 119.66 120.33 3i23 s GLN 164 Ca 0.25 0.76 0.00 0.00 0.02 0.00 0.00 55.36 56.39 3i23 s GLN 164 Cb -0.07 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.86 3i23 s GLN 164 CO 0.13 -0.56 0.00 0.41 -2.12 0.00 0.00 175.29 173.15 3i23 n GLY 165 N -2.69 -0.80 3.70 3.09 0.00 -1.26 -4.75 105.19 102.48 3i23 n GLY 165 Ca 0.06 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 3i23 n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i23 s PRO 166 N -2.00 1.20 0.45 1.61 0.04 -1.26 -4.75 135.00 130.29 3i23 s PRO 166 Ca 0.00 0.95 0.12 0.00 0.04 0.00 0.00 61.00 62.10 3i23 s PRO 166 Cb 0.00 -1.79 1.02 0.00 0.04 0.00 0.00 34.50 33.77 3i23 s PRO 166 CO 0.00 -2.31 2.06 1.57 0.04 0.00 0.00 177.00 178.36 3i23 h LYS 167 N -1.61 0.35 0.00 4.56 2.10 -2.01 -1.43 116.57 118.54 3i23 h LYS 167 Ca -0.49 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3i23 h LYS 167 Cb 1.28 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3i23 h LYS 167 CO 0.52 0.23 0.09 0.93 -2.00 0.00 0.00 179.45 179.23 3i23 h GLU 168 N 0.36 0.00 -0.01 0.07 3.07 -1.97 -0.20 114.58 115.89 3i23 h GLU 168 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3i23 h GLU 168 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3i23 h GLU 168 CO -0.03 0.00 -0.17 0.09 -1.40 0.00 0.00 179.01 177.49 3i23 n ASN 169 N -2.87 1.17 -3.95 1.42 4.13 -0.54 -4.48 115.26 110.14 3i23 n ASN 169 Ca -0.02 -1.08 -0.20 0.00 1.68 0.00 0.00 54.58 54.96 3i23 n ASN 169 Cb 0.15 0.09 0.11 0.00 -1.54 0.00 0.00 39.78 38.59 3i23 n ASN 169 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i23 n GLY 170 N 1.29 0.18 0.09 7.41 0.00 -0.09 -4.93 105.19 109.13 3i23 n GLY 170 Ca 0.14 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3i23 n GLY 170 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i23 h SER 171 N -0.70 0.16 -0.98 1.61 0.02 -1.65 -2.08 113.55 109.93 3i23 h SER 171 Ca -0.29 -0.35 0.12 0.00 -0.84 0.00 0.00 61.79 60.43 3i23 h SER 171 Cb 0.99 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.40 3i23 h SER 171 CO 0.28 0.47 0.62 0.15 -1.14 0.00 0.00 176.83 177.21 3i23 h PHE 172 N -0.15 1.09 0.02 3.45 3.57 -1.89 1.05 116.94 124.08 3i23 h PHE 172 Ca 0.02 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.33 3i23 h PHE 172 Cb 0.40 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 3i23 h PHE 172 CO 0.05 0.44 -0.96 1.88 -2.23 0.00 0.00 178.31 177.49 3i23 h TYR 173 N 0.95 0.48 0.00 0.41 -1.99 -1.78 -0.35 116.97 114.70 3i23 h TYR 173 Ca 0.48 -0.27 -0.11 0.00 2.00 0.00 0.00 58.73 60.83 3i23 h TYR 173 Cb 0.50 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.16 3i23 h TYR 173 CO -0.00 1.10 -1.55 0.41 -0.00 0.00 0.00 178.16 178.12 3i23 n GLY 174 N 1.00 -1.20 0.00 3.88 0.00 -0.78 -4.40 105.19 103.68 3i23 n GLY 174 Ca -0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i23 n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i23 n LEU 175 N -2.67 1.07 0.22 0.99 4.77 0.36 -4.72 117.00 117.02 3i23 n LEU 175 Ca -0.08 -0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.99 3i23 n LEU 175 Cb 0.73 -0.00 0.49 0.00 -2.33 0.00 0.00 43.42 42.32 3i23 n LEU 175 CO 0.43 0.18 0.81 1.23 -1.33 0.00 0.00 177.39 178.72 3i23 h GLY 176 N 0.04 0.00 1.86 -0.72 0.00 -0.55 -2.90 103.07 100.80 3i23 h GLY 176 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 3i23 h GLY 176 CO -0.00 0.00 -0.32 1.19 0.00 0.00 0.00 176.54 177.41 3i23 h ILE 177 N 0.00 1.26 0.22 2.60 2.10 -1.68 -3.12 117.51 118.89 3i23 h ILE 177 Ca -0.00 -1.24 -0.31 0.00 1.08 0.00 0.00 64.86 64.38 3i23 h ILE 177 Cb 0.67 1.56 0.03 0.00 -1.09 0.00 0.00 36.82 37.99 3i23 h ILE 177 CO 0.03 0.37 -1.43 0.45 -1.08 0.00 0.00 178.15 176.49 3i23 h HIS 178 N 0.14 0.84 0.00 2.19 3.86 -1.81 -2.66 115.15 117.72 3i23 h HIS 178 Ca 0.02 -0.61 0.00 0.00 -1.16 0.00 0.00 60.37 58.62 3i23 h HIS 178 Cb 0.64 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.08 3i23 h HIS 178 CO 0.01 1.55 0.00 1.28 0.86 0.00 0.00 177.93 181.63 3i23 n LEU 179 N -3.77 0.09 0.00 2.43 4.77 -1.12 -3.10 117.00 116.29 3i23 n LEU 179 Ca -0.18 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3i23 n LEU 179 Cb 1.04 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 3i23 n LEU 179 CO 0.56 0.02 0.00 -0.67 -1.33 0.00 0.00 177.39 175.97 3i23 n ASP 181 N -0.23 0.00 -1.37 -1.43 2.03 -1.00 -4.77 116.55 109.78 3i23 n ASP 181 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i23 n ASP 181 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 3i23 n ASP 181 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 3i23 n ARG 182 N 0.00 0.72 0.00 -0.67 1.85 -1.18 -1.28 116.66 116.10 3i23 n ARG 182 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i23 n ARG 182 Cb 0.00 -1.14 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 3i23 n ARG 182 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3i23 n ILE 184 N 1.22 0.00 0.29 8.89 2.08 -1.26 -3.54 119.36 127.03 3i23 n ILE 184 Ca 0.00 0.00 0.17 0.00 0.56 0.00 0.00 62.75 63.48 3i23 n ILE 184 Cb 0.36 0.00 0.82 0.00 -0.75 0.00 0.00 39.64 40.07 3i23 n ILE 184 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i23 h ALA 185 N 0.00 1.09 0.00 -1.39 0.00 -1.49 0.12 119.26 117.59 3i23 h ALA 185 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 3i23 h ALA 185 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3i23 h ALA 185 CO 0.00 0.07 -2.30 -0.11 0.00 0.00 0.00 179.25 176.91 3i23 n LEU 186 N -3.27 2.41 -0.00 0.00 7.94 -1.23 -4.67 117.00 118.17 3i23 n LEU 186 Ca -0.01 -0.10 0.06 0.00 -1.11 0.00 0.00 56.01 54.85 3i23 n LEU 186 Cb 0.24 -0.57 -0.08 0.00 0.53 0.00 0.00 43.42 43.54 3i23 n LEU 186 CO 0.27 0.81 -0.26 0.49 -1.11 0.00 0.00 177.39 177.59 3i23 n PHE 187 N -3.08 0.00 -1.83 1.96 3.72 -1.24 -5.11 117.46 111.88 3i23 n PHE 187 Ca -0.39 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 3i23 n PHE 187 Cb 0.96 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 3i23 n PHE 187 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i23 n GLY 188 N 1.47 -1.74 3.67 1.37 0.00 0.42 -4.91 105.19 105.47 3i23 n GLY 188 Ca 0.01 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 3i23 n GLY 188 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i23 s ARG 189 N 0.00 4.30 0.95 1.61 3.52 -1.26 -4.47 118.95 123.60 3i23 s ARG 189 Ca 0.00 1.48 -0.13 0.00 -0.13 0.00 0.00 55.73 56.95 3i23 s ARG 189 Cb 0.00 -3.64 0.16 0.00 -1.56 0.00 0.00 34.95 29.91 3i23 s ARG 189 CO 0.00 -0.56 1.15 -1.25 -0.81 0.00 0.00 175.30 173.83 3i23 s PRO 190 N 2.89 0.82 -0.13 5.12 0.04 -1.26 -5.00 135.00 137.48 3i23 s PRO 190 Ca 0.49 0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.65 3i23 s PRO 190 Cb -0.19 -1.81 -0.25 0.00 0.04 0.00 0.00 34.50 32.29 3i23 s PRO 190 CO 0.13 -2.40 0.36 -0.44 0.04 0.00 0.00 177.00 174.69 3i23 h ASP 191 N -1.64 0.37 -5.22 6.66 3.32 -1.41 -3.44 116.42 115.05 3i23 h ASP 191 Ca -0.50 -0.89 -0.10 0.00 0.02 0.00 0.00 57.03 55.56 3i23 h ASP 191 Cb 1.32 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 3i23 h ASP 191 CO 0.57 1.80 -0.40 0.00 -1.72 0.00 0.00 179.24 179.49 3i23 s GLN 192 N -2.53 0.94 -0.01 3.56 -2.07 -1.23 -1.04 119.66 117.29 3i23 s GLN 192 Ca -0.23 -1.10 0.00 0.00 -1.82 0.00 0.00 55.36 52.22 3i23 s GLN 192 Cb 0.06 0.33 0.01 0.00 -1.09 0.00 0.00 33.01 32.32 3i23 s GLN 192 CO 0.75 -0.31 -0.00 0.08 -1.32 0.00 0.00 175.29 174.49 3i23 s VAL 193 N -3.92 0.07 0.06 3.63 1.01 0.21 -0.87 120.40 120.59 3i23 s VAL 193 Ca 0.11 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3i23 s VAL 193 Cb 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.29 3i23 s VAL 193 CO -0.06 0.05 -0.06 0.42 0.00 0.00 0.00 175.10 175.45 3i23 s THR 194 N 0.25 3.69 -0.02 3.92 -4.23 -0.88 0.12 115.64 118.50 3i23 s THR 194 Ca -0.02 -0.97 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 3i23 s THR 194 Cb -0.04 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 3i23 s THR 194 CO -0.01 0.24 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.82 3i23 s TYR 195 N -1.15 1.67 -0.37 3.99 2.02 0.13 -2.33 117.35 121.32 3i23 s TYR 195 Ca 0.21 -0.35 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 3i23 s TYR 195 Cb -0.11 -1.08 0.14 0.00 -0.40 0.00 0.00 41.96 40.50 3i23 s TYR 195 CO 0.12 -0.06 0.22 0.34 -1.57 0.00 0.00 175.55 174.61 3i23 s ASP 196 N -0.34 2.94 -0.10 2.29 2.15 -0.83 -1.64 116.67 121.14 3i23 s ASP 196 Ca 0.05 -2.31 0.04 0.00 0.43 0.00 0.00 52.55 50.76 3i23 s ASP 196 Cb -0.08 -0.48 -0.00 0.00 -0.30 0.00 0.00 42.92 42.05 3i23 s ASP 196 CO -0.00 -0.29 -0.22 -0.63 -0.17 0.00 0.00 175.17 173.85 3i23 s ILE 197 N 0.90 2.23 0.00 4.11 1.01 -1.26 -0.35 121.20 127.84 3i23 s ILE 197 Ca 0.19 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3i23 s ILE 197 Cb -0.21 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3i23 s ILE 197 CO -0.01 0.56 0.00 -2.11 0.00 0.00 0.00 174.94 173.38 3i23 n ARG 198 N 3.44 0.00 -3.70 2.79 1.85 -0.78 -4.73 116.66 115.53 3i23 n ARG 198 Ca -0.19 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.40 3i23 n ARG 198 Cb 0.53 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.77 3i23 n ARG 198 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 3i23 s ASN 199 N 0.16 2.48 -0.06 2.89 3.84 -1.26 -1.46 114.94 121.53 3i23 s ASN 199 Ca 0.00 -0.61 0.02 0.00 0.21 0.00 0.00 52.86 52.47 3i23 s ASN 199 Cb 0.00 -0.45 0.13 0.00 -0.55 0.00 0.00 41.25 40.38 3i23 s ASN 199 CO 0.00 -0.30 0.92 -0.46 -2.79 0.00 0.00 177.10 174.47 3i23 n ASN 200 N 5.14 2.43 0.00 -4.21 0.23 -1.26 -3.38 115.26 114.21 3i23 n ASN 200 Ca -0.08 -2.21 0.00 0.00 -0.53 0.00 0.00 54.58 51.76 3i23 n ASN 200 Cb 0.48 -0.54 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 3i23 n ASN 200 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3i23 n GLU 201 N 0.16 0.00 -3.65 -3.83 1.02 -1.26 -4.97 120.64 108.11 3i23 n GLU 201 Ca 0.07 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.92 3i23 n GLU 201 Cb 0.55 -0.17 -0.13 0.00 -0.02 0.00 0.00 31.44 31.66 3i23 n GLU 201 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i23 s VAL 202 N -1.99 1.10 0.53 2.62 1.01 -1.25 -5.02 120.40 117.40 3i23 s VAL 202 Ca 0.00 -2.35 0.44 0.00 0.00 0.00 0.00 61.98 60.07 3i23 s VAL 202 Cb 0.00 -1.78 0.66 0.00 0.00 0.00 0.00 36.38 35.26 3i23 s VAL 202 CO 0.00 -0.92 1.61 0.77 0.00 0.00 0.00 175.10 176.57 3i23 h SER 203 N 6.80 0.06 0.04 3.32 4.64 -1.93 0.14 113.55 126.61 3i23 h SER 203 Ca 0.01 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3i23 h SER 203 Cb 0.94 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3i23 h SER 203 CO 0.43 -0.05 -0.42 -1.84 -0.87 0.00 0.00 176.83 174.08 3i23 n GLU 204 N -4.15 1.14 -2.18 4.77 0.00 -1.26 -4.52 120.64 114.44 3i23 n GLU 204 Ca 0.40 -0.90 -0.32 0.00 0.00 0.00 0.00 57.16 56.35 3i23 n GLU 204 Cb 1.79 -1.48 -0.01 0.00 0.00 0.00 0.00 31.44 31.73 3i23 n GLU 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i23 s ALA 205 N -2.48 3.00 0.32 -1.84 0.00 0.49 -4.42 121.76 116.84 3i23 s ALA 205 Ca 0.20 0.15 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 3i23 s ALA 205 Cb 0.18 -3.13 -0.14 0.00 0.00 0.00 0.00 23.12 20.03 3i23 s ALA 205 CO 0.56 -0.48 0.65 1.33 0.00 0.00 0.00 175.76 177.82 3i23 n VAL 206 N -1.99 1.84 -1.69 0.00 0.24 1.00 -4.70 118.33 113.03 3i23 n VAL 206 Ca 0.07 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.34 61.43 3i23 n VAL 206 Cb 0.54 -0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 32.38 3i23 n VAL 206 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3i23 n ASP 207 N 1.50 2.89 -0.01 -1.34 5.68 -1.26 -4.78 116.55 119.23 3i23 n ASP 207 Ca 0.13 1.16 0.00 0.00 -0.50 0.00 0.00 54.79 55.58 3i23 n ASP 207 Cb 0.34 -1.47 0.00 0.00 -1.14 0.00 0.00 41.12 38.85 3i23 n ASP 207 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3i23 n ASN 208 N 1.70 1.59 -3.84 -1.12 6.94 -0.55 -1.78 115.26 118.20 3i23 n ASN 208 Ca 0.09 -1.83 -0.12 0.00 -0.02 0.00 0.00 54.58 52.70 3i23 n ASN 208 Cb 0.34 -0.02 -0.11 0.00 -2.36 0.00 0.00 39.78 37.63 3i23 n ASN 208 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3i23 s TYR 209 N -0.85 -0.06 -0.28 -2.53 5.04 -0.54 -3.35 117.35 114.79 3i23 s TYR 209 Ca 0.01 0.11 -0.22 0.00 -2.44 0.00 0.00 57.07 54.52 3i23 s TYR 209 Cb 0.01 0.00 0.10 0.00 0.35 0.00 0.00 41.96 42.42 3i23 s TYR 209 CO 0.00 -0.22 0.89 -0.59 -1.34 0.00 0.00 175.55 174.28 3i23 s PHE 210 N -0.86 -0.66 -0.28 4.97 -0.71 -0.89 -1.87 117.98 117.68 3i23 s PHE 210 Ca -0.09 1.51 -0.01 0.00 -1.04 0.00 0.00 56.93 57.30 3i23 s PHE 210 Cb -0.05 0.37 0.09 0.00 -1.21 0.00 0.00 43.02 42.22 3i23 s PHE 210 CO 0.01 -0.32 0.06 0.34 -1.34 0.00 0.00 175.22 173.98 3i23 s ASP 211 N 0.64 3.84 -0.15 1.98 -1.08 0.53 -1.59 116.67 120.83 3i23 s ASP 211 Ca -0.01 -1.45 0.01 0.00 -0.52 0.00 0.00 52.55 50.58 3i23 s ASP 211 Cb -0.05 -0.89 0.02 0.00 -1.46 0.00 0.00 42.92 40.53 3i23 s ASP 211 CO -0.07 -0.37 -0.19 -0.69 0.52 0.00 0.00 175.17 174.37 3i23 s VAL 212 N 1.60 1.87 -0.31 1.11 1.01 -0.49 -1.96 120.40 123.22 3i23 s VAL 212 Ca 0.06 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 3i23 s VAL 212 Cb -0.17 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3i23 s VAL 212 CO -0.19 0.51 0.21 -1.81 0.00 0.00 0.00 175.10 173.82 3i23 s ASP 213 N 1.11 5.98 -0.37 3.32 1.01 -0.98 -0.74 116.67 126.00 3i23 s ASP 213 Ca -0.01 -0.25 -0.17 0.00 0.71 0.00 0.00 52.55 52.83 3i23 s ASP 213 Cb -0.14 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 41.67 3i23 s ASP 213 CO -0.07 -0.15 0.43 -0.76 0.21 0.00 0.00 175.17 174.83 3i23 s LEU 214 N 1.73 4.52 -0.05 1.23 1.43 0.16 -2.07 118.68 125.62 3i23 s LEU 214 Ca 0.06 -0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 3i23 s LEU 214 Cb -0.17 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 3i23 s LEU 214 CO 0.10 -0.45 0.54 -1.00 0.23 0.00 0.00 176.35 175.77 3i23 s HIS 215 N 2.17 3.61 -0.41 0.29 3.76 -0.05 -1.08 115.29 123.58 3i23 s HIS 215 Ca 0.14 1.07 0.03 0.00 -0.15 0.00 0.00 55.06 56.14 3i23 s HIS 215 Cb -0.16 -2.58 0.12 0.00 1.11 0.00 0.00 32.58 31.07 3i23 s HIS 215 CO 0.13 0.28 0.17 0.71 -0.85 0.00 0.00 174.74 175.18 3i23 s TYR 216 N 0.14 2.71 0.00 1.40 2.02 -0.37 -0.89 117.35 122.36 3i23 s TYR 216 Ca 0.29 -2.65 0.00 0.00 -0.37 0.00 0.00 57.07 54.34 3i23 s TYR 216 Cb -0.17 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.02 3i23 s TYR 216 CO 0.14 -0.83 0.00 0.41 -1.57 0.00 0.00 175.55 173.70 3i23 n GLY 217 N 3.86 1.47 0.00 0.71 0.00 -1.26 -2.58 105.19 107.39 3i23 n GLY 217 Ca 0.04 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.43 3i23 n GLY 217 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i23 n SER 218 N 1.90 1.46 -0.04 1.61 3.41 -1.26 -4.73 113.62 115.97 3i23 n SER 218 Ca 0.00 -0.41 -0.21 0.00 -0.26 0.00 0.00 58.87 57.99 3i23 n SER 218 Cb 0.00 1.18 -0.13 0.00 -0.26 0.00 0.00 64.21 65.01 3i23 n SER 218 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3i23 h LYS 219 N 0.00 0.14 -6.46 4.33 1.57 -1.93 -3.48 116.57 110.74 3i23 h LYS 219 Ca 0.00 -0.24 -0.64 0.00 -1.87 0.00 0.00 60.65 57.89 3i23 h LYS 219 Cb 0.31 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.57 3i23 h LYS 219 CO 0.00 1.12 -0.71 -1.17 -0.57 0.00 0.00 179.45 178.12 3i23 s LEU 220 N -7.58 3.15 -0.19 2.94 2.96 -1.07 -4.34 118.68 114.56 3i23 s LEU 220 Ca -0.24 -0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 53.18 3i23 s LEU 220 Cb 0.05 -1.89 0.06 0.00 0.50 0.00 0.00 46.19 44.92 3i23 s LEU 220 CO 0.69 0.14 0.45 -0.75 -1.32 0.00 0.00 176.35 175.57 3i23 s LYS 221 N -2.49 0.43 -0.21 1.98 2.20 -0.87 -1.24 119.74 119.54 3i23 s LYS 221 Ca 0.24 0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 56.69 3i23 s LYS 221 Cb -0.10 0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.24 3i23 s LYS 221 CO 0.16 -0.16 -0.06 0.08 -0.36 0.00 0.00 175.35 175.00 3i23 s VAL 222 N 1.53 3.29 -0.32 4.02 1.01 -0.24 -1.65 120.40 128.04 3i23 s VAL 222 Ca -0.09 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 3i23 s VAL 222 Cb -0.08 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.82 3i23 s VAL 222 CO -0.14 0.44 0.15 -0.75 0.00 0.00 0.00 175.10 174.80 3i23 s LYS 223 N 1.31 3.16 -0.12 2.72 2.20 0.78 0.37 119.74 130.15 3i23 s LYS 223 Ca 0.04 -0.84 -0.09 0.00 -0.36 0.00 0.00 55.97 54.71 3i23 s LYS 223 Cb -0.14 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 3i23 s LYS 223 CO -0.03 -0.49 0.20 0.14 -0.36 0.00 0.00 175.35 174.81 3i23 s VAL 224 N 1.57 5.39 -0.01 4.02 -7.23 0.08 -1.38 120.40 122.84 3i23 s VAL 224 Ca 0.03 0.35 -0.15 0.00 -1.81 0.00 0.00 61.98 60.40 3i23 s VAL 224 Cb -0.18 -3.49 0.02 0.00 0.56 0.00 0.00 36.38 33.30 3i23 s VAL 224 CO 0.05 0.56 0.32 -0.75 -0.31 0.00 0.00 175.10 174.98 3i23 s LYS 225 N -0.65 0.70 -0.01 4.82 2.20 -0.55 -1.40 119.74 124.85 3i23 s LYS 225 Ca 0.15 -0.21 -0.11 0.00 -0.36 0.00 0.00 55.97 55.45 3i23 s LYS 225 Cb -0.13 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3i23 s LYS 225 CO 0.05 -0.20 0.23 0.99 -0.36 0.00 0.00 175.35 176.06 3i23 s THR 226 N -1.45 0.06 -0.26 3.43 2.01 -0.62 -2.15 115.64 116.66 3i23 s THR 226 Ca -0.13 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 3i23 s THR 226 Cb -0.05 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 72.02 3i23 s THR 226 CO 0.04 -0.29 0.65 0.21 -0.69 0.00 0.00 174.62 174.53 3i23 s ASN 227 N -1.23 -0.83 0.00 3.53 3.84 -1.25 -2.10 114.94 116.88 3i23 s ASN 227 Ca -0.13 1.39 0.18 0.00 0.21 0.00 0.00 52.86 54.51 3i23 s ASN 227 Cb -0.06 1.30 0.53 0.00 -0.55 0.00 0.00 41.25 42.47 3i23 s ASN 227 CO 0.03 -0.23 1.42 1.41 -2.79 0.00 0.00 177.10 176.94 3i23 n HIS 228 N 3.96 0.45 -3.06 0.43 8.25 -1.21 -0.80 115.22 123.23 3i23 n HIS 228 Ca -0.19 -0.23 -0.23 0.00 -0.26 0.00 0.00 57.72 56.82 3i23 n HIS 228 Cb 0.58 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.65 3i23 n HIS 228 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i23 n SER 229 N 0.76 2.76 -3.98 0.41 7.64 -0.93 0.15 113.62 120.44 3i23 n SER 229 Ca 0.16 -3.37 -0.31 0.00 1.01 0.00 0.00 58.87 56.37 3i23 n SER 229 Cb 0.40 -0.59 -0.15 0.00 -1.01 0.00 0.00 64.21 62.86 3i23 n SER 229 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i23 s VAL 230 N -3.50 1.78 0.00 0.44 1.01 -0.15 -4.97 120.40 115.02 3i23 s VAL 230 Ca 0.45 -1.48 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 3i23 s VAL 230 Cb 0.31 -2.04 -0.32 0.00 0.00 0.00 0.00 36.38 34.34 3i23 s VAL 230 CO -0.11 -0.16 0.88 0.00 0.00 0.00 0.00 175.10 175.71 3i23 h ALA 231 N 7.87 0.05 -2.68 5.51 0.00 -1.96 -3.31 119.26 124.73 3i23 h ALA 231 Ca -0.17 -1.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.02 3i23 h ALA 231 Cb 1.05 0.27 -0.29 0.00 0.00 0.00 0.00 17.79 18.82 3i23 h ALA 231 CO 0.44 0.91 -0.41 -1.12 0.00 0.00 0.00 179.25 179.07 3i23 s SER 232 N -7.34 5.67 0.50 0.00 0.01 -1.26 -5.03 113.70 106.25 3i23 s SER 232 Ca -0.11 -1.85 -0.20 0.00 1.31 0.00 0.00 55.95 55.10 3i23 s SER 232 Cb 0.05 -2.00 -0.11 0.00 0.21 0.00 0.00 66.02 64.18 3i23 s SER 232 CO 0.89 -0.66 0.53 -2.65 0.41 0.00 0.00 173.24 171.77 3i23 n PRO 233 N 4.90 0.57 -2.50 12.44 -0.02 -1.26 -5.03 135.00 144.10 3i23 n PRO 233 Ca -0.08 0.21 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 3i23 n PRO 233 Cb 0.41 -1.62 0.12 0.00 -0.02 0.00 0.00 33.50 32.40 3i23 n PRO 233 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3i23 s TYR 234 N -1.61 1.49 0.58 6.00 1.51 -1.26 -5.03 117.35 119.03 3i23 s TYR 234 Ca 0.66 -0.22 -0.17 0.00 -1.01 0.00 0.00 57.07 56.32 3i23 s TYR 234 Cb -0.51 -3.16 -0.04 0.00 -0.11 0.00 0.00 41.96 38.13 3i23 s TYR 234 CO 0.56 -1.90 1.08 -2.14 -1.11 0.00 0.00 175.55 172.05 3i23 s PRO 235 N -5.27 3.29 0.31 -1.71 0.02 -1.26 -4.81 135.00 125.56 3i23 s PRO 235 Ca 0.68 1.37 0.01 0.00 0.02 0.00 0.00 61.00 63.08 3i23 s PRO 235 Cb -0.05 -2.02 0.49 0.00 0.02 0.00 0.00 34.50 32.95 3i23 s PRO 235 CO 0.46 -0.86 1.85 -0.09 -0.33 0.00 0.00 177.00 178.03 3i23 h ARG 236 N 0.71 0.70 -3.67 5.54 9.65 0.63 -3.41 114.38 124.53 3i23 h ARG 236 Ca -0.48 -0.14 -0.15 0.00 -1.10 0.00 0.00 59.98 58.10 3i23 h ARG 236 Cb 1.24 -0.11 -0.21 0.00 -1.39 0.00 0.00 29.97 29.50 3i23 h ARG 236 CO 0.57 0.66 -0.56 -0.06 2.80 0.00 0.00 179.97 183.37 3i23 s PHE 237 N -5.12 0.11 -0.06 2.20 0.08 -0.77 -1.82 117.98 112.60 3i23 s PHE 237 Ca -0.09 -0.26 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 3i23 s PHE 237 Cb 0.16 -0.10 0.03 0.00 -0.57 0.00 0.00 43.02 42.54 3i23 s PHE 237 CO 0.78 -0.25 0.12 0.42 -0.10 0.00 0.00 175.22 176.20 3i23 s ILE 238 N -1.39 -0.05 -0.01 0.64 1.01 0.17 -1.71 121.20 119.87 3i23 s ILE 238 Ca -0.15 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.68 3i23 s ILE 238 Cb -0.08 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.18 3i23 s ILE 238 CO 0.01 0.07 -0.04 -0.69 0.00 0.00 0.00 174.94 174.29 3i23 s VAL 239 N 1.03 0.30 -0.03 2.92 1.01 -0.27 -0.74 120.40 124.62 3i23 s VAL 239 Ca -0.08 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3i23 s VAL 239 Cb -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.02 3i23 s VAL 239 CO -0.05 0.09 -0.06 -1.00 0.00 0.00 0.00 175.10 174.09 3i23 s HIS 240 N 0.03 0.73 0.11 5.22 3.76 -0.77 -1.58 115.29 122.78 3i23 s HIS 240 Ca 0.00 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 3i23 s HIS 240 Cb -0.03 -0.58 -0.00 0.00 1.11 0.00 0.00 32.58 33.07 3i23 s HIS 240 CO -0.00 -0.12 0.04 0.41 -0.85 0.00 0.00 174.74 174.22 3i23 n GLY 241 N 3.61 3.85 0.22 -2.22 0.00 0.15 -0.91 105.19 109.88 3i23 n GLY 241 Ca -0.21 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 43.82 3i23 n GLY 241 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i23 h SER 242 N 0.46 0.43 0.23 1.61 4.64 0.79 -3.26 113.55 118.46 3i23 h SER 242 Ca -0.09 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3i23 h SER 242 Cb 0.34 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3i23 h SER 242 CO 0.14 0.77 -1.31 0.59 -0.87 0.00 0.00 176.83 176.15 3i23 n ASN 243 N -4.05 0.53 0.00 4.97 3.02 -0.23 -4.97 115.26 114.53 3i23 n ASN 243 Ca -0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 3i23 n ASN 243 Cb 0.48 1.18 0.00 0.00 -0.61 0.00 0.00 39.78 40.83 3i23 n ASN 243 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i23 n GLY 244 N 1.36 -0.97 3.40 7.41 0.00 -1.23 -0.34 105.19 114.82 3i23 n GLY 244 Ca 0.01 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.93 3i23 n GLY 244 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i23 s SER 245 N -4.00 2.14 -0.13 1.61 0.01 -0.12 0.34 113.70 113.55 3i23 s SER 245 Ca 0.00 -1.32 -0.05 0.00 1.31 0.00 0.00 55.95 55.89 3i23 s SER 245 Cb 0.00 -0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.25 3i23 s SER 245 CO 0.00 -0.57 0.26 0.12 0.41 0.00 0.00 173.24 173.46 3i23 s PHE 246 N -3.35 -0.42 -0.12 2.43 5.36 -0.62 -1.56 117.98 119.71 3i23 s PHE 246 Ca 0.34 0.96 0.03 0.00 -0.96 0.00 0.00 56.93 57.30 3i23 s PHE 246 Cb 0.07 -0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.73 3i23 s PHE 246 CO 0.13 -0.35 -0.22 0.42 -1.46 0.00 0.00 175.22 173.75 3i23 s ILE 247 N 2.34 2.17 -0.22 3.12 -1.09 -0.96 -1.12 121.20 125.44 3i23 s ILE 247 Ca 0.00 -0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 57.45 3i23 s ILE 247 Cb -0.12 -1.85 0.06 0.00 -1.58 0.00 0.00 42.46 38.97 3i23 s ILE 247 CO -0.09 0.55 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.41 3i23 s LYS 248 N 0.54 1.21 0.21 2.79 2.36 -0.69 -1.37 119.74 124.80 3i23 s LYS 248 Ca -0.13 -0.78 0.00 0.00 -2.55 0.00 0.00 55.97 52.51 3i23 s LYS 248 Cb -0.17 -2.39 -0.04 0.00 -1.05 0.00 0.00 37.83 34.18 3i23 s LYS 248 CO 0.04 -0.63 0.39 0.71 1.55 0.00 0.00 175.35 177.41 3i23 s TYR 249 N 1.58 3.48 0.00 4.03 2.02 -1.26 0.12 117.35 127.32 3i23 s TYR 249 Ca -0.03 0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 3i23 s TYR 249 Cb -0.18 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 3i23 s TYR 249 CO -0.07 0.38 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 3i23 n GLY 250 N -0.83 -0.78 4.00 0.71 0.00 -1.26 -4.74 105.19 102.30 3i23 n GLY 250 Ca -0.05 -1.22 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 3i23 n GLY 250 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i23 s GLU 251 N -4.76 2.56 0.19 1.61 -1.05 -1.26 -4.75 118.70 111.25 3i23 s GLU 251 Ca 0.00 -1.20 -0.30 0.00 -0.15 0.00 0.00 54.97 53.31 3i23 s GLU 251 Cb 0.00 -2.64 -0.09 0.00 -0.44 0.00 0.00 34.13 30.97 3i23 s GLU 251 CO 0.00 -0.59 1.30 0.34 0.95 0.00 0.00 175.26 177.26 3i23 s ASP 252 N -4.46 6.91 0.00 0.83 -1.08 -1.26 -4.95 116.67 112.66 3i23 s ASP 252 Ca 0.58 2.38 0.22 0.00 -0.52 0.00 0.00 52.55 55.20 3i23 s ASP 252 Cb -0.09 -2.61 0.53 0.00 -1.46 0.00 0.00 42.92 39.30 3i23 s ASP 252 CO 0.36 -0.52 1.46 0.00 0.52 0.00 0.00 175.17 176.99 3i23 n GLN 253 N 2.72 2.48 -0.15 4.34 1.13 -1.26 -4.45 117.38 122.18 3i23 n GLN 253 Ca 0.06 -2.27 0.19 0.00 -1.94 0.00 0.00 57.00 53.05 3i23 n GLN 253 Cb 0.43 -1.51 0.58 0.00 0.11 0.00 0.00 30.24 29.85 3i23 n GLN 253 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3i23 h GLN 254 N 4.06 0.26 0.05 -1.09 4.20 -1.93 -0.87 115.11 119.78 3i23 h GLN 254 Ca 0.00 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3i23 h GLN 254 Cb 0.91 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.64 3i23 h GLN 254 CO 0.00 0.17 -0.40 1.49 -0.67 0.00 0.00 178.83 179.42 3i23 h GLU 255 N 0.26 0.19 0.00 1.46 4.81 -1.99 -1.00 114.58 118.31 3i23 h GLU 255 Ca 0.38 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3i23 h GLU 255 Cb 1.10 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3i23 h GLU 255 CO -0.09 1.07 0.00 0.09 -0.73 0.00 0.00 179.01 179.34 3i23 n ASN 256 N -4.38 0.61 -0.08 1.04 3.02 -1.05 0.49 115.26 114.91 3i23 n ASN 256 Ca -0.11 0.69 -0.16 0.00 -0.03 0.00 0.00 54.58 54.97 3i23 n ASN 256 Cb 0.62 -0.81 -0.12 0.00 -0.61 0.00 0.00 39.78 38.87 3i23 n ASN 256 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3i23 h ASP 257 N 0.00 0.00 -0.44 6.41 5.19 -1.12 -3.01 116.42 123.45 3i23 h ASP 257 Ca 0.00 -0.74 -0.04 0.00 -0.62 0.00 0.00 57.03 55.63 3i23 h ASP 257 Cb 0.24 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 3i23 h ASP 257 CO 0.00 1.16 0.13 -0.07 -3.12 0.00 0.00 179.24 177.34 3i23 h LEU 258 N -1.00 0.70 0.00 1.55 3.38 -0.61 0.31 115.31 119.64 3i23 h LEU 258 Ca -0.14 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3i23 h LEU 258 Cb 1.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3i23 h LEU 258 CO -0.08 0.69 0.00 0.29 0.09 0.00 0.00 178.44 179.43 3i23 n LYS 259 N -4.29 0.90 -0.01 1.13 5.02 0.18 -2.20 118.16 118.88 3i23 n LYS 259 Ca 0.04 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 3i23 n LYS 259 Cb 0.21 -1.39 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3i23 n LYS 259 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i23 n ALA 260 N -0.89 2.38 -0.71 7.82 0.00 -0.23 -4.98 120.51 123.89 3i23 n ALA 260 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3i23 n ALA 260 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.44 3i23 n ALA 260 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i23 n GLY 261 N 0.03 0.59 4.01 0.00 0.00 -0.82 -5.04 105.19 103.96 3i23 n GLY 261 Ca 0.02 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.36 3i23 n GLY 261 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i23 s ILE 262 N -2.00 2.49 -0.45 -0.61 1.01 0.92 -4.99 121.20 117.58 3i23 s ILE 262 Ca 0.00 -0.88 0.23 0.00 0.00 0.00 0.00 60.65 60.00 3i23 s ILE 262 Cb 0.00 -2.61 -0.08 0.00 0.01 0.00 0.00 42.46 39.77 3i23 s ILE 262 CO 0.00 0.00 1.01 -2.65 0.00 0.00 0.00 174.94 173.30 3i23 n PRO 264 N -2.24 0.42 0.00 2.79 -0.02 -1.26 -3.40 135.00 131.29 3i23 n PRO 264 Ca 0.12 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 3i23 n PRO 264 Cb 0.60 -1.66 0.23 0.00 -0.02 0.00 0.00 33.50 32.65 3i23 n PRO 264 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3i23 n ASP 265 N -2.22 1.93 -4.75 2.55 3.85 -1.26 -4.83 116.55 111.82 3i23 n ASP 265 Ca 0.01 -1.49 -0.35 0.00 -0.71 0.00 0.00 54.79 52.25 3i23 n ASP 265 Cb 0.48 0.17 0.04 0.00 -1.35 0.00 0.00 41.12 40.46 3i23 n ASP 265 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i23 s ALA 266 N -2.25 2.47 0.05 2.12 0.00 -1.26 -4.94 121.76 117.95 3i23 s ALA 266 Ca 0.27 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 3i23 s ALA 266 Cb 0.19 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 3i23 s ALA 266 CO 0.44 -1.25 1.50 -1.25 0.00 0.00 0.00 175.76 175.19 3i23 s PRO 267 N -3.60 4.25 -0.20 0.00 0.04 -1.26 -2.88 135.00 131.36 3i23 s PRO 267 Ca 0.74 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.91 3i23 s PRO 267 Cb -0.27 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.77 3i23 s PRO 267 CO 0.36 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.20 3i23 n GLY 268 N 3.75 0.40 3.71 0.56 0.00 -1.26 -5.01 105.19 107.34 3i23 n GLY 268 Ca 0.14 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3i23 n GLY 268 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i23 s PHE 269 N -2.09 3.61 0.00 1.61 5.36 -1.14 -3.15 117.98 122.18 3i23 s PHE 269 Ca 0.00 1.60 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 3i23 s PHE 269 Cb 0.00 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 3i23 s PHE 269 CO 0.00 -0.34 0.00 0.41 -1.46 0.00 0.00 175.22 173.83 3i23 n GLY 270 N 2.88 0.78 3.67 13.12 0.00 -1.26 -4.74 105.19 119.65 3i23 n GLY 270 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3i23 n GLY 270 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i23 s GLU 271 N -0.10 4.23 0.55 1.61 2.02 -1.19 0.00 118.70 125.84 3i23 s GLU 271 Ca 0.00 0.50 -0.17 0.00 0.02 0.00 0.00 54.97 55.32 3i23 s GLU 271 Cb 0.00 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 3i23 s GLU 271 CO 0.00 -0.11 1.05 0.34 0.02 0.00 0.00 175.26 176.56 3i23 s ASP 272 N 1.06 6.01 0.05 -0.19 2.15 -1.26 -5.00 116.67 119.50 3i23 s ASP 272 Ca 0.26 1.84 -0.30 0.00 0.43 0.00 0.00 52.55 54.77 3i23 s ASP 272 Cb -0.16 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.87 3i23 s ASP 272 CO 0.10 -1.01 1.13 -0.44 -0.17 0.00 0.00 175.17 174.78 3i23 s SER 273 N -2.56 7.18 0.00 -0.34 0.01 -1.26 -4.96 113.70 111.77 3i23 s SER 273 Ca 0.64 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.82 3i23 s SER 273 Cb -0.16 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.49 3i23 s SER 273 CO 0.31 -0.39 0.03 -2.65 0.41 0.00 0.00 173.24 170.96 3i23 n PRO 274 N 3.78 0.00 0.00 12.44 -0.02 -1.26 -2.88 135.00 147.06 3i23 n PRO 274 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3i23 n PRO 274 Cb 0.48 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 3i23 n PRO 274 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i23 n TYR 276 N 1.69 0.00 -1.71 6.00 4.01 -1.26 -4.94 117.16 120.94 3i23 n TYR 276 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3i23 n TYR 276 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 3i23 n TYR 276 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3i23 n TYR 277 N 0.00 2.61 -1.11 -0.72 4.01 -1.14 -4.36 117.16 116.46 3i23 n TYR 277 Ca 0.00 0.21 -0.32 0.00 -0.16 0.00 0.00 57.90 57.64 3i23 n TYR 277 Cb 0.00 -2.59 0.12 0.00 -0.31 0.00 0.00 39.34 36.56 3i23 n TYR 277 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3i23 s GLY 278 N 0.76 1.83 -0.06 2.72 0.00 -1.25 -4.71 107.32 106.62 3i23 s GLY 278 Ca 0.71 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.97 3i23 s GLY 278 CO 0.41 0.90 -0.13 -0.54 0.00 0.00 0.00 173.10 173.75 3i23 s GLU 279 N -4.58 1.63 0.08 2.90 2.02 -0.47 -0.63 118.70 119.66 3i23 s GLU 279 Ca 0.66 -0.43 -0.05 0.00 0.02 0.00 0.00 54.97 55.17 3i23 s GLU 279 Cb -0.21 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.60 3i23 s GLU 279 CO 0.54 0.07 0.31 0.14 0.02 0.00 0.00 175.26 176.33 3i23 s VAL 280 N 0.53 5.25 -0.32 2.63 -7.23 -0.26 -2.26 120.40 118.74 3i23 s VAL 280 Ca -0.12 0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.07 3i23 s VAL 280 Cb -0.14 -3.61 0.12 0.00 0.56 0.00 0.00 36.38 33.31 3i23 s VAL 280 CO 0.03 0.18 0.21 -0.89 -0.31 0.00 0.00 175.10 174.32 3i23 s THR 281 N -1.49 -0.09 0.29 5.32 2.01 -0.60 -2.44 115.64 118.63 3i23 s THR 281 Ca 0.35 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.35 3i23 s THR 281 Cb -0.13 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 3i23 s THR 281 CO 0.22 -0.75 0.15 -0.72 -0.69 0.00 0.00 174.62 172.83 3i23 s TYR 282 N 1.76 1.55 -0.13 4.92 -0.85 -0.57 -0.94 117.35 123.08 3i23 s TYR 282 Ca 0.13 -1.35 0.02 0.00 -0.52 0.00 0.00 57.07 55.34 3i23 s TYR 282 Cb -0.18 -0.83 0.01 0.00 0.38 0.00 0.00 41.96 41.35 3i23 s TYR 282 CO -0.21 -0.52 -0.17 -0.98 -1.52 0.00 0.00 175.55 172.15 3i23 s ARG 283 N -3.88 2.46 0.48 -3.49 1.70 0.54 0.42 118.95 117.18 3i23 s ARG 283 Ca 0.37 -0.64 -0.08 0.00 -0.47 0.00 0.00 55.73 54.90 3i23 s ARG 283 Cb 0.06 -2.08 0.12 0.00 -0.57 0.00 0.00 34.95 32.47 3i23 s ARG 283 CO 0.17 -0.08 0.45 0.27 -1.08 0.00 0.00 175.30 175.02 3i23 n ASN 284 N 4.27 -1.27 0.26 -2.89 0.23 0.13 -4.84 115.26 111.15 3i23 n ASN 284 Ca -0.19 -0.81 0.17 0.00 -0.53 0.00 0.00 54.58 53.21 3i23 n ASN 284 Cb 0.51 -0.40 0.67 0.00 -2.08 0.00 0.00 39.78 38.48 3i23 n ASN 284 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3i23 h GLY 285 N -1.31 0.00 1.24 4.83 0.00 -2.00 -1.92 103.07 103.90 3i23 h GLY 285 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3i23 h GLY 285 CO 0.11 0.00 -0.02 0.70 0.00 0.00 0.00 176.54 177.33 3i23 n ASN 286 N -2.99 0.11 0.00 0.19 3.02 -1.26 -4.86 115.26 109.47 3i23 n ASN 286 Ca 0.01 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 3i23 n ASN 286 Cb 0.29 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3i23 n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i23 n GLY 287 N 1.19 0.98 3.72 7.41 0.00 -0.72 -5.03 105.19 112.74 3i23 n GLY 287 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3i23 n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i23 s ASP 288 N -3.03 6.89 0.01 1.61 1.01 -1.26 -4.75 116.67 117.15 3i23 s ASP 288 Ca 0.00 2.31 -0.23 0.00 0.71 0.00 0.00 52.55 55.34 3i23 s ASP 288 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 3i23 s ASP 288 CO 0.00 -0.58 0.71 0.26 0.21 0.00 0.00 175.17 175.77 3i23 s TRP 289 N 0.72 3.69 -0.06 4.23 0.52 -1.26 -0.70 118.94 126.07 3i23 s TRP 289 Ca 0.61 1.35 0.02 0.00 0.02 0.00 0.00 56.10 58.10 3i23 s TRP 289 Cb -0.36 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.22 3i23 s TRP 289 CO 0.33 0.25 -0.12 0.42 0.02 0.00 0.00 176.95 177.85 3i23 s ILE 290 N 0.10 1.11 -0.28 2.03 1.09 0.17 -4.98 121.20 120.44 3i23 s ILE 290 Ca 0.36 -0.47 -0.00 0.00 -1.10 0.00 0.00 60.65 59.44 3i23 s ILE 290 Cb -0.19 -1.02 0.09 0.00 -1.06 0.00 0.00 42.46 40.27 3i23 s ILE 290 CO 0.20 0.35 0.06 -0.54 -0.10 0.00 0.00 174.94 174.91 3i23 s LYS 291 N 0.67 0.91 0.23 2.79 1.02 -1.26 -1.52 119.74 122.59 3i23 s LYS 291 Ca -0.14 -1.03 0.03 0.00 0.02 0.00 0.00 55.97 54.84 3i23 s LYS 291 Cb -0.16 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 3i23 s LYS 291 CO 0.04 -0.87 0.01 -1.59 -0.92 0.00 0.00 175.35 172.01 3i23 s LYS 292 N 1.55 1.33 0.39 1.68 -2.85 -1.02 -4.98 119.74 115.85 3i23 s LYS 292 Ca 0.06 -1.68 -0.02 0.00 -1.00 0.00 0.00 55.97 53.33 3i23 s LYS 292 Cb -0.18 -0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 34.99 3i23 s LYS 292 CO -0.18 -0.12 0.64 -0.65 0.10 0.00 0.00 175.35 175.14 3i23 s GLN 293 N -3.88 3.52 -0.19 1.78 -0.21 -1.26 -1.11 119.66 118.31 3i23 s GLN 293 Ca 0.29 -0.12 -0.00 0.00 0.02 0.00 0.00 55.36 55.55 3i23 s GLN 293 Cb 0.06 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.52 3i23 s GLN 293 CO 0.09 0.02 -0.16 0.42 -2.12 0.00 0.00 175.29 173.55 3i23 s ILE 294 N -2.46 2.45 0.10 1.08 -1.09 0.20 -4.88 121.20 116.59 3i23 s ILE 294 Ca 0.43 -0.81 -0.31 0.00 -2.23 0.00 0.00 60.65 57.73 3i23 s ILE 294 Cb -0.10 -2.06 -0.09 0.00 -1.58 0.00 0.00 42.46 38.64 3i23 s ILE 294 CO 0.39 0.51 1.64 -0.75 -1.23 0.00 0.00 174.94 175.49 3i23 s LYS 295 N 1.30 4.20 -0.04 2.79 2.20 -1.26 -3.76 119.74 125.17 3i23 s LYS 295 Ca 0.04 2.35 -0.30 0.00 -0.36 0.00 0.00 55.97 57.70 3i23 s LYS 295 Cb -0.14 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 3i23 s LYS 295 CO -0.09 -0.71 1.44 0.99 -0.36 0.00 0.00 175.35 176.62 3i23 s THR 296 N 2.26 3.76 0.45 3.43 2.01 -1.26 -4.95 115.64 121.34 3i23 s THR 296 Ca 0.73 1.07 -0.24 0.00 0.31 0.00 0.00 61.69 63.56 3i23 s THR 296 Cb -0.41 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 3i23 s THR 296 CO 0.32 -0.04 1.16 -2.65 -0.69 0.00 0.00 174.62 172.73 3i23 n PRO 297 N 5.97 1.62 -1.98 4.92 -0.02 -1.26 -4.64 135.00 139.60 3i23 n PRO 297 Ca 0.14 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3i23 n PRO 297 Cb 0.44 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 3i23 n PRO 297 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i23 s VAL 298 N -1.26 2.50 -0.07 -1.45 1.01 -1.26 -4.37 120.40 115.51 3i23 s VAL 298 Ca 0.64 0.46 -0.27 0.00 0.00 0.00 0.00 61.98 62.81 3i23 s VAL 298 Cb -0.51 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3i23 s VAL 298 CO 0.56 0.09 0.86 -0.83 0.00 0.00 0.00 175.10 175.78 3i23 s GLY 299 N 0.04 2.60 -0.28 4.51 0.00 0.10 -4.71 107.32 109.57 3i23 s GLY 299 Ca 0.55 0.28 0.02 0.00 0.00 0.00 0.00 44.72 45.58 3i23 s GLY 299 CO 0.50 1.53 0.49 -0.35 0.00 0.00 0.00 173.10 175.28 3i23 s ASP 300 N 0.97 -0.55 0.26 1.64 2.15 -1.12 -4.19 116.67 115.82 3i23 s ASP 300 Ca 0.44 0.12 0.23 0.00 0.43 0.00 0.00 52.55 53.77 3i23 s ASP 300 Cb -0.19 1.57 0.98 0.00 -0.30 0.00 0.00 42.92 44.99 3i23 s ASP 300 CO 0.20 -0.31 1.70 -1.22 -0.17 0.00 0.00 175.17 175.38 3i23 n TYR 301 N 5.39 0.79 0.29 -5.34 4.01 -1.26 -1.96 117.16 119.07 3i23 n TYR 301 Ca 0.01 0.31 0.18 0.00 -0.16 0.00 0.00 57.90 58.24 3i23 n TYR 301 Cb 0.51 -1.01 0.76 0.00 -0.31 0.00 0.00 39.34 39.30 3i23 n TYR 301 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3i23 h GLY 302 N 2.16 0.00 2.00 2.72 0.00 -1.93 -2.49 103.07 105.53 3i23 h GLY 302 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i23 h GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.75 3i23 h ARG 303 N 0.00 0.00 -0.53 4.80 3.08 -1.81 -0.37 114.38 119.56 3i23 h ARG 303 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3i23 h ARG 303 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3i23 h ARG 303 CO 0.00 0.00 -0.14 -0.92 -1.07 0.00 0.00 179.97 177.84 3i23 h TYR 304 N 0.00 1.15 0.00 3.04 3.20 -1.66 -2.02 116.97 120.68 3i23 h TYR 304 Ca 0.00 -0.25 -0.05 0.00 3.14 0.00 0.00 58.73 61.57 3i23 h TYR 304 Cb 0.17 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 3i23 h TYR 304 CO 0.00 1.08 -0.22 1.88 -1.64 0.00 0.00 178.16 179.26 3i23 h TYR 305 N 0.90 0.00 -0.12 -3.82 0.05 -1.27 -2.30 116.97 110.41 3i23 h TYR 305 Ca 0.13 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.68 3i23 h TYR 305 Cb 0.71 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.46 3i23 h TYR 305 CO 0.05 0.22 -0.83 -0.44 -1.05 0.00 0.00 178.16 176.11 3i23 h ASP 306 N 0.00 0.93 -0.52 3.88 3.32 -1.17 -2.59 116.42 120.27 3i23 h ASP 306 Ca -0.00 -0.63 -0.02 0.00 0.02 0.00 0.00 57.03 56.40 3i23 h ASP 306 Cb 0.93 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3i23 h ASP 306 CO 0.03 1.43 0.26 0.00 -1.72 0.00 0.00 179.24 179.24 3i23 h ALA 307 N 0.54 0.67 -0.03 3.45 0.00 -1.18 -1.42 119.26 121.30 3i23 h ALA 307 Ca -0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3i23 h ALA 307 Cb 1.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3i23 h ALA 307 CO 0.17 0.22 -0.15 0.28 0.00 0.00 0.00 179.25 179.78 3i23 h VAL 308 N 0.70 1.12 -0.13 0.00 2.07 -1.44 -2.12 116.25 116.45 3i23 h VAL 308 Ca 0.18 -0.57 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 3i23 h VAL 308 Cb 0.10 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3i23 h VAL 308 CO -0.02 0.17 -0.20 0.22 0.02 0.00 0.00 177.57 177.75 3i23 h TYR 309 N 0.04 0.46 0.00 1.57 3.20 -0.93 -1.02 116.97 120.29 3i23 h TYR 309 Ca 0.01 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.72 3i23 h TYR 309 Cb 0.28 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3i23 h TYR 309 CO 0.00 0.82 0.00 0.93 -1.64 0.00 0.00 178.16 178.27 3i23 h GLU 310 N -0.03 0.00 0.15 1.82 4.39 -0.88 0.39 114.58 120.43 3i23 h GLU 310 Ca 0.01 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.35 3i23 h GLU 310 Cb 0.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3i23 h GLU 310 CO 0.05 0.00 -1.90 1.15 -1.16 0.00 0.00 179.01 177.15 3i23 h THR 311 N 0.00 0.75 0.20 1.13 2.02 -1.20 0.25 112.91 116.05 3i23 h THR 311 Ca 0.00 -2.41 -0.30 0.00 0.77 0.00 0.00 66.41 64.47 3i23 h THR 311 Cb 0.27 2.61 0.02 0.00 -1.74 0.00 0.00 68.15 69.31 3i23 h THR 311 CO 0.00 0.89 -1.41 -0.07 0.37 0.00 0.00 175.52 175.30 3i23 h LEU 312 N 0.08 0.65 0.00 2.58 3.38 -0.76 -2.63 115.31 118.61 3i23 h LEU 312 Ca -0.39 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.66 3i23 h LEU 312 Cb 2.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3i23 h LEU 312 CO 0.12 1.66 -1.10 0.29 0.09 0.00 0.00 178.44 179.50 3i23 n LYS 313 N -3.80 0.33 0.00 1.13 4.01 0.13 -4.50 118.16 115.46 3i23 n LYS 313 Ca -0.20 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.59 3i23 n LYS 313 Cb 1.01 -1.60 0.00 0.00 -0.51 0.00 0.00 35.03 33.93 3i23 n LYS 313 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3i23 n ASN 314 N -2.02 0.69 -1.30 4.39 5.03 -1.13 -5.02 115.26 115.90 3i23 n ASN 314 Ca 0.01 -1.13 -0.15 0.00 0.87 0.00 0.00 54.58 54.18 3i23 n ASN 314 Cb 0.45 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.16 3i23 n ASN 314 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i23 n GLY 315 N -0.07 1.05 3.81 7.41 0.00 -0.99 -4.91 105.19 111.50 3i23 n GLY 315 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 3i23 n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i23 s ALA 316 N -2.61 2.32 0.34 4.61 0.00 0.84 -4.94 121.76 122.31 3i23 s ALA 316 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 3i23 s ALA 316 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 3i23 s ALA 316 CO 0.00 -1.66 1.35 -2.14 0.00 0.00 0.00 175.76 173.31 3i23 s PRO 317 N -5.16 4.30 0.09 0.00 0.02 -1.26 -4.33 135.00 128.65 3i23 s PRO 317 Ca 0.60 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.62 3i23 s PRO 317 Cb -0.14 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 3i23 s PRO 317 CO 0.54 -0.27 1.00 1.14 -0.33 0.00 0.00 177.00 179.08 3i23 s GLN 318 N -1.76 4.64 0.00 5.54 -2.07 -1.26 -4.77 119.66 119.98 3i23 s GLN 318 Ca 0.50 1.50 -0.01 0.00 -1.82 0.00 0.00 55.36 55.54 3i23 s GLN 318 Cb -0.41 -3.38 -0.00 0.00 -1.09 0.00 0.00 33.01 28.12 3i23 s GLN 318 CO 0.54 0.10 1.02 1.25 -1.32 0.00 0.00 175.29 176.89 3i23 h LEU 319 N 5.87 -0.07 -8.84 2.60 5.85 -1.93 -3.37 115.31 115.43 3i23 h LEU 319 Ca -0.43 0.01 -0.59 0.00 0.84 0.00 0.00 57.88 57.71 3i23 h LEU 319 Cb 1.21 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.18 3i23 h LEU 319 CO 0.73 -0.01 0.58 -0.69 -0.34 0.00 0.00 178.44 178.71 3i23 s VAL 320 N -3.08 4.60 0.47 1.05 1.01 -1.26 -5.04 120.40 118.14 3i23 s VAL 320 Ca -0.00 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 3i23 s VAL 320 Cb 0.00 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3i23 s VAL 320 CO 0.02 -0.52 0.74 0.42 0.00 0.00 0.00 175.10 175.77 3i23 s THR 321 N 3.43 4.70 0.31 3.92 -4.23 -1.26 -4.90 115.64 117.61 3i23 s THR 321 Ca 0.37 -0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 3i23 s THR 321 Cb -0.12 -3.78 0.29 0.00 1.34 0.00 0.00 72.50 70.23 3i23 s THR 321 CO 0.18 -0.70 1.88 0.50 -0.54 0.00 0.00 174.62 175.95 3i23 h LYS 322 N 0.29 0.92 0.02 3.99 3.64 -1.96 0.54 116.57 124.01 3i23 h LYS 322 Ca -0.47 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3i23 h LYS 322 Cb 1.22 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3i23 h LYS 322 CO 0.61 0.61 -0.01 0.93 -2.27 0.00 0.00 179.45 179.32 3i23 h GLU 323 N 0.95 -0.02 -0.03 1.90 3.07 -1.98 -0.01 114.58 118.45 3i23 h GLU 323 Ca 0.43 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3i23 h GLU 323 Cb 0.38 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3i23 h GLU 323 CO -0.19 0.29 0.02 1.96 -1.40 0.00 0.00 179.01 179.69 3i23 h GLN 324 N -0.34 0.04 0.06 2.33 4.20 -1.82 -0.41 115.11 119.17 3i23 h GLN 324 Ca -0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3i23 h GLN 324 Cb 0.32 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3i23 h GLN 324 CO 0.00 0.06 -0.03 0.00 -0.67 0.00 0.00 178.83 178.20 3i23 h ALA 325 N 0.98 -0.07 -0.74 3.87 0.00 -0.94 -2.40 119.26 119.96 3i23 h ALA 325 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3i23 h ALA 325 Cb 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i23 h ALA 325 CO -0.00 -0.49 0.27 -0.07 0.00 0.00 0.00 179.25 178.96 3i23 h LEU 326 N -0.18 1.04 -0.75 0.00 3.38 -0.96 -2.76 115.31 115.07 3i23 h LEU 326 Ca -0.01 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3i23 h LEU 326 Cb 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3i23 h LEU 326 CO 0.01 0.94 -0.12 0.74 0.09 0.00 0.00 178.44 180.10 3i23 h THR 327 N 1.09 1.26 -0.53 0.22 2.02 -1.04 -1.12 112.91 114.81 3i23 h THR 327 Ca 0.25 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3i23 h THR 327 Cb 0.24 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 3i23 h THR 327 CO -0.02 0.41 0.33 -1.13 0.37 0.00 0.00 175.52 175.49 3i23 h ASN 328 N 0.75 0.62 0.94 4.18 -0.00 -1.25 -1.95 115.58 118.86 3i23 h ASN 328 Ca 0.12 -0.04 -0.07 0.00 -0.00 0.00 0.00 56.30 56.31 3i23 h ASN 328 Cb 0.62 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.77 3i23 h ASN 328 CO 0.04 0.48 -0.31 0.40 -0.00 0.00 0.00 177.43 178.04 3i23 h ILE 329 N 0.71 0.73 -0.10 2.57 2.04 -1.28 -1.68 117.51 120.49 3i23 h ILE 329 Ca 0.19 -1.39 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 3i23 h ILE 329 Cb -0.04 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3i23 h ILE 329 CO -0.04 0.31 -0.14 -0.08 0.00 0.00 0.00 178.15 178.20 3i23 h GLU 330 N 0.00 0.28 -0.10 2.37 4.81 -0.68 -2.74 114.58 118.52 3i23 h GLU 330 Ca -0.00 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 58.93 3i23 h GLU 330 Cb 0.87 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 3i23 h GLU 330 CO 0.04 0.72 -0.54 0.82 -0.73 0.00 0.00 179.01 179.32 3i23 h ILE 331 N -0.15 1.36 0.07 2.32 2.04 -1.33 0.67 117.51 122.49 3i23 h ILE 331 Ca 0.01 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.05 3i23 h ILE 331 Cb 0.69 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3i23 h ILE 331 CO 0.03 0.54 -0.03 0.25 0.00 0.00 0.00 178.15 178.94 3i23 h LEU 332 N 0.22 -0.08 -0.39 1.44 5.85 -1.36 -2.70 115.31 118.29 3i23 h LEU 332 Ca 0.00 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.35 3i23 h LEU 332 Cb 1.02 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3i23 h LEU 332 CO 0.09 0.15 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.48 3i23 h GLU 333 N -0.31 0.78 0.00 1.25 5.08 -1.47 -3.13 114.58 116.78 3i23 h GLU 333 Ca -0.01 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3i23 h GLU 333 Cb 0.27 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3i23 h GLU 333 CO 0.02 1.11 0.00 0.00 -1.00 0.00 0.00 179.01 179.14 3i23 h ALA 334 N 0.80 1.00 0.00 3.43 0.00 -0.84 -2.21 119.26 121.43 3i23 h ALA 334 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3i23 h ALA 334 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3i23 h ALA 334 CO 0.11 0.00 -0.22 0.78 0.00 0.00 0.00 179.25 179.92 3i23 h GLY 335 N 0.41 0.00 -2.63 0.00 0.00 -1.42 -3.16 103.07 96.27 3i23 h GLY 335 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3i23 h GLY 335 CO 0.00 0.00 0.14 0.69 0.00 0.00 0.00 176.54 177.37 3i23 n PHE 336 N -3.27 1.69 0.08 5.60 3.72 -0.83 -4.44 117.46 120.01 3i23 n PHE 336 Ca 0.01 -1.57 0.10 0.00 -0.05 0.00 0.00 57.45 55.95 3i23 n PHE 336 Cb 0.50 -0.61 -0.04 0.00 -0.94 0.00 0.00 39.48 38.39 3i23 n PHE 336 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3i23 n LEU 337 N -1.00 0.71 -3.80 4.37 7.94 -1.20 -4.95 117.00 119.07 3i23 n LEU 337 Ca 0.40 0.28 -0.10 0.00 -1.11 0.00 0.00 56.01 55.48 3i23 n LEU 337 Cb 1.22 -0.03 -0.06 0.00 0.53 0.00 0.00 43.42 45.07 3i23 n LEU 337 CO 0.31 -0.13 0.04 0.20 -1.11 0.00 0.00 177.39 176.71 3i23 s ASN 338 N -5.26 -0.05 0.37 1.96 0.01 -1.26 -5.15 114.94 105.56 3i23 s ASN 338 Ca -0.02 -0.59 -0.28 0.00 -0.71 0.00 0.00 52.86 51.26 3i23 s ASN 338 Cb 0.10 0.43 -0.11 0.00 0.41 0.00 0.00 41.25 42.09 3i23 s ASN 338 CO 0.81 -0.85 1.45 -2.84 -1.51 0.00 0.00 177.10 174.16 3i23 s PRO 339 N -3.87 4.12 0.32 -0.60 0.02 -1.26 -4.90 135.00 128.82 3i23 s PRO 339 Ca 0.08 2.49 -0.24 0.00 0.02 0.00 0.00 61.00 63.35 3i23 s PRO 339 Cb 0.03 -2.96 -0.10 0.00 0.02 0.00 0.00 34.50 31.49 3i23 s PRO 339 CO -0.07 -0.49 0.90 0.45 -0.33 0.00 0.00 177.00 177.45 3i23 s SER 340 N -0.24 7.23 0.45 2.53 0.15 -1.26 -4.05 113.70 118.51 3i23 s SER 340 Ca 0.53 1.73 -0.18 0.00 0.70 0.00 0.00 55.95 58.73 3i23 s SER 340 Cb -0.45 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.23 3i23 s SER 340 CO 0.61 -0.09 0.93 -2.16 1.20 0.00 0.00 173.24 173.73 3i23 s PRO 341 N -2.19 4.05 0.15 5.44 0.04 -1.26 -4.97 135.00 136.27 3i23 s PRO 341 Ca 0.50 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 3i23 s PRO 341 Cb -0.17 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 3i23 s PRO 341 CO 0.22 -0.11 0.12 -1.54 0.04 0.00 0.00 177.00 175.73 3i23 s SER 342 N -2.63 0.23 -0.07 6.66 1.04 -0.65 -4.94 113.70 113.33 3i23 s SER 342 Ca 0.59 -1.17 0.06 0.00 0.48 0.00 0.00 55.95 55.90 3i23 s SER 342 Cb -0.10 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 3i23 s SER 342 CO 0.22 -0.78 -0.25 -0.69 0.98 0.00 0.00 173.24 172.72 3i23 s VAL 343 N -4.05 2.05 0.00 5.02 1.01 -1.26 0.22 120.40 123.39 3i23 s VAL 343 Ca 0.25 -1.06 0.06 0.00 0.00 0.00 0.00 61.98 61.23 3i23 s VAL 343 Cb 0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3i23 s VAL 343 CO 0.03 0.57 -0.18 -0.47 0.00 0.00 0.00 175.10 175.05 3i23 s TYR 344 N -0.04 1.62 -0.22 5.22 5.04 0.33 -4.98 117.35 124.33 3i23 s TYR 344 Ca -0.07 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.21 3i23 s TYR 344 Cb -0.15 -1.02 0.01 0.00 0.35 0.00 0.00 41.96 41.15 3i23 s TYR 344 CO 0.05 0.00 -0.09 -1.01 -1.34 0.00 0.00 175.55 173.16 3i23 s HIS 345 N -0.54 2.93 0.87 4.97 3.76 -1.26 -0.62 115.29 125.41 3i23 s HIS 345 Ca 0.07 -1.27 -0.12 0.00 -0.15 0.00 0.00 55.06 53.59 3i23 s HIS 345 Cb -0.07 -2.04 0.11 0.00 1.11 0.00 0.00 32.58 31.68 3i23 s HIS 345 CO 0.00 -0.66 1.10 -0.51 -0.85 0.00 0.00 174.74 173.82 3i23 s LEU 346 N 1.39 2.29 0.00 0.89 2.01 -0.20 -5.01 118.68 120.05 3i23 s LEU 346 Ca 0.04 1.33 0.00 0.00 0.01 0.00 0.00 54.13 55.51 3i23 s LEU 346 Cb -0.14 -3.78 0.00 0.00 0.01 0.00 0.00 46.19 42.27 3i23 s LEU 346 CO -0.06 -2.43 0.00 1.17 1.01 0.00 0.00 176.35 176.04 3i23 n LYS 347 N -3.73 3.80 0.00 1.70 4.81 -1.26 -4.94 118.16 118.54 3i23 n LYS 347 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3i23 n LYS 347 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 3i23 n LYS 347 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96