#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qi3 s GLN 2 N 0.00 3.63 -0.06 -0.67 0.74 -1.26 -4.98 119.66 117.06 1qi3 s GLN 2 Ca 0.00 2.28 0.21 0.00 0.05 0.00 0.00 55.36 57.91 1qi3 s GLN 2 Cb 0.00 -2.58 0.42 0.00 1.10 0.00 0.00 33.01 31.95 1qi3 s GLN 2 CO 0.00 -0.82 1.18 0.00 -0.55 0.00 0.00 175.29 175.10 1qi3 n ALA 3 N -0.33 2.72 -2.28 1.58 0.00 -1.26 -3.78 120.51 117.16 1qi3 n ALA 3 Ca 0.06 -2.59 -0.07 0.00 0.00 0.00 0.00 53.44 50.84 1qi3 n ALA 3 Cb 0.43 -0.62 0.04 0.00 0.00 0.00 0.00 19.45 19.30 1qi3 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qi3 n GLY 4 N 0.01 0.57 3.91 0.00 0.00 -1.26 -4.41 105.19 104.02 1qi3 n GLY 4 Ca 0.10 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 1qi3 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qi3 s LYS 5 N -3.32 3.61 1.07 1.61 1.02 -1.26 -0.57 119.74 121.89 1qi3 s LYS 5 Ca 0.22 -0.07 -0.15 0.00 0.02 0.00 0.00 55.97 55.99 1qi3 s LYS 5 Cb -0.01 -2.69 0.22 0.00 -0.52 0.00 0.00 37.83 34.84 1qi3 s LYS 5 CO 0.14 0.25 1.11 -1.54 -0.92 0.00 0.00 175.35 174.40 1qi3 s SER 6 N -3.17 2.08 0.45 2.83 1.04 -0.12 -4.84 113.70 111.96 1qi3 s SER 6 Ca 0.43 0.90 0.30 0.00 0.48 0.00 0.00 55.95 58.06 1qi3 s SER 6 Cb -0.11 -1.38 1.62 0.00 0.10 0.00 0.00 66.02 66.25 1qi3 s SER 6 CO 0.30 -3.44 1.92 -0.65 0.98 0.00 0.00 173.24 172.35 1qi3 h PRO 7 N -2.11 0.00 -0.40 4.02 0.11 -1.99 -0.45 132.00 131.19 1qi3 h PRO 7 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qi3 h PRO 7 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1qi3 h PRO 7 CO 0.49 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.37 1qi3 n ASN 8 N -2.56 3.94 -1.63 -2.05 3.02 -1.26 -4.95 115.26 109.77 1qi3 n ASN 8 Ca -0.02 -2.58 -0.16 0.00 -0.03 0.00 0.00 54.58 51.79 1qi3 n ASN 8 Cb 0.06 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1qi3 n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qi3 n ALA 9 N 0.25 -0.40 -2.34 5.41 0.00 -0.18 -5.00 120.51 118.25 1qi3 n ALA 9 Ca 0.20 0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 1qi3 n ALA 9 Cb 0.78 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 1qi3 n ALA 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qi3 s VAL 10 N -2.73 4.66 -1.13 0.00 1.01 -1.26 -4.70 120.40 116.24 1qi3 s VAL 10 Ca 0.00 1.73 -0.17 0.00 0.00 0.00 0.00 61.98 63.54 1qi3 s VAL 10 Cb 0.00 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1qi3 s VAL 10 CO 0.00 0.36 2.13 0.54 0.00 0.00 0.00 175.10 178.14 1qi3 n ARG 11 N 2.72 2.26 -0.20 2.72 1.74 -0.56 -0.95 116.66 124.40 1qi3 n ARG 11 Ca -0.02 -2.18 0.11 0.00 -0.77 0.00 0.00 57.85 54.99 1qi3 n ARG 11 Cb 0.50 -3.05 0.27 0.00 -1.02 0.00 0.00 32.46 29.16 1qi3 n ARG 11 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1qi3 n TYR 12 N 6.44 0.52 -3.82 -1.55 4.11 -1.26 -2.97 117.16 118.63 1qi3 n TYR 12 Ca 0.52 -0.26 -0.35 0.00 -0.00 0.00 0.00 57.90 57.81 1qi3 n TYR 12 Cb 0.37 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.74 1qi3 n TYR 12 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 1qi3 n HIS 13 N 1.13 -1.79 0.00 -3.48 -0.00 -1.02 -1.73 115.22 108.33 1qi3 n HIS 13 Ca 0.19 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.30 1qi3 n HIS 13 Cb 0.51 -3.12 0.00 0.00 -0.00 0.00 0.00 29.99 27.37 1qi3 n HIS 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qi3 n GLY 14 N -1.84 3.05 2.19 1.57 0.00 0.26 -4.04 105.19 106.39 1qi3 n GLY 14 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 1qi3 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi3 n GLY 15 N -2.00 0.84 0.19 -0.02 0.00 -0.71 -4.86 105.19 98.63 1qi3 n GLY 15 Ca 0.00 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.38 1qi3 n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qi3 n ASP 16 N 0.88 2.18 -4.86 1.61 5.68 -1.26 -0.93 116.55 119.85 1qi3 n ASP 16 Ca -0.07 -3.23 -0.31 0.00 -0.50 0.00 0.00 54.79 50.68 1qi3 n ASP 16 Cb 0.25 -0.45 -0.04 0.00 -1.14 0.00 0.00 41.12 39.75 1qi3 n ASP 16 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1qi3 s GLU 17 N -2.89 3.87 -0.20 0.11 0.41 -1.26 -4.99 118.70 113.74 1qi3 s GLU 17 Ca 0.33 0.63 -0.03 0.00 -0.41 0.00 0.00 54.97 55.49 1qi3 s GLU 17 Cb 0.29 -2.33 0.06 0.00 -1.78 0.00 0.00 34.13 30.38 1qi3 s GLU 17 CO 0.01 -0.06 0.06 0.42 -0.49 0.00 0.00 175.26 175.20 1qi3 s ILE 18 N -2.36 0.35 -0.04 -1.63 1.01 -1.26 -4.29 121.20 112.98 1qi3 s ILE 18 Ca 0.54 -0.52 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 1qi3 s ILE 18 Cb -0.10 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1qi3 s ILE 18 CO 0.28 -0.29 0.08 -0.63 0.00 0.00 0.00 174.94 174.38 1qi3 s ILE 19 N 1.93 4.80 -0.17 2.92 1.01 -0.70 -0.12 121.20 130.86 1qi3 s ILE 19 Ca 0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 1qi3 s ILE 19 Cb -0.17 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1qi3 s ILE 19 CO -0.11 0.45 -0.01 -0.22 0.00 0.00 0.00 174.94 175.05 1qi3 s LEU 20 N -1.43 3.33 -0.43 2.97 2.96 -0.49 -0.77 118.68 124.82 1qi3 s LEU 20 Ca 0.20 -0.12 -0.29 0.00 -0.22 0.00 0.00 54.13 53.69 1qi3 s LEU 20 Cb -0.12 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.77 1qi3 s LEU 20 CO 0.10 0.14 1.18 -1.58 -1.32 0.00 0.00 176.35 174.86 1qi3 s GLN 21 N 0.57 3.78 0.00 1.98 0.74 0.92 -1.28 119.66 126.37 1qi3 s GLN 21 Ca -0.01 0.76 0.00 0.00 0.05 0.00 0.00 55.36 56.16 1qi3 s GLN 21 Cb -0.14 -3.89 0.00 0.00 1.10 0.00 0.00 33.01 30.08 1qi3 s GLN 21 CO 0.02 -1.30 0.55 0.41 -0.55 0.00 0.00 175.29 174.42 1qi3 n GLY 22 N 4.66 1.24 3.70 2.59 0.00 0.24 -2.41 105.19 115.22 1qi3 n GLY 22 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1qi3 n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qi3 s PHE 23 N -0.21 -0.06 0.27 1.61 -0.71 -1.26 -4.79 117.98 112.84 1qi3 s PHE 23 Ca 0.00 -0.13 0.03 0.00 -1.04 0.00 0.00 56.93 55.79 1qi3 s PHE 23 Cb 0.00 0.59 -0.06 0.00 -1.21 0.00 0.00 43.02 42.34 1qi3 s PHE 23 CO 0.00 -0.49 0.05 -3.38 -1.34 0.00 0.00 175.22 170.05 1qi3 s HIS 24 N -2.65 1.69 0.27 3.49 -3.43 -1.26 -4.36 115.29 109.04 1qi3 s HIS 24 Ca 0.15 -1.01 -0.02 0.00 -0.80 0.00 0.00 55.06 53.39 1qi3 s HIS 24 Cb 0.02 -1.03 0.44 0.00 -1.43 0.00 0.00 32.58 30.58 1qi3 s HIS 24 CO -0.01 -0.11 1.88 2.35 -2.00 0.00 0.00 174.74 176.85 1qi3 h TRP 25 N 2.33 1.18 -0.39 0.38 2.91 -1.90 -3.20 115.95 117.25 1qi3 h TRP 25 Ca -0.39 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.66 1qi3 h TRP 25 Cb 1.24 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 29.50 1qi3 h TRP 25 CO 0.54 0.60 0.00 0.09 -1.03 0.00 0.00 178.44 178.64 1qi3 n ASN 26 N -4.51 3.16 -0.17 2.65 5.03 -1.26 -4.58 115.26 115.58 1qi3 n ASN 26 Ca 0.16 -2.30 -0.04 0.00 0.87 0.00 0.00 54.58 53.28 1qi3 n ASN 26 Cb 0.21 -0.46 0.06 0.00 -1.02 0.00 0.00 39.78 38.56 1qi3 n ASN 26 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1qi3 h VAL 27 N 2.50 0.91 0.00 2.41 2.07 -1.90 0.56 116.25 122.79 1qi3 h VAL 27 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1qi3 h VAL 27 Cb 1.02 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1qi3 h VAL 27 CO 0.16 0.09 0.00 -0.37 0.02 0.00 0.00 177.57 177.46 1qi3 h VAL 28 N 0.47 0.00 0.01 2.57 -1.51 -1.84 0.26 116.25 116.21 1qi3 h VAL 28 Ca 0.24 -0.13 -0.38 0.00 -1.23 0.00 0.00 66.70 65.20 1qi3 h VAL 28 Cb 0.18 0.90 -0.07 0.00 -2.13 0.00 0.00 31.29 30.18 1qi3 h VAL 28 CO -0.19 0.00 -2.39 0.54 -1.23 0.00 0.00 177.57 174.30 1qi3 n ARG 29 N -2.65 0.67 0.03 5.19 1.74 -0.58 -3.80 116.66 117.26 1qi3 n ARG 29 Ca -0.01 0.11 -0.14 0.00 -0.77 0.00 0.00 57.85 57.04 1qi3 n ARG 29 Cb 0.13 -1.54 -0.14 0.00 -1.02 0.00 0.00 32.46 29.88 1qi3 n ARG 29 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1qi3 h GLU 30 N 0.00 0.16 -1.87 5.56 4.39 -0.70 -3.40 114.58 118.72 1qi3 h GLU 30 Ca -0.55 -0.27 -0.48 0.00 0.34 0.00 0.00 59.36 58.41 1qi3 h GLU 30 Cb 2.03 0.10 -0.40 0.00 -0.10 0.00 0.00 28.75 30.38 1qi3 h GLU 30 CO -0.03 0.94 -1.12 0.00 -1.16 0.00 0.00 179.01 177.63 1qi3 n ALA 31 N -2.66 2.61 -1.68 3.43 0.00 0.89 -5.07 120.51 118.03 1qi3 n ALA 31 Ca -0.18 -3.54 -0.52 0.00 0.00 0.00 0.00 53.44 49.21 1qi3 n ALA 31 Cb 1.04 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 1qi3 n ALA 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qi3 n PRO 32 N 0.15 1.70 -1.21 0.00 -0.04 -1.22 -1.11 135.00 133.26 1qi3 n PRO 32 Ca 0.24 0.62 -0.08 0.00 -0.04 0.00 0.00 63.50 64.23 1qi3 n PRO 32 Cb 0.65 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1qi3 n PRO 32 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qi3 n ASN 33 N 5.35 -5.40 -0.02 3.54 3.02 0.66 -4.77 115.26 117.65 1qi3 n ASN 33 Ca 0.23 0.21 0.01 0.00 -0.03 0.00 0.00 54.58 55.00 1qi3 n ASN 33 Cb 0.22 -3.85 -0.00 0.00 -0.61 0.00 0.00 39.78 35.54 1qi3 n ASN 33 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1qi3 n ASP 34 N -0.94 0.34 -0.13 6.41 2.03 -0.27 -4.19 116.55 119.79 1qi3 n ASP 34 Ca -0.08 -0.67 -0.04 0.00 0.52 0.00 0.00 54.79 54.52 1qi3 n ASP 34 Cb 0.54 0.75 0.03 0.00 -0.72 0.00 0.00 41.12 41.73 1qi3 n ASP 34 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1qi3 h TRP 35 N 0.09 -0.05 -0.10 -0.67 2.91 -1.29 -1.52 115.95 115.32 1qi3 h TRP 35 Ca 0.00 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.02 1qi3 h TRP 35 Cb 0.05 0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 1qi3 h TRP 35 CO 0.00 -0.10 -0.09 1.88 -1.03 0.00 0.00 178.44 179.10 1qi3 h TYR 36 N 0.09 0.14 -0.34 2.65 0.05 -1.75 -1.15 116.97 116.66 1qi3 h TYR 36 Ca 0.21 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.92 1qi3 h TYR 36 Cb 0.31 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 1qi3 h TYR 36 CO -0.29 0.24 -0.02 -0.91 -1.05 0.00 0.00 178.16 176.13 1qi3 h ASN 37 N 0.14 0.62 -0.34 3.88 2.35 -1.59 -2.05 115.58 118.59 1qi3 h ASN 37 Ca 0.03 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1qi3 h ASN 37 Cb 0.26 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1qi3 h ASN 37 CO 0.01 0.79 0.20 0.40 -1.65 0.00 0.00 177.43 177.19 1qi3 h ILE 38 N 0.43 1.04 -0.57 2.81 2.04 -0.70 -1.94 117.51 120.62 1qi3 h ILE 38 Ca 0.09 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1qi3 h ILE 38 Cb 0.49 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1qi3 h ILE 38 CO 0.02 0.08 0.09 -0.07 0.00 0.00 0.00 178.15 178.27 1qi3 h LEU 39 N 0.41 0.86 -0.54 1.44 3.38 -1.17 -1.74 115.31 117.95 1qi3 h LEU 39 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qi3 h LEU 39 Cb -0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1qi3 h LEU 39 CO -0.06 0.86 0.27 -0.09 0.09 0.00 0.00 178.44 179.52 1qi3 h ARG 40 N 0.86 0.78 0.00 1.13 2.43 -1.10 -0.86 114.38 117.61 1qi3 h ARG 40 Ca 0.18 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1qi3 h ARG 40 Cb 0.37 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1qi3 h ARG 40 CO 0.01 0.63 -0.45 1.96 -1.51 0.00 0.00 179.97 180.61 1qi3 h GLN 41 N 0.73 0.00 0.00 0.20 4.20 -1.09 -3.18 115.11 115.96 1qi3 h GLN 41 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1qi3 h GLN 41 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1qi3 h GLN 41 CO -0.03 0.45 -0.56 1.04 -0.67 0.00 0.00 178.83 179.06 1qi3 n GLN 42 N -3.97 0.01 -0.29 1.46 1.13 -0.68 -4.55 117.38 110.48 1qi3 n GLN 42 Ca -0.02 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.08 1qi3 n GLN 42 Cb 0.48 -1.50 0.12 0.00 0.11 0.00 0.00 30.24 29.44 1qi3 n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qi3 h ALA 43 N 2.99 0.60 -0.69 -1.58 0.00 -1.15 0.23 119.26 119.66 1qi3 h ALA 43 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1qi3 h ALA 43 Cb 0.51 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1qi3 h ALA 43 CO 0.00 -0.41 0.21 0.00 0.00 0.00 0.00 179.25 179.05 1qi3 h ALA 44 N 1.83 0.91 -0.09 0.00 0.00 -1.83 -1.46 119.26 118.62 1qi3 h ALA 44 Ca 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1qi3 h ALA 44 Cb 0.65 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qi3 h ALA 44 CO -0.84 0.59 0.03 1.15 0.00 0.00 0.00 179.25 180.18 1qi3 h THR 45 N 1.02 1.16 -0.69 0.00 2.02 -1.31 0.03 112.91 115.16 1qi3 h THR 45 Ca 0.22 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1qi3 h THR 45 Cb 0.31 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1qi3 h THR 45 CO -0.01 0.14 0.44 0.40 0.37 0.00 0.00 175.52 176.87 1qi3 h ILE 46 N -0.03 1.12 -0.39 3.11 2.04 -0.50 -0.86 117.51 122.00 1qi3 h ILE 46 Ca 0.03 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1qi3 h ILE 46 Cb 0.20 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1qi3 h ILE 46 CO -0.00 0.16 0.04 0.00 0.00 0.00 0.00 178.15 178.35 1qi3 h ALA 47 N 1.28 0.52 -0.03 1.87 0.00 -1.11 -2.86 119.26 118.93 1qi3 h ALA 47 Ca 0.27 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1qi3 h ALA 47 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1qi3 h ALA 47 CO -0.09 0.26 -0.17 0.00 0.00 0.00 0.00 179.25 179.25 1qi3 h ALA 48 N 0.91 1.67 0.00 0.00 0.00 -0.54 -2.35 119.26 118.94 1qi3 h ALA 48 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1qi3 h ALA 48 Cb 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qi3 h ALA 48 CO 0.01 0.25 -0.03 -0.44 0.00 0.00 0.00 179.25 179.04 1qi3 h ASP 49 N 0.05 0.00 0.00 0.00 3.32 -0.94 -3.47 116.42 115.38 1qi3 h ASP 49 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1qi3 h ASP 49 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1qi3 h ASP 49 CO 0.02 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1qi3 n GLY 50 N 0.05 1.00 3.75 2.75 0.00 -0.88 -4.84 105.19 107.01 1qi3 n GLY 50 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1qi3 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qi3 s PHE 51 N -2.00 3.67 -1.12 1.61 0.08 -1.21 -4.85 117.98 114.15 1qi3 s PHE 51 Ca 0.00 1.70 0.20 0.00 0.12 0.00 0.00 56.93 58.95 1qi3 s PHE 51 Cb 0.00 -3.21 -0.18 0.00 -0.57 0.00 0.00 43.02 39.05 1qi3 s PHE 51 CO 0.00 -0.36 0.89 -1.13 -0.10 0.00 0.00 175.22 174.52 1qi3 n SER 52 N 1.91 1.12 -3.47 1.36 3.41 0.83 -4.69 113.62 114.08 1qi3 n SER 52 Ca 0.01 -1.06 -0.14 0.00 -0.26 0.00 0.00 58.87 57.42 1qi3 n SER 52 Cb 0.46 0.91 -0.04 0.00 -0.26 0.00 0.00 64.21 65.28 1qi3 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qi3 s ALA 53 N -2.81 -1.60 -0.04 7.33 0.00 -1.10 -1.88 121.76 121.65 1qi3 s ALA 53 Ca 0.09 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1qi3 s ALA 53 Cb 0.16 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.84 1qi3 s ALA 53 CO 0.78 -0.61 -0.09 -1.50 0.00 0.00 0.00 175.76 174.33 1qi3 s ILE 54 N -2.82 0.88 -0.51 0.00 2.07 -0.38 -1.39 121.20 119.05 1qi3 s ILE 54 Ca -0.03 -0.36 -0.20 0.00 -1.41 0.00 0.00 60.65 58.64 1qi3 s ILE 54 Cb -0.01 -0.81 0.05 0.00 0.13 0.00 0.00 42.46 41.83 1qi3 s ILE 54 CO -0.05 0.29 0.68 0.86 -1.91 0.00 0.00 174.94 174.81 1qi3 s TRP 55 N 0.51 3.00 0.48 3.50 -0.00 -0.41 0.31 118.94 126.35 1qi3 s TRP 55 Ca -0.09 -0.43 -0.13 0.00 -0.00 0.00 0.00 56.10 55.45 1qi3 s TRP 55 Cb -0.13 -3.63 -0.07 0.00 -0.00 0.00 0.00 33.47 29.65 1qi3 s TRP 55 CO 0.02 -1.08 0.90 -1.64 -0.00 0.00 0.00 176.95 175.14 1qi3 s MET 56 N 2.87 3.84 1.11 5.86 -1.94 0.92 -0.59 119.30 131.38 1qi3 s MET 56 Ca 0.18 0.72 -0.14 0.00 -1.71 0.00 0.00 55.69 54.74 1qi3 s MET 56 Cb -0.18 -2.24 0.25 0.00 2.01 0.00 0.00 34.83 34.67 1qi3 s MET 56 CO 0.13 -0.20 1.06 -1.25 -0.01 0.00 0.00 175.02 174.76 1qi3 s PRO 57 N -4.09 -0.50 0.04 2.03 0.04 -1.26 -2.89 135.00 128.37 1qi3 s PRO 57 Ca 0.55 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 1qi3 s PRO 57 Cb -0.10 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 1qi3 s PRO 57 CO 0.34 -3.35 1.80 0.08 0.04 0.00 0.00 177.00 175.90 1qi3 s VAL 58 N -2.78 3.05 -0.11 -0.36 1.01 -1.26 -4.16 120.40 115.79 1qi3 s VAL 58 Ca 0.67 0.29 0.25 0.00 0.00 0.00 0.00 61.98 63.19 1qi3 s VAL 58 Cb -0.19 -3.18 0.28 0.00 0.00 0.00 0.00 36.38 33.29 1qi3 s VAL 58 CO 0.60 -0.01 1.73 1.55 0.00 0.00 0.00 175.10 178.97 1qi3 h PRO 59 N 9.44 0.00 -6.32 2.72 0.13 -1.91 -3.45 132.00 132.61 1qi3 h PRO 59 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 1qi3 h PRO 59 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1qi3 h PRO 59 CO 0.94 0.14 0.89 -1.58 -0.23 0.00 0.00 178.00 178.15 1qi3 s TRP 60 N -3.40 2.71 0.34 1.56 0.51 -1.26 -4.28 118.94 115.12 1qi3 s TRP 60 Ca 0.03 0.75 -0.29 0.00 -2.12 0.00 0.00 56.10 54.47 1qi3 s TRP 60 Cb 0.08 -3.68 -0.12 0.00 -0.81 0.00 0.00 33.47 28.95 1qi3 s TRP 60 CO 0.64 -2.55 1.47 2.89 -0.51 0.00 0.00 176.95 178.90 1qi3 n ARG 61 N 5.87 2.54 -3.79 4.98 1.85 -0.16 -4.79 116.66 123.17 1qi3 n ARG 61 Ca 0.14 0.89 -0.27 0.00 -1.00 0.00 0.00 57.85 57.62 1qi3 n ARG 61 Cb 0.44 -2.61 -0.17 0.00 -1.05 0.00 0.00 32.46 29.07 1qi3 n ARG 61 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1qi3 s ASP 62 N 0.01 2.55 -0.21 2.89 -1.08 -1.26 -2.56 116.67 117.01 1qi3 s ASP 62 Ca 0.57 -0.59 0.13 0.00 -0.52 0.00 0.00 52.55 52.15 1qi3 s ASP 62 Cb -0.51 -0.64 0.43 0.00 -1.46 0.00 0.00 42.92 40.74 1qi3 s ASP 62 CO 0.59 -0.24 1.31 0.49 0.52 0.00 0.00 175.17 177.84 1qi3 n PHE 63 N 5.03 0.49 -1.12 -5.34 3.72 -1.26 -4.01 117.46 114.96 1qi3 n PHE 63 Ca -0.09 -1.29 -0.29 0.00 -0.05 0.00 0.00 57.45 55.73 1qi3 n PHE 63 Cb 0.48 -0.31 0.17 0.00 -0.94 0.00 0.00 39.48 38.88 1qi3 n PHE 63 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1qi3 s SER 64 N -2.71 2.83 -0.26 4.37 1.04 -1.26 -4.84 113.70 112.86 1qi3 s SER 64 Ca 0.39 1.37 -0.23 0.00 0.48 0.00 0.00 55.95 57.96 1qi3 s SER 64 Cb 0.35 -2.04 0.07 0.00 0.10 0.00 0.00 66.02 64.50 1qi3 s SER 64 CO 0.00 -3.03 0.69 -0.55 0.98 0.00 0.00 173.24 171.33 1qi3 s SER 65 N -3.34 -0.75 0.14 7.02 0.15 -1.26 -3.00 113.70 112.66 1qi3 s SER 65 Ca 0.65 1.40 -0.15 0.00 0.70 0.00 0.00 55.95 58.55 1qi3 s SER 65 Cb -0.19 1.40 0.02 0.00 -1.71 0.00 0.00 66.02 65.54 1qi3 s SER 65 CO 0.58 -0.24 0.38 -1.66 1.20 0.00 0.00 173.24 173.50 1qi3 s TRP 66 N 0.56 -0.08 -0.28 3.44 1.48 -0.80 -4.94 118.94 118.32 1qi3 s TRP 66 Ca -0.02 -0.26 -0.19 0.00 -1.06 0.00 0.00 56.10 54.57 1qi3 s TRP 66 Cb -0.05 0.21 0.10 0.00 -1.16 0.00 0.00 33.47 32.57 1qi3 s TRP 66 CO -0.02 -0.72 0.83 0.45 -4.06 0.00 0.00 176.95 173.43 1qi3 s SER 67 N -2.84 -0.71 -0.35 -2.66 0.15 -1.26 -2.05 113.70 103.98 1qi3 s SER 67 Ca 0.06 1.20 0.02 0.00 0.70 0.00 0.00 55.95 57.92 1qi3 s SER 67 Cb 0.02 1.27 0.15 0.00 -1.71 0.00 0.00 66.02 65.75 1qi3 s SER 67 CO -0.09 -0.19 0.33 1.51 1.20 0.00 0.00 173.24 176.00 1qi3 s ASP 68 N 1.11 1.57 0.71 5.45 1.47 0.12 -5.01 116.67 122.10 1qi3 s ASP 68 Ca -0.06 -1.48 0.00 0.00 1.18 0.00 0.00 52.55 52.19 1qi3 s ASP 68 Cb -0.05 0.40 0.00 0.00 -0.34 0.00 0.00 42.92 42.93 1qi3 s ASP 68 CO -0.13 -0.30 0.00 0.61 0.68 0.00 0.00 175.17 176.03 1qi3 n GLY 69 N 4.47 1.61 0.10 2.12 0.00 -1.26 -3.32 105.19 108.91 1qi3 n GLY 69 Ca 0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 1qi3 n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qi3 h SER 70 N 0.00 0.00 -3.36 1.61 4.64 -2.03 -3.45 113.55 110.96 1qi3 h SER 70 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1qi3 h SER 70 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1qi3 h SER 70 CO 0.00 0.73 0.23 -0.54 -0.87 0.00 0.00 176.83 176.38 1qi3 s LYS 71 N -2.87 4.42 0.07 4.77 1.02 -1.21 -5.02 119.74 120.92 1qi3 s LYS 71 Ca 0.02 1.01 -0.02 0.00 0.02 0.00 0.00 55.97 57.01 1qi3 s LYS 71 Cb 0.09 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1qi3 s LYS 71 CO 0.78 -0.07 0.01 -1.54 -0.92 0.00 0.00 175.35 173.60 1qi3 s SER 72 N 0.95 0.42 0.00 2.83 1.04 -1.26 -0.71 113.70 116.97 1qi3 s SER 72 Ca 0.40 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1qi3 s SER 72 Cb -0.18 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1qi3 s SER 72 CO 0.18 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1qi3 n GLY 73 N 0.05 1.37 0.00 7.32 0.00 -0.87 -4.99 105.19 108.07 1qi3 n GLY 73 Ca -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1qi3 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi3 n GLY 74 N 0.00 3.34 1.99 -0.02 0.00 -1.26 -1.90 105.19 107.34 1qi3 n GLY 74 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1qi3 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi3 n GLY 75 N -0.98 0.74 0.13 -0.02 0.00 -1.16 -4.86 105.19 99.03 1qi3 n GLY 75 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1qi3 n GLY 75 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qi3 h GLU 76 N 2.42 0.00 0.00 1.61 3.07 -1.92 -3.42 114.58 116.34 1qi3 h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qi3 h GLU 76 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1qi3 h GLU 76 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1qi3 n GLY 77 N 0.88 2.22 0.00 -3.84 0.00 -1.26 -4.52 105.19 98.68 1qi3 n GLY 77 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1qi3 n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qi3 n TYR 78 N -0.30 0.00 -2.95 1.61 4.01 -1.26 -3.65 117.16 114.62 1qi3 n TYR 78 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1qi3 n TYR 78 Cb 0.00 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.01 1qi3 n TYR 78 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1qi3 n PHE 79 N -1.01 0.55 -1.52 -0.72 7.35 -1.26 -4.90 117.46 115.94 1qi3 n PHE 79 Ca 0.22 -3.33 -0.33 0.00 -0.76 0.00 0.00 57.45 53.25 1qi3 n PHE 79 Cb 0.11 -0.36 0.07 0.00 0.35 0.00 0.00 39.48 39.65 1qi3 n PHE 79 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1qi3 s TRP 80 N -2.68 2.41 -0.03 -5.13 1.48 -1.24 -4.31 118.94 109.45 1qi3 s TRP 80 Ca 0.34 1.58 0.09 0.00 -1.06 0.00 0.00 56.10 57.05 1qi3 s TRP 80 Cb 0.40 -3.23 -0.13 0.00 -1.16 0.00 0.00 33.47 29.35 1qi3 s TRP 80 CO -0.03 -1.99 0.16 -2.39 -4.06 0.00 0.00 176.95 168.64 1qi3 n HIS 81 N -2.81 0.00 -3.84 1.66 1.44 -1.06 0.71 115.22 111.32 1qi3 n HIS 81 Ca 0.11 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.75 1qi3 n HIS 81 Cb 0.52 -0.25 -0.00 0.00 0.12 0.00 0.00 29.99 30.37 1qi3 n HIS 81 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1qi3 s ASP 82 N -3.26 -0.16 0.00 4.39 1.47 -1.26 -4.45 116.67 113.41 1qi3 s ASP 82 Ca -0.03 -0.79 0.07 0.00 1.18 0.00 0.00 52.55 52.98 1qi3 s ASP 82 Cb 0.05 0.75 0.29 0.00 -0.34 0.00 0.00 42.92 43.67 1qi3 s ASP 82 CO 0.37 -1.44 1.21 0.49 0.68 0.00 0.00 175.17 176.48 1qi3 n PHE 83 N -0.49 0.18 -2.05 2.11 3.72 -1.26 -3.71 117.46 115.96 1qi3 n PHE 83 Ca -0.06 -0.09 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 1qi3 n PHE 83 Cb 0.59 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 1qi3 n PHE 83 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1qi3 s ASN 84 N -1.11 6.71 0.00 4.37 3.84 -1.26 -4.75 114.94 122.74 1qi3 s ASN 84 Ca 0.14 2.56 0.22 0.00 0.21 0.00 0.00 52.86 55.99 1qi3 s ASN 84 Cb 0.07 -2.61 0.89 0.00 -0.55 0.00 0.00 41.25 39.05 1qi3 s ASN 84 CO 0.10 -0.69 1.62 0.29 -2.79 0.00 0.00 177.10 175.63 1qi3 n LYS 85 N 2.96 1.59 -2.89 0.43 4.76 -1.26 -0.99 118.16 122.75 1qi3 n LYS 85 Ca 0.09 -0.88 -0.44 0.00 -2.87 0.00 0.00 58.31 54.21 1qi3 n LYS 85 Cb 0.41 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1qi3 n LYS 85 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1qi3 n ASN 86 N 0.09 5.20 0.00 4.39 4.13 -1.26 -3.85 115.26 123.96 1qi3 n ASN 86 Ca 0.16 -2.98 0.00 0.00 1.68 0.00 0.00 54.58 53.44 1qi3 n ASN 86 Cb 0.29 -1.58 0.00 0.00 -1.54 0.00 0.00 39.78 36.95 1qi3 n ASN 86 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qi3 n GLY 87 N 4.09 5.13 0.05 7.41 0.00 -1.17 -4.84 105.19 115.87 1qi3 n GLY 87 Ca 0.38 -1.99 0.14 0.00 0.00 0.00 0.00 46.02 44.55 1qi3 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qi3 n ARG 88 N 0.00 0.51 0.05 1.61 5.12 -1.26 -3.36 116.66 119.33 1qi3 n ARG 88 Ca 0.00 -0.10 0.06 0.00 -1.93 0.00 0.00 57.85 55.87 1qi3 n ARG 88 Cb 0.00 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.74 1qi3 n ARG 88 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1qi3 n TYR 89 N -1.15 0.83 -0.11 -1.55 4.01 -1.26 -0.24 117.16 117.68 1qi3 n TYR 89 Ca 0.14 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 1qi3 n TYR 89 Cb 0.26 -0.96 0.00 0.00 -0.31 0.00 0.00 39.34 38.33 1qi3 n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qi3 n GLY 90 N 1.30 -0.18 3.91 2.72 0.00 -1.21 -2.04 105.19 109.69 1qi3 n GLY 90 Ca -0.06 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1qi3 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qi3 s SER 91 N -0.36 3.87 0.11 1.61 1.04 -1.26 -3.05 113.70 115.66 1qi3 s SER 91 Ca 0.00 0.55 -0.19 0.00 0.48 0.00 0.00 55.95 56.80 1qi3 s SER 91 Cb 0.00 -0.84 -0.06 0.00 0.10 0.00 0.00 66.02 65.21 1qi3 s SER 91 CO 0.00 -2.29 1.67 -0.78 0.98 0.00 0.00 173.24 172.82 1qi3 h ASP 92 N -1.33 0.34 -0.59 7.02 1.82 -1.95 -0.91 116.42 120.82 1qi3 h ASP 92 Ca -0.45 -0.14 0.05 0.00 -0.39 0.00 0.00 57.03 56.10 1qi3 h ASP 92 Cb 1.29 -0.09 -0.05 0.00 0.68 0.00 0.00 39.33 41.16 1qi3 h ASP 92 CO 0.53 0.39 0.31 0.00 -1.61 0.00 0.00 179.24 178.87 1qi3 h ALA 93 N 0.97 0.76 -0.23 -0.78 0.00 -1.93 -0.21 119.26 117.84 1qi3 h ALA 93 Ca 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1qi3 h ALA 93 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1qi3 h ALA 93 CO -0.01 -0.01 -0.20 1.96 0.00 0.00 0.00 179.25 180.99 1qi3 h GLN 94 N 0.60 0.41 -0.05 0.00 4.20 -1.85 -2.00 115.11 116.41 1qi3 h GLN 94 Ca 0.26 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1qi3 h GLN 94 Cb 0.15 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1qi3 h GLN 94 CO -0.16 0.60 -0.00 1.25 -0.67 0.00 0.00 178.83 179.84 1qi3 h LEU 95 N 0.37 0.09 -0.73 1.46 6.46 -0.38 0.29 115.31 122.86 1qi3 h LEU 95 Ca 0.06 -0.31 0.06 0.00 -0.12 0.00 0.00 57.88 57.57 1qi3 h LEU 95 Cb 0.57 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 1qi3 h LEU 95 CO 0.04 0.38 0.43 0.03 -0.62 0.00 0.00 178.44 178.69 1qi3 h ARG 96 N -0.21 0.76 -0.21 1.25 3.08 -0.89 0.15 114.38 118.31 1qi3 h ARG 96 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1qi3 h ARG 96 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1qi3 h ARG 96 CO 0.00 0.50 0.08 1.96 -1.07 0.00 0.00 179.97 181.44 1qi3 h GLN 97 N 0.78 0.32 -0.04 0.04 4.20 -1.07 -1.04 115.11 118.30 1qi3 h GLN 97 Ca 0.33 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.99 1qi3 h GLN 97 Cb 0.19 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1qi3 h GLN 97 CO -0.18 0.39 -0.07 0.00 -0.67 0.00 0.00 178.83 178.30 1qi3 h ALA 98 N 0.91 -0.04 -0.10 3.87 0.00 0.04 -0.84 119.26 123.11 1qi3 h ALA 98 Ca 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1qi3 h ALA 98 Cb 0.20 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1qi3 h ALA 98 CO -0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 179.25 178.49 1qi3 h ALA 99 N 0.92 1.48 -0.22 0.00 0.00 -0.57 -1.38 119.26 119.50 1qi3 h ALA 99 Ca 0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1qi3 h ALA 99 Cb 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1qi3 h ALA 99 CO -0.11 0.37 -0.35 1.03 0.00 0.00 0.00 179.25 180.19 1qi3 h SER 100 N 0.15 0.68 -0.12 0.00 0.87 -0.94 -1.93 113.55 112.26 1qi3 h SER 100 Ca 0.03 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.05 1qi3 h SER 100 Cb 0.45 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1qi3 h SER 100 CO 0.03 1.07 0.02 0.00 -0.53 0.00 0.00 176.83 177.43 1qi3 h ALA 101 N 0.62 0.15 0.06 6.23 0.00 -0.86 0.03 119.26 125.49 1qi3 h ALA 101 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qi3 h ALA 101 Cb 0.93 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1qi3 h ALA 101 CO 0.08 -0.21 -0.07 -0.07 0.00 0.00 0.00 179.25 178.98 1qi3 h LEU 102 N -0.02 -0.18 -1.31 0.00 4.07 -1.30 -1.40 115.31 115.17 1qi3 h LEU 102 Ca 0.04 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 1qi3 h LEU 102 Cb 0.27 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1qi3 h LEU 102 CO 0.00 -0.11 0.07 1.23 -1.08 0.00 0.00 178.44 178.55 1qi3 h GLY 103 N -0.15 0.58 1.03 0.83 0.00 -1.25 0.27 103.07 104.37 1qi3 h GLY 103 Ca 0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1qi3 h GLY 103 CO -0.03 0.29 0.11 -1.33 0.00 0.00 0.00 176.54 175.58 1qi3 h GLY 104 N 0.78 1.04 0.50 4.60 0.00 -0.48 -2.77 103.07 106.74 1qi3 h GLY 104 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1qi3 h GLY 104 CO -0.00 0.64 0.00 0.00 0.00 0.00 0.00 176.54 177.18 1qi3 n ALA 105 N -2.43 2.56 -0.86 3.60 0.00 -0.57 -4.89 120.51 117.91 1qi3 n ALA 105 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1qi3 n ALA 105 Cb 0.27 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1qi3 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qi3 n GLY 106 N 0.70 0.48 3.49 0.00 0.00 -1.04 -4.82 105.19 103.99 1qi3 n GLY 106 Ca 0.12 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1qi3 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qi3 s VAL 107 N -2.00 4.87 0.41 1.61 1.01 0.05 -4.83 120.40 121.52 1qi3 s VAL 107 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 1qi3 s VAL 107 Cb 0.00 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 1qi3 s VAL 107 CO 0.00 0.12 1.29 -0.54 0.00 0.00 0.00 175.10 175.97 1qi3 s LYS 108 N 1.67 3.92 -0.22 2.72 1.02 -0.79 -3.01 119.74 125.05 1qi3 s LYS 108 Ca 0.06 2.13 -0.07 0.00 0.02 0.00 0.00 55.97 58.10 1qi3 s LYS 108 Cb -0.17 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1qi3 s LYS 108 CO 0.08 -0.52 0.06 0.14 -0.92 0.00 0.00 175.35 174.19 1qi3 s VAL 109 N -1.28 4.50 -0.21 3.17 -7.23 -1.26 -1.24 120.40 116.84 1qi3 s VAL 109 Ca 0.58 -0.12 -0.06 0.00 -1.81 0.00 0.00 61.98 60.56 1qi3 s VAL 109 Cb -0.37 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.47 1qi3 s VAL 109 CO 0.48 0.39 0.04 -0.76 -0.31 0.00 0.00 175.10 174.94 1qi3 s LEU 110 N 1.05 3.50 -0.05 1.32 1.43 0.15 0.12 118.68 126.19 1qi3 s LEU 110 Ca 0.04 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1qi3 s LEU 110 Cb -0.14 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1qi3 s LEU 110 CO 0.03 0.07 0.20 -0.31 0.23 0.00 0.00 176.35 176.58 1qi3 s TYR 111 N 0.96 3.59 -0.10 0.29 2.02 -0.36 -0.05 117.35 123.70 1qi3 s TYR 111 Ca 0.03 0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 56.96 1qi3 s TYR 111 Cb -0.14 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.46 1qi3 s TYR 111 CO 0.02 0.68 1.01 0.34 -1.57 0.00 0.00 175.55 176.03 1qi3 s ASP 112 N -1.45 7.25 -0.03 2.29 -1.08 -1.14 0.20 116.67 122.71 1qi3 s ASP 112 Ca 0.22 1.55 0.05 0.00 -0.52 0.00 0.00 52.55 53.85 1qi3 s ASP 112 Cb -0.13 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.77 1qi3 s ASP 112 CO 0.12 -0.44 -0.18 0.68 0.52 0.00 0.00 175.17 175.87 1qi3 s VAL 113 N 1.95 1.45 -0.76 1.11 -7.23 0.60 -4.19 120.40 113.34 1qi3 s VAL 113 Ca 0.49 -0.76 0.03 0.00 -1.81 0.00 0.00 61.98 59.93 1qi3 s VAL 113 Cb -0.19 -1.23 0.20 0.00 0.56 0.00 0.00 36.38 35.73 1qi3 s VAL 113 CO 0.19 0.42 0.66 0.52 -0.31 0.00 0.00 175.10 176.57 1qi3 n VAL 114 N 2.89 2.28 0.37 1.32 0.31 -1.26 -1.44 118.33 122.79 1qi3 n VAL 114 Ca -0.16 -5.05 0.14 0.00 -0.01 0.00 0.00 64.34 59.25 1qi3 n VAL 114 Cb 0.53 -2.22 0.43 0.00 -0.91 0.00 0.00 33.84 31.68 1qi3 n VAL 114 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1qi3 h PRO 115 N 5.29 0.00 -0.58 5.55 0.11 -1.97 -3.36 132.00 137.04 1qi3 h PRO 115 Ca 0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 1qi3 h PRO 115 Cb 0.74 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1qi3 h PRO 115 CO 0.80 0.00 0.07 -0.97 -0.21 0.00 0.00 178.00 177.69 1qi3 h ASN 116 N 0.00 0.95 -5.27 -2.05 -1.24 -1.89 -3.44 115.58 102.63 1qi3 h ASN 116 Ca 0.00 -0.27 -0.12 0.00 0.71 0.00 0.00 56.30 56.62 1qi3 h ASN 116 Cb 0.67 -0.25 -0.06 0.00 0.73 0.00 0.00 38.32 39.41 1qi3 h ASN 116 CO 0.00 0.98 -0.03 -1.38 -1.29 0.00 0.00 177.43 175.72 1qi3 s HIS 117 N -5.15 0.52 0.17 0.67 -3.43 -1.26 -1.81 115.29 105.00 1qi3 s HIS 117 Ca -0.12 -0.92 -0.16 0.00 -0.80 0.00 0.00 55.06 53.06 1qi3 s HIS 117 Cb 0.13 0.28 0.02 0.00 -1.43 0.00 0.00 32.58 31.59 1qi3 s HIS 117 CO 0.83 -1.21 0.45 0.00 -2.00 0.00 0.00 174.74 172.82 1qi3 s MET 118 N -3.23 1.26 -1.30 -0.38 0.23 -1.11 -4.85 119.30 109.92 1qi3 s MET 118 Ca 0.23 -0.88 -0.18 0.00 -1.03 0.00 0.00 55.69 53.83 1qi3 s MET 118 Cb -0.02 0.48 0.05 0.00 -1.53 0.00 0.00 34.83 33.81 1qi3 s MET 118 CO 0.14 -0.51 1.82 -1.71 -2.03 0.00 0.00 175.02 172.72 1qi3 n ASN 119 N -0.29 4.60 -0.28 -1.18 4.05 0.22 -4.78 115.26 117.60 1qi3 n ASN 119 Ca -0.11 -2.89 0.09 0.00 0.45 0.00 0.00 54.58 52.13 1qi3 n ASN 119 Cb 0.63 -1.73 0.25 0.00 1.23 0.00 0.00 39.78 40.16 1qi3 n ASN 119 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1qi3 h ARG 120 N 7.59 0.36 -0.00 1.20 2.43 -1.90 -2.14 114.38 121.92 1qi3 h ARG 120 Ca 0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1qi3 h ARG 120 Cb 0.85 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1qi3 h ARG 120 CO 1.50 0.24 -0.04 0.41 -1.51 0.00 0.00 179.97 180.56 1qi3 n GLY 121 N -1.34 -1.04 3.66 2.80 0.00 -1.26 -4.88 105.19 103.13 1qi3 n GLY 121 Ca 0.18 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1qi3 n GLY 121 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qi3 s TYR 122 N -2.39 1.68 0.16 1.61 5.04 -0.81 -4.87 117.35 117.77 1qi3 s TYR 122 Ca 0.33 -0.12 -0.15 0.00 -2.44 0.00 0.00 57.07 54.69 1qi3 s TYR 122 Cb 0.21 -4.08 0.05 0.00 0.35 0.00 0.00 41.96 38.48 1qi3 s TYR 122 CO 0.44 -4.69 1.82 -1.00 -1.34 0.00 0.00 175.55 170.78 1qi3 h PRO 123 N 9.94 0.60 -4.51 4.97 0.13 -1.90 -3.38 132.00 137.85 1qi3 h PRO 123 Ca -0.44 -0.04 -0.70 0.00 -0.87 0.00 0.00 66.00 63.95 1qi3 h PRO 123 Cb 1.21 -0.13 -0.34 0.00 0.13 0.00 0.00 31.00 31.87 1qi3 h PRO 123 CO 0.95 0.39 -0.55 0.34 -0.23 0.00 0.00 178.00 178.90 1qi3 s ASP 124 N -5.60 5.26 0.10 1.44 2.15 -1.26 -5.05 116.67 113.70 1qi3 s ASP 124 Ca -0.13 -1.90 -0.10 0.00 0.43 0.00 0.00 52.55 50.86 1qi3 s ASP 124 Cb 0.12 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 1qi3 s ASP 124 CO 0.73 -0.52 0.22 -1.59 -0.17 0.00 0.00 175.17 173.85 1qi3 s LYS 125 N 1.18 0.90 0.09 4.34 -2.85 -1.26 -5.02 119.74 117.12 1qi3 s LYS 125 Ca 0.06 -0.95 0.25 0.00 -1.00 0.00 0.00 55.97 54.33 1qi3 s LYS 125 Cb -0.23 0.36 0.55 0.00 -2.06 0.00 0.00 37.83 36.46 1qi3 s LYS 125 CO -0.03 -0.30 1.48 0.39 0.10 0.00 0.00 175.35 176.99 1qi3 n GLU 126 N -0.09 0.19 -4.00 1.78 1.02 -1.26 -4.75 120.64 113.53 1qi3 n GLU 126 Ca -0.14 0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 56.73 1qi3 n GLU 126 Cb 0.63 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 30.26 1qi3 n GLU 126 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qi3 s ILE 127 N -3.10 2.61 -0.19 -3.67 1.01 -1.26 -5.07 121.20 111.53 1qi3 s ILE 127 Ca 0.09 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1qi3 s ILE 127 Cb 0.15 -2.39 0.05 0.00 0.01 0.00 0.00 42.46 40.28 1qi3 s ILE 127 CO 0.68 0.13 -0.02 0.20 0.00 0.00 0.00 174.94 175.92 1qi3 s ASN 128 N 1.25 3.12 -0.28 3.58 -0.87 -1.26 -4.94 114.94 115.54 1qi3 s ASN 128 Ca -0.03 -0.85 -0.06 0.00 -1.57 0.00 0.00 52.86 50.36 1qi3 s ASN 128 Cb -0.18 -0.88 0.01 0.00 -0.02 0.00 0.00 41.25 40.18 1qi3 s ASN 128 CO -0.05 -0.24 0.05 -0.76 -2.57 0.00 0.00 177.10 173.53 1qi3 s LEU 129 N 1.64 3.64 0.77 0.60 1.43 -1.26 -5.10 118.68 120.39 1qi3 s LEU 129 Ca -0.02 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.32 1qi3 s LEU 129 Cb -0.17 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.26 1qi3 s LEU 129 CO -0.07 -0.15 1.08 -2.16 0.23 0.00 0.00 176.35 175.28 1qi3 s PRO 130 N 1.48 2.34 0.51 1.29 0.04 -1.26 -5.03 135.00 134.37 1qi3 s PRO 130 Ca 0.03 1.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.94 1qi3 s PRO 130 Cb -0.17 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1qi3 s PRO 130 CO 0.01 -1.54 0.94 0.00 0.04 0.00 0.00 177.00 176.45 1qi3 s ALA 131 N -2.97 3.13 0.00 8.56 0.00 -1.26 -4.24 121.76 124.98 1qi3 s ALA 131 Ca 0.60 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1qi3 s ALA 131 Cb -0.16 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1qi3 s ALA 131 CO 0.56 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1qi3 n GLY 132 N -1.68 0.58 0.17 0.00 0.00 -1.26 -4.90 105.19 98.09 1qi3 n GLY 132 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1qi3 n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qi3 n GLN 133 N -2.84 1.84 -0.98 1.61 1.13 -1.26 -5.00 117.38 111.88 1qi3 n GLN 133 Ca 0.00 -0.56 0.00 0.00 -1.94 0.00 0.00 57.00 54.50 1qi3 n GLN 133 Cb 0.00 -1.00 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1qi3 n GLN 133 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qi3 n GLY 134 N 0.66 0.64 0.13 1.08 0.00 -1.26 -4.97 105.19 101.47 1qi3 n GLY 134 Ca 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.34 1qi3 n GLY 134 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qi3 h PHE 135 N 0.00 0.00 -3.37 1.61 0.04 -1.91 -3.43 116.94 109.88 1qi3 h PHE 135 Ca 0.00 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.12 1qi3 h PHE 135 Cb 0.26 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.26 1qi3 h PHE 135 CO 0.00 0.44 -0.73 -1.58 -0.60 0.00 0.00 178.31 175.84 1qi3 s TRP 136 N -3.01 2.71 0.20 -0.55 0.52 -1.26 -0.69 118.94 116.87 1qi3 s TRP 136 Ca 0.02 -0.18 -0.11 0.00 0.02 0.00 0.00 56.10 55.85 1qi3 s TRP 136 Cb 0.08 -1.39 0.15 0.00 -1.15 0.00 0.00 33.47 31.16 1qi3 s TRP 136 CO 0.76 0.45 1.86 -0.09 0.02 0.00 0.00 176.95 179.96 1qi3 h ARG 137 N 3.36 0.89 -0.15 4.98 2.43 -0.94 -2.35 114.38 122.60 1qi3 h ARG 137 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1qi3 h ARG 137 Cb 1.18 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1qi3 h ARG 137 CO 0.53 0.59 0.00 0.27 -1.51 0.00 0.00 179.97 179.85 1qi3 n ASN 138 N -4.62 0.15 0.03 -3.80 0.23 -1.26 -2.03 115.26 103.97 1qi3 n ASN 138 Ca 0.06 -1.87 0.14 0.00 -0.53 0.00 0.00 54.58 52.38 1qi3 n ASN 138 Cb 0.03 -0.08 0.53 0.00 -2.08 0.00 0.00 39.78 38.18 1qi3 n ASN 138 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1qi3 n ASP 139 N -0.41 0.28 -4.69 0.53 8.00 -0.88 -4.78 116.55 114.60 1qi3 n ASP 139 Ca 0.00 0.48 -0.28 0.00 0.71 0.00 0.00 54.79 55.70 1qi3 n ASP 139 Cb 0.04 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 40.51 1qi3 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qi3 s ALA 141 N -2.71 3.47 -0.58 0.00 0.00 -1.26 -4.98 121.76 115.70 1qi3 s ALA 141 Ca 0.31 0.75 0.03 0.00 0.00 0.00 0.00 51.96 53.05 1qi3 s ALA 141 Cb 0.06 -3.50 0.14 0.00 0.00 0.00 0.00 23.12 19.82 1qi3 s ALA 141 CO 0.17 -0.67 0.34 0.34 0.00 0.00 0.00 175.76 175.94 1qi3 s ASP 142 N 1.39 4.61 0.02 0.00 2.15 -1.26 -4.59 116.67 118.99 1qi3 s ASP 142 Ca 0.58 -3.11 -0.11 0.00 0.43 0.00 0.00 52.55 50.34 1qi3 s ASP 142 Cb -0.28 -1.69 -0.06 0.00 -0.30 0.00 0.00 42.92 40.59 1qi3 s ASP 142 CO 0.25 -0.24 1.17 -0.65 -0.17 0.00 0.00 175.17 175.53 1qi3 h PRO 143 N 6.45 -0.36 0.00 4.34 0.11 -1.93 -3.48 132.00 137.13 1qi3 h PRO 143 Ca -0.03 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1qi3 h PRO 143 Cb 0.88 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1qi3 h PRO 143 CO 0.70 -0.24 0.00 0.41 -0.21 0.00 0.00 178.00 178.67 1qi3 n GLY 144 N -1.19 3.73 3.56 -0.55 0.00 -1.26 -5.04 105.19 104.44 1qi3 n GLY 144 Ca -0.05 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 1qi3 n GLY 144 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qi3 n ASN 145 N -0.58 3.96 -3.50 1.61 4.05 -1.26 -4.73 115.26 114.81 1qi3 n ASN 145 Ca 0.00 -2.81 -0.17 0.00 0.45 0.00 0.00 54.58 52.06 1qi3 n ASN 145 Cb 0.00 -1.73 -0.05 0.00 1.23 0.00 0.00 39.78 39.22 1qi3 n ASN 145 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1qi3 s TYR 146 N 7.62 -0.63 0.30 1.20 6.14 -1.26 -4.89 117.35 125.83 1qi3 s TYR 146 Ca 0.61 0.95 -0.29 0.00 0.64 0.00 0.00 57.07 58.98 1qi3 s TYR 146 Cb 0.02 0.44 -0.13 0.00 0.42 0.00 0.00 41.96 42.72 1qi3 s TYR 146 CO 0.11 -0.66 1.31 -2.30 0.64 0.00 0.00 175.55 174.65 1qi3 n PRO 147 N 0.62 2.03 -1.48 4.97 -0.02 -1.22 -4.80 135.00 135.10 1qi3 n PRO 147 Ca -0.18 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1qi3 n PRO 147 Cb 0.59 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1qi3 n PRO 147 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1qi3 n ASN 148 N 1.32 1.94 -0.01 2.55 6.94 -0.12 -4.97 115.26 122.91 1qi3 n ASN 148 Ca 0.08 -0.75 0.14 0.00 -0.02 0.00 0.00 54.58 54.02 1qi3 n ASN 148 Cb 0.34 0.00 0.56 0.00 -2.36 0.00 0.00 39.78 38.32 1qi3 n ASN 148 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1qi3 n ASP 149 N -0.80 0.13 -0.71 0.53 8.00 -1.26 -3.21 116.55 119.23 1qi3 n ASP 149 Ca 0.00 0.24 0.06 0.00 0.71 0.00 0.00 54.79 55.80 1qi3 n ASP 149 Cb 0.00 -0.31 0.17 0.00 -0.02 0.00 0.00 41.12 40.96 1qi3 n ASP 149 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qi3 s ASP 151 N -1.04 -0.60 -0.05 0.00 2.15 -1.20 -3.75 116.67 112.19 1qi3 s ASP 151 Ca 0.26 0.34 0.01 0.00 0.43 0.00 0.00 52.55 53.59 1qi3 s ASP 151 Cb 0.14 1.49 0.11 0.00 -0.30 0.00 0.00 42.92 44.36 1qi3 s ASP 151 CO 0.17 -0.11 0.94 -0.90 -0.17 0.00 0.00 175.17 175.09 1qi3 n ASP 152 N 5.44 2.49 -1.28 -0.34 5.68 -1.26 -0.94 116.55 126.33 1qi3 n ASP 152 Ca -0.05 -2.19 -0.02 0.00 -0.50 0.00 0.00 54.79 52.03 1qi3 n ASP 152 Cb 0.54 -0.54 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1qi3 n ASP 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qi3 n GLY 153 N 0.18 3.29 3.68 6.12 0.00 -1.25 -4.16 105.19 113.06 1qi3 n GLY 153 Ca 0.07 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1qi3 n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qi3 s ASP 154 N -1.30 2.49 0.31 1.61 1.01 -0.66 -3.45 116.67 116.67 1qi3 s ASP 154 Ca 0.04 1.05 0.08 0.00 0.71 0.00 0.00 52.55 54.44 1qi3 s ASP 154 Cb -0.00 -1.65 -0.04 0.00 1.01 0.00 0.00 42.92 42.24 1qi3 s ASP 154 CO 0.03 -3.20 0.11 0.00 0.21 0.00 0.00 175.17 172.33 1qi3 s ARG 155 N -5.08 2.43 -0.46 8.23 1.70 -1.26 -4.34 118.95 120.17 1qi3 s ARG 155 Ca 0.66 -1.45 -0.17 0.00 -0.47 0.00 0.00 55.73 54.30 1qi3 s ARG 155 Cb -0.17 -2.23 0.05 0.00 -0.57 0.00 0.00 34.95 32.03 1qi3 s ARG 155 CO 0.57 0.21 0.49 0.12 -1.08 0.00 0.00 175.30 175.61 1qi3 s PHE 156 N -2.36 3.15 0.00 5.89 5.36 -1.26 -4.86 117.98 123.90 1qi3 s PHE 156 Ca 0.36 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 1qi3 s PHE 156 Cb -0.04 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 1qi3 s PHE 156 CO 0.22 -0.83 0.00 -0.89 -1.46 0.00 0.00 175.22 172.26 1qi3 n ILE 157 N 5.44 0.00 0.10 3.12 5.41 -1.26 -1.46 119.36 130.70 1qi3 n ILE 157 Ca -0.08 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.65 1qi3 n ILE 157 Cb 0.46 0.00 0.25 0.00 -0.71 0.00 0.00 39.64 39.64 1qi3 n ILE 157 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1qi3 h GLY 158 N 0.00 0.26 0.00 7.39 0.00 -2.04 -3.48 103.07 105.20 1qi3 h GLY 158 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1qi3 h GLY 158 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.36 1qi3 n GLY 159 N -0.29 0.76 0.06 4.60 0.00 -0.53 -4.93 105.19 104.86 1qi3 n GLY 159 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1qi3 n GLY 159 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qi3 n ASP 160 N 0.00 0.41 -0.42 1.61 5.75 -1.26 -3.00 116.55 119.64 1qi3 n ASP 160 Ca 0.00 0.56 0.05 0.00 -0.01 0.00 0.00 54.79 55.39 1qi3 n ASP 160 Cb 0.00 -0.66 0.07 0.00 -1.03 0.00 0.00 41.12 39.49 1qi3 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qi3 n ALA 161 N -1.65 2.38 -2.12 2.12 0.00 -1.26 -4.91 120.51 115.07 1qi3 n ALA 161 Ca 0.05 -0.74 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 1qi3 n ALA 161 Cb 0.32 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 1qi3 n ALA 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qi3 s ASP 162 N -0.84 7.01 0.16 0.00 1.11 -1.16 -2.75 116.67 120.20 1qi3 s ASP 162 Ca 0.13 2.25 -0.04 0.00 0.18 0.00 0.00 52.55 55.07 1qi3 s ASP 162 Cb 0.08 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 1qi3 s ASP 162 CO 0.12 -0.46 0.39 -0.76 1.18 0.00 0.00 175.17 175.64 1qi3 s LEU 163 N 0.16 4.25 -1.19 1.23 1.43 -0.75 -0.52 118.68 123.28 1qi3 s LEU 163 Ca 0.56 0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 54.08 1qi3 s LEU 163 Cb -0.33 -3.32 0.13 0.00 0.03 0.00 0.00 46.19 42.70 1qi3 s LEU 163 CO 0.35 0.03 1.48 0.21 0.23 0.00 0.00 176.35 178.64 1qi3 s ASN 164 N -2.55 6.92 0.45 2.29 2.47 0.14 -4.55 114.94 120.10 1qi3 s ASN 164 Ca 0.41 -2.63 0.30 0.00 0.42 0.00 0.00 52.86 51.36 1qi3 s ASN 164 Cb -0.12 -2.46 1.63 0.00 -1.45 0.00 0.00 41.25 38.85 1qi3 s ASN 164 CO 0.25 -0.95 1.92 0.71 -3.72 0.00 0.00 177.10 175.32 1qi3 h THR 165 N 5.19 0.00 0.00 -5.21 1.35 -1.86 -0.56 112.91 111.83 1qi3 h THR 165 Ca 0.32 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 1qi3 h THR 165 Cb 0.90 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1qi3 h THR 165 CO 1.30 0.00 -0.36 0.61 -0.25 0.00 0.00 175.52 176.82 1qi3 n GLY 166 N -1.18 -1.42 3.70 5.82 0.00 -1.26 -3.19 105.19 107.65 1qi3 n GLY 166 Ca -0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1qi3 n GLY 166 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qi3 s HIS 167 N -3.07 2.63 0.36 1.61 2.46 -0.22 -4.82 115.29 114.25 1qi3 s HIS 167 Ca 0.10 0.40 0.19 0.00 0.47 0.00 0.00 55.06 56.22 1qi3 s HIS 167 Cb 0.16 -3.97 1.29 0.00 -0.13 0.00 0.00 32.58 29.92 1qi3 s HIS 167 CO 0.65 -3.81 1.60 -1.35 -2.47 0.00 0.00 174.74 169.36 1qi3 h PRO 168 N 7.78 0.08 0.00 2.88 0.11 -1.88 0.46 132.00 141.42 1qi3 h PRO 168 Ca -0.43 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.47 1qi3 h PRO 168 Cb 1.20 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1qi3 h PRO 168 CO 0.93 0.05 -0.98 0.37 -0.21 0.00 0.00 178.00 178.16 1qi3 h GLN 169 N 0.08 0.00 0.24 1.05 4.15 -1.94 -2.26 115.11 116.42 1qi3 h GLN 169 Ca 0.82 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.91 1qi3 h GLN 169 Cb 2.11 0.00 0.04 0.00 0.21 0.00 0.00 27.48 29.84 1qi3 h GLN 169 CO -0.73 0.98 -1.42 0.28 -1.93 0.00 0.00 178.83 176.00 1qi3 h VAL 170 N 0.00 1.29 -0.18 2.39 2.07 -0.49 -2.50 116.25 118.83 1qi3 h VAL 170 Ca -0.01 -2.66 0.04 0.00 0.82 0.00 0.00 66.70 64.89 1qi3 h VAL 170 Cb 1.73 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 34.48 1qi3 h VAL 170 CO 0.13 0.80 -0.04 0.22 0.02 0.00 0.00 177.57 178.69 1qi3 h TYR 171 N 0.14 -0.10 -0.93 1.57 3.20 -0.80 -2.11 116.97 117.94 1qi3 h TYR 171 Ca -0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1qi3 h TYR 171 Cb 2.12 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 40.41 1qi3 h TYR 171 CO 0.13 -0.08 0.60 0.78 -1.64 0.00 0.00 178.16 177.95 1qi3 h GLY 172 N 0.00 1.32 0.99 1.82 0.00 -1.49 0.16 103.07 105.88 1qi3 h GLY 172 Ca 0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1qi3 h GLY 172 CO -0.19 0.50 0.17 1.98 0.00 0.00 0.00 176.54 179.00 1qi3 h MET 173 N 1.27 0.87 -0.15 4.80 1.85 -1.04 -1.47 114.93 121.06 1qi3 h MET 173 Ca 0.34 -0.19 -0.17 0.00 -0.61 0.00 0.00 59.70 59.07 1qi3 h MET 173 Cb -0.12 -0.12 0.01 0.00 0.43 0.00 0.00 31.60 31.79 1qi3 h MET 173 CO -0.07 0.80 -0.56 0.74 -0.40 0.00 0.00 176.91 177.42 1qi3 h PHE 174 N 0.78 0.86 -0.50 1.39 0.04 -0.97 -2.69 116.94 115.84 1qi3 h PHE 174 Ca 0.18 -0.36 0.10 0.00 2.80 0.00 0.00 57.97 60.69 1qi3 h PHE 174 Cb 0.29 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.22 1qi3 h PHE 174 CO 0.02 1.15 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.74 1qi3 h ARG 175 N 0.32 0.07 -0.37 1.51 1.12 -0.85 -0.10 114.38 116.08 1qi3 h ARG 175 Ca -0.03 -0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.74 1qi3 h ARG 175 Cb 1.19 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 31.11 1qi3 h ARG 175 CO 0.12 0.05 -0.17 -0.44 -3.11 0.00 0.00 179.97 176.41 1qi3 h ASP 176 N 0.07 0.69 -0.09 -3.80 3.32 -1.24 -2.54 116.42 112.83 1qi3 h ASP 176 Ca 0.25 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 1qi3 h ASP 176 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1qi3 h ASP 176 CO -0.46 0.87 -0.40 -0.08 -1.72 0.00 0.00 179.24 177.45 1qi3 h GLU 177 N 0.62 0.62 -0.55 3.56 4.57 -0.94 -2.26 114.58 120.20 1qi3 h GLU 177 Ca 0.10 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 57.89 1qi3 h GLU 177 Cb 0.64 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1qi3 h GLU 177 CO 0.04 0.91 0.04 0.74 -1.18 0.00 0.00 179.01 179.57 1qi3 h PHE 178 N 0.51 0.96 -0.32 0.92 0.04 -0.80 -1.20 116.94 117.04 1qi3 h PHE 178 Ca 0.04 -0.13 -0.14 0.00 2.80 0.00 0.00 57.97 60.55 1qi3 h PHE 178 Cb 0.91 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1qi3 h PHE 178 CO 0.04 0.84 -0.35 1.15 -0.60 0.00 0.00 178.31 179.39 1qi3 h THR 179 N 0.84 1.28 -0.19 -1.55 2.02 -1.38 -2.62 112.91 111.31 1qi3 h THR 179 Ca 0.17 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 1qi3 h THR 179 Cb 0.44 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1qi3 h THR 179 CO 0.02 0.49 0.05 -1.13 0.37 0.00 0.00 175.52 175.32 1qi3 h ASN 180 N 0.61 0.29 -0.93 4.18 -0.00 -0.99 0.14 115.58 118.88 1qi3 h ASN 180 Ca 0.06 -0.22 0.02 0.00 -0.00 0.00 0.00 56.30 56.15 1qi3 h ASN 180 Cb 0.88 -0.08 -0.05 0.00 -0.00 0.00 0.00 38.32 39.08 1qi3 h ASN 180 CO 0.08 0.43 0.61 0.25 -0.00 0.00 0.00 177.43 178.81 1qi3 h LEU 181 N 0.13 1.05 -0.12 0.34 5.85 -1.19 0.30 115.31 121.67 1qi3 h LEU 181 Ca 0.06 -0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.54 1qi3 h LEU 181 Cb 0.26 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1qi3 h LEU 181 CO -0.00 0.75 -0.76 0.03 -0.34 0.00 0.00 178.44 178.12 1qi3 h ARG 182 N 1.24 0.73 0.00 1.25 3.08 -1.34 -1.73 114.38 117.61 1qi3 h ARG 182 Ca 0.35 -0.62 -0.16 0.00 0.07 0.00 0.00 59.98 59.62 1qi3 h ARG 182 Cb -0.11 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1qi3 h ARG 182 CO -0.08 1.23 -1.13 0.66 -1.07 0.00 0.00 179.97 179.57 1qi3 h SER 183 N 0.43 0.00 0.00 7.04 4.64 -0.11 -3.35 113.55 122.20 1qi3 h SER 183 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1qi3 h SER 183 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1qi3 h SER 183 CO 0.16 0.62 0.00 0.00 -0.87 0.00 0.00 176.83 176.73 1qi3 n GLN 184 N -3.03 5.61 -0.12 4.77 6.02 1.00 -4.75 117.38 126.86 1qi3 n GLN 184 Ca -0.06 -0.09 0.05 0.00 -0.01 0.00 0.00 57.00 56.89 1qi3 n GLN 184 Cb 0.83 -0.59 0.06 0.00 1.02 0.00 0.00 30.24 31.57 1qi3 n GLN 184 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1qi3 n TYR 185 N -0.83 0.00 -3.09 1.08 4.01 -0.78 -4.93 117.16 112.62 1qi3 n TYR 185 Ca 0.00 -0.59 -0.22 0.00 -0.16 0.00 0.00 57.90 56.93 1qi3 n TYR 185 Cb 0.00 -0.09 0.01 0.00 -0.31 0.00 0.00 39.34 38.95 1qi3 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qi3 n GLY 186 N -0.79 -0.50 3.73 2.72 0.00 -0.97 -4.86 105.19 104.52 1qi3 n GLY 186 Ca 0.07 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1qi3 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qi3 s ALA 187 N -3.01 3.77 -1.43 4.61 0.00 -0.72 -4.23 121.76 120.74 1qi3 s ALA 187 Ca 0.31 1.47 0.12 0.00 0.00 0.00 0.00 51.96 53.85 1qi3 s ALA 187 Cb -0.15 -3.63 0.11 0.00 0.00 0.00 0.00 23.12 19.45 1qi3 s ALA 187 CO 0.38 -0.86 0.90 0.41 0.00 0.00 0.00 175.76 176.58 1qi3 n GLY 188 N 2.94 -0.06 0.00 0.00 0.00 0.12 -4.65 105.19 103.53 1qi3 n GLY 188 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1qi3 n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi3 n GLY 189 N 0.65 -2.54 3.02 -0.02 0.00 -1.18 -2.45 105.19 102.67 1qi3 n GLY 189 Ca 0.07 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 1qi3 n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qi3 s PHE 190 N -2.19 0.47 -0.31 1.61 0.08 -0.81 -1.22 117.98 115.61 1qi3 s PHE 190 Ca 0.00 -0.51 -0.07 0.00 0.12 0.00 0.00 56.93 56.46 1qi3 s PHE 190 Cb 0.00 -0.30 0.01 0.00 -0.57 0.00 0.00 43.02 42.16 1qi3 s PHE 190 CO 0.00 -0.14 0.10 0.50 -0.10 0.00 0.00 175.22 175.58 1qi3 s ARG 191 N -1.52 3.02 -0.35 0.44 3.00 0.13 -1.91 118.95 121.76 1qi3 s ARG 191 Ca -0.13 -0.91 -0.22 0.00 -1.00 0.00 0.00 55.73 53.47 1qi3 s ARG 191 Cb -0.10 -3.42 0.01 0.00 0.00 0.00 0.00 34.95 31.44 1qi3 s ARG 191 CO -0.00 -0.49 0.73 -0.06 0.00 0.00 0.00 175.30 175.48 1qi3 s PHE 192 N 1.50 3.14 0.41 5.12 0.08 0.11 -0.29 117.98 128.04 1qi3 s PHE 192 Ca 0.02 0.52 -0.18 0.00 0.12 0.00 0.00 56.93 57.41 1qi3 s PHE 192 Cb -0.18 -3.29 -0.10 0.00 -0.57 0.00 0.00 43.02 38.89 1qi3 s PHE 192 CO 0.03 -0.68 0.88 1.21 -0.10 0.00 0.00 175.22 176.56 1qi3 s ASN 193 N 1.80 6.81 -1.23 1.36 3.84 -0.52 -1.17 114.94 125.83 1qi3 s ASN 193 Ca 0.29 1.50 -0.28 0.00 0.21 0.00 0.00 52.86 54.59 1qi3 s ASN 193 Cb -0.14 -2.47 0.04 0.00 -0.55 0.00 0.00 41.25 38.13 1qi3 s ASN 193 CO 0.16 -0.35 0.52 0.33 -2.79 0.00 0.00 177.10 174.97 1qi3 n PHE 194 N -0.75 -1.28 0.32 0.43 7.35 -1.25 -4.70 117.46 117.58 1qi3 n PHE 194 Ca 0.06 0.15 0.21 0.00 -0.76 0.00 0.00 57.45 57.10 1qi3 n PHE 194 Cb 0.54 -2.63 1.11 0.00 0.35 0.00 0.00 39.48 38.84 1qi3 n PHE 194 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1qi3 h VAL 195 N -2.28 0.00 0.00 -2.13 2.07 -1.72 -1.19 116.25 111.00 1qi3 h VAL 195 Ca -0.68 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1qi3 h VAL 195 Cb 1.34 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1qi3 h VAL 195 CO 0.53 0.00 -0.11 0.08 0.02 0.00 0.00 177.57 178.10 1qi3 h ARG 196 N 0.00 0.00 0.00 1.57 0.11 -1.87 -3.26 114.38 110.93 1qi3 h ARG 196 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qi3 h ARG 196 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1qi3 h ARG 196 CO 0.00 0.11 0.00 0.41 0.10 0.00 0.00 179.97 180.59 1qi3 n GLY 197 N 0.15 -1.00 3.69 0.08 0.00 -0.45 -1.66 105.19 106.00 1qi3 n GLY 197 Ca 0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1qi3 n GLY 197 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qi3 s TYR 198 N -2.22 -0.31 0.28 1.61 -0.85 -1.23 -3.79 117.35 110.84 1qi3 s TYR 198 Ca 0.36 -0.04 -0.29 0.00 -0.52 0.00 0.00 57.07 56.57 1qi3 s TYR 198 Cb 0.19 0.65 -0.10 0.00 0.38 0.00 0.00 41.96 43.07 1qi3 s TYR 198 CO 0.36 -1.04 1.37 0.00 -1.52 0.00 0.00 175.55 174.72 1qi3 s ALA 199 N -3.77 3.56 0.22 9.51 0.00 -1.26 -4.76 121.76 125.26 1qi3 s ALA 199 Ca 0.08 1.28 -0.08 0.00 0.00 0.00 0.00 51.96 53.23 1qi3 s ALA 199 Cb -0.04 -3.52 0.27 0.00 0.00 0.00 0.00 23.12 19.84 1qi3 s ALA 199 CO -0.01 -0.69 1.80 -1.35 0.00 0.00 0.00 175.76 175.52 1qi3 h PRO 200 N 4.26 0.65 -0.38 0.00 0.11 -1.91 -1.42 132.00 133.31 1qi3 h PRO 200 Ca -0.47 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.70 1qi3 h PRO 200 Cb 1.22 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1qi3 h PRO 200 CO 0.72 0.43 0.27 0.93 -0.21 0.00 0.00 178.00 180.14 1qi3 h GLU 201 N 0.67 0.03 -0.17 1.05 3.07 -1.93 -0.96 114.58 116.34 1qi3 h GLU 201 Ca 0.32 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.07 1qi3 h GLU 201 Cb 0.24 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1qi3 h GLU 201 CO -0.21 0.02 -0.34 -0.09 -1.40 0.00 0.00 179.01 176.99 1qi3 h ARG 202 N 0.03 0.34 -0.42 2.33 2.43 -1.60 -2.03 114.38 115.46 1qi3 h ARG 202 Ca 0.18 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1qi3 h ARG 202 Cb 0.69 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1qi3 h ARG 202 CO -0.01 0.64 0.02 0.28 -1.51 0.00 0.00 179.97 179.40 1qi3 h VAL 203 N 0.30 1.26 -0.82 0.20 2.07 -1.21 -0.00 116.25 118.04 1qi3 h VAL 203 Ca 0.04 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1qi3 h VAL 203 Cb 0.74 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1qi3 h VAL 203 CO 0.06 0.34 0.48 -1.13 0.02 0.00 0.00 177.57 177.33 1qi3 h ASN 204 N 0.57 1.00 -0.04 0.57 -0.00 -1.29 -0.88 115.58 115.51 1qi3 h ASN 204 Ca 0.12 -0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.34 1qi3 h ASN 204 Cb 0.45 -0.25 -0.00 0.00 -0.00 0.00 0.00 38.32 38.51 1qi3 h ASN 204 CO 0.02 0.79 0.02 0.28 -0.00 0.00 0.00 177.43 178.53 1qi3 h SER 205 N 1.13 0.06 -0.90 1.15 0.02 -0.94 0.73 113.55 114.80 1qi3 h SER 205 Ca 0.29 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1qi3 h SER 205 Cb -0.02 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 1qi3 h SER 205 CO -0.05 0.16 0.59 -0.50 -1.14 0.00 0.00 176.83 175.89 1qi3 h TRP 206 N -0.05 1.11 -0.11 3.45 6.55 -0.76 -1.32 115.95 124.82 1qi3 h TRP 206 Ca 0.02 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.86 1qi3 h TRP 206 Cb 0.12 -0.37 -0.00 0.00 -0.86 0.00 0.00 29.16 28.05 1qi3 h TRP 206 CO -0.03 0.66 -0.02 0.52 -1.05 0.00 0.00 178.44 178.51 1qi3 h MET 207 N 1.16 0.20 -0.83 0.49 2.86 -0.96 -1.62 114.93 116.23 1qi3 h MET 207 Ca 0.35 -0.08 0.09 0.00 -2.06 0.00 0.00 59.70 58.01 1qi3 h MET 207 Cb -0.04 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.53 1qi3 h MET 207 CO -0.10 0.50 0.48 1.15 1.06 0.00 0.00 176.91 180.00 1qi3 h THR 208 N -0.11 0.92 -0.11 2.22 2.02 -0.59 0.11 112.91 117.36 1qi3 h THR 208 Ca 0.03 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 1qi3 h THR 208 Cb 0.42 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1qi3 h THR 208 CO 0.01 0.15 -0.41 0.44 0.37 0.00 0.00 175.52 176.08 1qi3 h ASP 209 N 0.81 0.56 0.00 4.18 3.32 -1.15 -3.39 116.42 120.75 1qi3 h ASP 209 Ca 0.40 -0.62 -0.23 0.00 0.02 0.00 0.00 57.03 56.60 1qi3 h ASP 209 Cb 0.35 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1qi3 h ASP 209 CO -0.24 1.08 -1.98 -1.20 -1.72 0.00 0.00 179.24 175.18 1qi3 n SER 210 N -4.31 1.28 -2.72 6.45 7.64 -0.62 -4.89 113.62 116.45 1qi3 n SER 210 Ca -0.08 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.72 1qi3 n SER 210 Cb 0.55 1.03 0.10 0.00 -1.01 0.00 0.00 64.21 64.87 1qi3 n SER 210 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qi3 n ALA 211 N -2.47 -0.42 -0.28 -0.43 0.00 0.16 -4.72 120.51 112.35 1qi3 n ALA 211 Ca -0.21 -1.38 0.15 0.00 0.00 0.00 0.00 53.44 52.00 1qi3 n ALA 211 Cb 0.89 -1.18 0.41 0.00 0.00 0.00 0.00 19.45 19.57 1qi3 n ALA 211 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1qi3 h ASP 212 N 2.73 0.60 -0.57 0.00 3.58 -1.13 0.12 116.42 121.74 1qi3 h ASP 212 Ca -0.15 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1qi3 h ASP 212 Cb 1.15 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1qi3 h ASP 212 CO 0.08 0.26 0.00 0.59 -2.88 0.00 0.00 179.24 177.29 1qi3 n ASN 213 N -4.59 3.33 -4.35 2.28 3.02 -1.26 -4.87 115.26 108.81 1qi3 n ASN 213 Ca 0.20 -1.98 -0.28 0.00 -0.03 0.00 0.00 54.58 52.48 1qi3 n ASN 213 Cb 0.58 -0.38 0.16 0.00 -0.61 0.00 0.00 39.78 39.53 1qi3 n ASN 213 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qi3 s SER 214 N -1.11 3.59 0.01 6.41 0.01 0.03 -4.91 113.70 117.72 1qi3 s SER 214 Ca 0.41 0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.69 1qi3 s SER 214 Cb 0.22 -0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 1qi3 s SER 214 CO 0.29 -2.41 0.34 0.12 0.41 0.00 0.00 173.24 171.99 1qi3 s PHE 215 N -3.64 3.64 0.03 2.43 5.36 -1.03 -4.68 117.98 120.09 1qi3 s PHE 215 Ca 0.71 0.78 -0.05 0.00 -0.96 0.00 0.00 56.93 57.41 1qi3 s PHE 215 Cb -0.05 -2.14 -0.01 0.00 -0.34 0.00 0.00 43.02 40.48 1qi3 s PHE 215 CO 0.50 0.61 0.08 0.00 -1.46 0.00 0.00 175.22 174.95 1qi3 s VAL 217 N -2.33 -0.01 -0.08 0.00 0.11 -0.80 -3.39 120.40 113.89 1qi3 s VAL 217 Ca -0.07 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.01 1qi3 s VAL 217 Cb -0.03 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1qi3 s VAL 217 CO -0.03 0.02 -0.03 -0.83 -3.33 0.00 0.00 175.10 170.89 1qi3 s GLY 218 N 0.43 1.77 -0.65 6.54 0.00 -0.57 -0.71 107.32 114.12 1qi3 s GLY 218 Ca -0.03 -0.85 -0.17 0.00 0.00 0.00 0.00 44.72 43.68 1qi3 s GLY 218 CO -0.02 -0.57 0.67 1.85 0.00 0.00 0.00 173.10 175.03 1qi3 s GLU 219 N -0.75 3.19 -0.42 2.90 2.12 -0.31 -1.93 118.70 123.49 1qi3 s GLU 219 Ca 0.11 -1.75 -0.06 0.00 0.36 0.00 0.00 54.97 53.63 1qi3 s GLU 219 Cb -0.11 -4.36 0.10 0.00 0.26 0.00 0.00 34.13 30.02 1qi3 s GLU 219 CO 0.02 -1.42 0.24 -1.17 -0.54 0.00 0.00 175.26 172.39 1qi3 s LEU 220 N 1.72 5.29 -0.64 2.70 2.96 -1.26 -2.63 118.68 126.81 1qi3 s LEU 220 Ca 0.11 -1.87 -0.03 0.00 -0.22 0.00 0.00 54.13 52.12 1qi3 s LEU 220 Cb -0.22 -1.90 0.17 0.00 0.50 0.00 0.00 46.19 44.74 1qi3 s LEU 220 CO 0.01 -0.57 0.46 0.86 -1.32 0.00 0.00 176.35 175.78 1qi3 s TRP 221 N 1.26 3.41 -0.28 5.38 -0.11 -1.26 -4.80 118.94 122.53 1qi3 s TRP 221 Ca 0.06 -2.72 -0.03 0.00 1.22 0.00 0.00 56.10 54.62 1qi3 s TRP 221 Cb -0.24 -3.21 0.16 0.00 -1.50 0.00 0.00 33.47 28.69 1qi3 s TRP 221 CO -0.02 -0.84 0.56 0.21 -4.62 0.00 0.00 176.95 172.24 1qi3 s LYS 222 N -0.13 0.52 0.65 5.86 2.20 -1.26 -5.02 119.74 122.55 1qi3 s LYS 222 Ca 0.17 1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 56.68 1qi3 s LYS 222 Cb -0.20 0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1qi3 s LYS 222 CO -0.04 -0.53 1.05 0.20 -0.36 0.00 0.00 175.35 175.67 1qi3 s GLY 223 N 2.80 1.64 0.31 5.54 0.00 -1.26 -4.95 107.32 111.40 1qi3 s GLY 223 Ca 0.14 -0.21 0.07 0.00 0.00 0.00 0.00 44.72 44.72 1qi3 s GLY 223 CO -0.19 0.10 1.68 -2.55 0.00 0.00 0.00 173.10 172.14 1qi3 h PRO 224 N -0.44 0.35 0.00 2.90 0.11 -1.85 -0.09 132.00 132.99 1qi3 h PRO 224 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qi3 h PRO 224 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qi3 h PRO 224 CO 0.63 0.23 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 1qi3 n SER 225 N -5.06 0.00 -0.25 -2.05 3.41 -1.26 -2.23 113.62 106.18 1qi3 n SER 225 Ca 0.25 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 1qi3 n SER 225 Cb 0.76 -0.40 0.20 0.00 -0.26 0.00 0.00 64.21 64.52 1qi3 n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qi3 n GLU 226 N -1.40 0.73 -3.39 4.33 1.02 -0.05 -4.88 120.64 117.00 1qi3 n GLU 226 Ca 0.04 -0.50 -0.27 0.00 -0.02 0.00 0.00 57.16 56.41 1qi3 n GLU 226 Cb 0.11 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.02 1qi3 n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1qi3 s TYR 227 N -2.62 3.49 0.73 -0.32 1.51 -0.94 -5.04 117.35 114.15 1qi3 s TYR 227 Ca 0.19 0.51 -0.16 0.00 -1.01 0.00 0.00 57.07 56.60 1qi3 s TYR 227 Cb 0.18 -2.00 0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1qi3 s TYR 227 CO 0.60 0.18 1.25 -1.25 -1.11 0.00 0.00 175.55 175.22 1qi3 s PRO 228 N -3.77 2.09 0.52 -1.71 0.05 -1.26 -4.76 135.00 126.17 1qi3 s PRO 228 Ca 0.42 1.91 0.24 0.00 0.05 0.00 0.00 61.00 63.61 1qi3 s PRO 228 Cb -0.10 -1.81 1.41 0.00 0.05 0.00 0.00 34.50 34.05 1qi3 s PRO 228 CO 0.32 -1.91 2.10 -0.91 0.05 0.00 0.00 177.00 176.66 1qi3 h ASN 229 N -0.18 0.00 0.44 6.66 4.21 -1.96 -1.78 115.58 122.96 1qi3 h ASN 229 Ca -0.49 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.02 1qi3 h ASN 229 Cb 1.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.52 1qi3 h ASN 229 CO 0.50 0.10 -0.26 -2.67 -1.29 0.00 0.00 177.43 173.81 1qi3 n TRP 230 N -3.94 0.00 -2.78 1.19 4.27 -1.26 -4.87 117.44 110.05 1qi3 n TRP 230 Ca -0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.18 1qi3 n TRP 230 Cb 0.19 -0.22 -0.05 0.00 -1.36 0.00 0.00 31.31 29.87 1qi3 n TRP 230 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1qi3 s ASP 231 N -2.70 7.52 0.59 -0.67 -1.08 -0.67 -4.94 116.67 114.71 1qi3 s ASP 231 Ca 0.20 1.80 0.29 0.00 -0.52 0.00 0.00 52.55 54.33 1qi3 s ASP 231 Cb 0.19 -2.58 1.75 0.00 -1.46 0.00 0.00 42.92 40.82 1qi3 s ASP 231 CO 0.56 0.04 2.18 4.11 0.52 0.00 0.00 175.17 182.58 1qi3 h TRP 232 N 4.99 0.00 0.00 -5.34 5.08 -1.89 -2.16 115.95 116.63 1qi3 h TRP 232 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.53 1qi3 h TRP 232 Cb 1.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.37 1qi3 h TRP 232 CO 0.63 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.79 1qi3 h ARG 233 N 0.00 0.00 0.00 0.12 3.08 -1.92 -2.97 114.38 112.69 1qi3 h ARG 233 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1qi3 h ARG 233 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1qi3 h ARG 233 CO -0.00 0.00 -0.10 -0.97 -1.07 0.00 0.00 179.97 177.83 1qi3 h ASN 234 N 0.00 0.00 0.00 7.04 -0.73 -1.49 -2.76 115.58 117.64 1qi3 h ASN 234 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1qi3 h ASN 234 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1qi3 h ASN 234 CO 0.00 0.10 -0.01 0.35 -0.37 0.00 0.00 177.43 177.51 1qi3 n THR 235 N -3.40 1.37 -2.86 -3.57 -2.24 -1.14 -4.40 114.28 98.04 1qi3 n THR 235 Ca -0.01 -1.54 -0.21 0.00 -2.27 0.00 0.00 64.05 60.02 1qi3 n THR 235 Cb 0.28 0.18 0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1qi3 n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qi3 s ALA 236 N -1.81 3.93 0.66 6.98 0.00 -1.04 -5.10 121.76 125.38 1qi3 s ALA 236 Ca 0.14 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 1qi3 s ALA 236 Cb 0.13 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1qi3 s ALA 236 CO 0.01 -0.52 1.06 -1.54 0.00 0.00 0.00 175.76 174.77 1qi3 s SER 237 N -4.33 5.83 0.30 0.00 1.04 -1.26 -4.74 113.70 110.54 1qi3 s SER 237 Ca 0.53 1.29 -0.02 0.00 0.48 0.00 0.00 55.95 58.24 1qi3 s SER 237 Cb -0.10 -2.22 0.46 0.00 0.10 0.00 0.00 66.02 64.26 1qi3 s SER 237 CO 0.37 -1.11 1.97 -0.50 0.98 0.00 0.00 173.24 174.94 1qi3 h TRP 238 N -0.49 1.03 -0.48 5.02 4.06 -1.96 -2.79 115.95 120.33 1qi3 h TRP 238 Ca -0.44 0.02 0.05 0.00 2.06 0.00 0.00 58.89 60.58 1qi3 h TRP 238 Cb 1.22 -0.35 -0.05 0.00 -1.00 0.00 0.00 29.16 28.98 1qi3 h TRP 238 CO 0.58 0.64 0.21 1.96 -3.56 0.00 0.00 178.44 178.27 1qi3 h GLN 239 N 1.10 0.40 -0.55 0.49 4.20 -1.92 -2.61 115.11 116.22 1qi3 h GLN 239 Ca 0.31 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.88 1qi3 h GLN 239 Cb -0.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1qi3 h GLN 239 CO -0.07 0.27 -0.10 1.96 -0.67 0.00 0.00 178.83 180.21 1qi3 h GLN 240 N 0.41 1.04 0.33 1.46 4.20 -1.89 -1.21 115.11 119.47 1qi3 h GLN 240 Ca 0.22 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1qi3 h GLN 240 Cb 0.18 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1qi3 h GLN 240 CO -0.19 1.08 -0.16 0.82 -0.67 0.00 0.00 178.83 179.71 1qi3 h ILE 241 N 0.93 0.69 -0.30 2.54 2.04 -1.38 -1.27 117.51 120.76 1qi3 h ILE 241 Ca 0.14 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1qi3 h ILE 241 Cb 0.67 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1qi3 h ILE 241 CO 0.05 0.03 -0.23 0.16 0.00 0.00 0.00 178.15 178.16 1qi3 h ILE 242 N -0.52 1.27 -0.77 -0.67 3.07 -1.48 -2.90 117.51 115.51 1qi3 h ILE 242 Ca -0.05 -1.28 -0.02 0.00 1.55 0.00 0.00 64.86 65.06 1qi3 h ILE 242 Cb 0.39 1.29 -0.04 0.00 -0.27 0.00 0.00 36.82 38.20 1qi3 h ILE 242 CO 0.07 0.41 0.39 0.50 -1.05 0.00 0.00 178.15 178.47 1qi3 h LYS 243 N 0.51 1.10 -0.39 0.16 1.63 -1.15 -2.00 116.57 116.42 1qi3 h LYS 243 Ca 0.07 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1qi3 h LYS 243 Cb 0.68 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1qi3 h LYS 243 CO 0.05 0.84 0.19 0.22 -3.45 0.00 0.00 179.45 177.30 1qi3 h ASP 244 N 1.08 0.51 -0.53 4.20 3.58 -1.11 -1.61 116.42 122.54 1qi3 h ASP 244 Ca 0.27 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1qi3 h ASP 244 Cb 0.10 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1qi3 h ASP 244 CO -0.04 0.50 0.33 -0.25 -2.88 0.00 0.00 179.24 176.90 1qi3 h TRP 245 N 0.49 0.68 -0.83 0.28 7.01 -1.31 -2.82 115.95 119.45 1qi3 h TRP 245 Ca 0.13 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 1qi3 h TRP 245 Cb 0.12 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 26.92 1qi3 h TRP 245 CO -0.01 0.45 0.41 1.03 -2.79 0.00 0.00 178.44 177.53 1qi3 h SER 246 N 0.71 1.07 -0.21 2.65 0.87 -1.13 0.22 113.55 117.73 1qi3 h SER 246 Ca 0.19 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1qi3 h SER 246 Cb -0.04 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 1qi3 h SER 246 CO -0.04 0.90 0.01 0.44 -0.53 0.00 0.00 176.83 177.61 1qi3 h ASP 247 N 1.18 0.45 0.24 6.23 3.32 -1.06 -0.56 116.42 126.23 1qi3 h ASP 247 Ca 0.29 -0.08 -0.34 0.00 0.02 0.00 0.00 57.03 56.92 1qi3 h ASP 247 Cb 0.10 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 39.55 1qi3 h ASP 247 CO -0.04 0.51 -1.64 0.03 -1.72 0.00 0.00 179.24 176.38 1qi3 h ARG 248 N 0.47 0.43 0.00 3.56 3.08 -1.26 -3.37 114.38 117.29 1qi3 h ARG 248 Ca 0.10 -0.74 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1qi3 h ARG 248 Cb 0.29 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1qi3 h ARG 248 CO 0.01 1.35 -0.45 0.00 -1.07 0.00 0.00 179.97 179.80 1qi3 h ALA 249 N 0.17 0.73 -4.13 0.04 0.00 -0.93 -3.36 119.26 111.78 1qi3 h ALA 249 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.19 1qi3 h ALA 249 Cb 2.12 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.95 1qi3 h ALA 249 CO 0.21 0.00 -0.59 1.63 0.00 0.00 0.00 179.25 180.50 1qi3 n LYS 250 N -2.41 -4.14 -4.33 0.00 4.76 -0.22 -3.33 118.16 108.50 1qi3 n LYS 250 Ca 0.03 0.94 -0.20 0.00 -2.87 0.00 0.00 58.31 56.21 1qi3 n LYS 250 Cb 0.47 -5.76 -0.13 0.00 -1.84 0.00 0.00 35.03 27.77 1qi3 n LYS 250 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qi3 n PRO 252 N 1.84 0.02 -4.35 0.00 -0.02 -1.22 -4.46 135.00 126.81 1qi3 n PRO 252 Ca -0.18 0.07 -0.19 0.00 -2.02 0.00 0.00 63.50 61.18 1qi3 n PRO 252 Cb 0.55 -2.15 -0.14 0.00 -0.02 0.00 0.00 33.50 31.74 1qi3 n PRO 252 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qi3 s VAL 253 N -2.20 0.91 0.30 -1.45 0.11 -0.34 -1.51 120.40 116.21 1qi3 s VAL 253 Ca 0.67 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 58.65 1qi3 s VAL 253 Cb -0.28 -0.82 -0.11 0.00 -1.53 0.00 0.00 36.38 33.64 1qi3 s VAL 253 CO 0.57 0.05 1.56 -0.36 -3.33 0.00 0.00 175.10 173.60 1qi3 s PHE 254 N -0.65 2.76 -1.26 1.54 0.08 -0.81 -1.43 117.98 118.21 1qi3 s PHE 254 Ca 0.01 0.85 -0.19 0.00 0.12 0.00 0.00 56.93 57.73 1qi3 s PHE 254 Cb -0.06 -4.04 0.06 0.00 -0.57 0.00 0.00 43.02 38.41 1qi3 s PHE 254 CO 0.00 -3.42 1.71 0.34 -0.10 0.00 0.00 175.22 173.76 1qi3 s ASP 255 N 0.40 6.71 0.12 1.36 -1.08 0.05 -4.71 116.67 119.52 1qi3 s ASP 255 Ca 0.62 -2.27 0.27 0.00 -0.52 0.00 0.00 52.55 50.64 1qi3 s ASP 255 Cb -0.47 -2.58 0.92 0.00 -1.46 0.00 0.00 42.92 39.33 1qi3 s ASP 255 CO 0.49 -1.31 1.79 0.49 0.52 0.00 0.00 175.17 177.15 1qi3 n PHE 256 N 8.76 0.55 -0.05 -5.34 3.72 -1.26 -2.56 117.46 121.28 1qi3 n PHE 256 Ca 0.47 0.16 -0.13 0.00 -0.05 0.00 0.00 57.45 57.90 1qi3 n PHE 256 Cb 0.47 -0.74 -0.08 0.00 -0.94 0.00 0.00 39.48 38.19 1qi3 n PHE 256 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qi3 h ALA 257 N 2.71 0.18 -0.37 4.37 0.00 -1.84 -0.66 119.26 123.64 1qi3 h ALA 257 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1qi3 h ALA 257 Cb 0.65 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qi3 h ALA 257 CO 0.00 0.04 0.00 1.25 0.00 0.00 0.00 179.25 180.55 1qi3 h LEU 258 N -0.09 0.64 -0.26 0.00 5.85 -1.81 -2.67 115.31 116.97 1qi3 h LEU 258 Ca 0.02 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1qi3 h LEU 258 Cb 0.65 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1qi3 h LEU 258 CO 0.03 0.79 0.13 0.50 -0.34 0.00 0.00 178.44 179.55 1qi3 h LYS 259 N 0.48 0.27 -0.75 1.25 1.63 -1.50 0.06 116.57 118.00 1qi3 h LYS 259 Ca 0.11 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1qi3 h LYS 259 Cb 0.46 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.99 1qi3 h LYS 259 CO 0.02 0.18 0.41 1.49 -3.45 0.00 0.00 179.45 178.10 1qi3 h GLU 260 N 0.28 1.04 -0.30 1.90 4.22 -1.05 -1.42 114.58 119.24 1qi3 h GLU 260 Ca 0.11 -0.11 -0.13 0.00 0.08 0.00 0.00 59.36 59.31 1qi3 h GLU 260 Cb 0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1qi3 h GLU 260 CO -0.07 0.76 -0.34 0.00 -2.18 0.00 0.00 179.01 177.18 1qi3 h ARG 261 N 1.05 0.65 -0.33 1.92 2.47 -1.10 0.53 114.38 119.57 1qi3 h ARG 261 Ca 0.27 -0.30 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 1qi3 h ARG 261 Cb 0.02 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 1qi3 h ARG 261 CO -0.04 0.89 -0.15 0.52 0.56 0.00 0.00 179.97 181.75 1qi3 h MET 262 N 0.55 0.58 0.21 0.04 2.86 -0.48 0.19 114.93 118.87 1qi3 h MET 262 Ca 0.06 -0.19 -0.32 0.00 -2.06 0.00 0.00 59.70 57.19 1qi3 h MET 262 Cb 0.84 -0.05 0.03 0.00 0.06 0.00 0.00 31.60 32.47 1qi3 h MET 262 CO 0.07 0.71 -1.49 1.96 1.06 0.00 0.00 176.91 179.22 1qi3 h GLN 263 N 0.53 0.45 0.00 1.72 1.08 -1.11 -3.42 115.11 114.36 1qi3 h GLN 263 Ca 0.09 -0.77 -0.06 0.00 -1.45 0.00 0.00 58.65 56.47 1qi3 h GLN 263 Cb 0.56 0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 1qi3 h GLN 263 CO 0.04 1.37 -1.58 0.09 -0.95 0.00 0.00 178.83 177.80 1qi3 n ASN 264 N -3.74 2.41 -2.36 1.46 5.03 0.16 -5.06 115.26 113.16 1qi3 n ASN 264 Ca -0.20 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.23 1qi3 n ASN 264 Cb 1.05 1.30 0.01 0.00 -1.02 0.00 0.00 39.78 41.12 1qi3 n ASN 264 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qi3 n GLY 265 N 2.00 1.93 3.98 7.41 0.00 0.66 -5.02 105.19 116.15 1qi3 n GLY 265 Ca -0.06 -2.14 -0.20 0.00 0.00 0.00 0.00 46.02 43.62 1qi3 n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qi3 s SER 266 N -1.44 5.52 0.44 1.61 1.04 -1.26 -4.81 113.70 114.80 1qi3 s SER 266 Ca 0.07 -0.12 0.14 0.00 0.48 0.00 0.00 55.95 56.53 1qi3 s SER 266 Cb -0.01 -0.92 1.04 0.00 0.10 0.00 0.00 66.02 66.24 1qi3 s SER 266 CO 0.05 -0.91 1.99 -0.29 0.98 0.00 0.00 173.24 175.05 1qi3 h ILE 267 N 0.36 0.90 0.00 -1.02 2.10 -1.94 0.10 117.51 118.01 1qi3 h ILE 267 Ca -0.42 -0.13 -0.04 0.00 1.08 0.00 0.00 64.86 65.35 1qi3 h ILE 267 Cb 1.28 0.47 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 1qi3 h ILE 267 CO 0.51 0.07 -0.17 0.00 -1.08 0.00 0.00 178.15 177.48 1qi3 h ALA 268 N 1.70 1.34 0.00 0.18 0.00 -1.94 -1.95 119.26 118.59 1qi3 h ALA 268 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qi3 h ALA 268 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qi3 h ALA 268 CO -0.07 0.21 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 1qi3 n ASP 269 N -3.79 0.00 0.34 0.00 8.00 0.35 -3.54 116.55 117.91 1qi3 n ASP 269 Ca -0.02 0.04 0.22 0.00 0.71 0.00 0.00 54.79 55.75 1qi3 n ASP 269 Cb 0.28 -0.34 1.19 0.00 -0.02 0.00 0.00 41.12 42.22 1qi3 n ASP 269 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1qi3 h TRP 270 N 0.00 0.00 0.00 1.24 4.06 -1.35 -0.78 115.95 119.12 1qi3 h TRP 270 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1qi3 h TRP 270 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 1qi3 h TRP 270 CO 0.00 0.00 0.00 0.36 -3.56 0.00 0.00 178.44 175.24 1qi3 n LYS 271 N -3.06 0.21 -0.46 0.49 2.85 -1.23 -2.58 118.16 114.39 1qi3 n LYS 271 Ca -0.03 0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.46 1qi3 n LYS 271 Cb 0.10 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.32 1qi3 n LYS 271 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1qi3 n HIS 272 N -1.17 1.15 -2.06 5.58 8.25 -0.30 -4.57 115.22 122.10 1qi3 n HIS 272 Ca 0.06 -0.52 -0.28 0.00 -0.26 0.00 0.00 57.72 56.71 1qi3 n HIS 272 Cb 0.06 -0.08 0.13 0.00 1.12 0.00 0.00 29.99 31.22 1qi3 n HIS 272 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1qi3 s GLY 273 N -0.96 1.72 0.30 -1.41 0.00 -1.06 -4.64 107.32 101.26 1qi3 s GLY 273 Ca 0.50 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.12 1qi3 s GLY 273 CO 0.30 -0.48 1.95 -2.00 0.00 0.00 0.00 173.10 172.88 1qi3 h LEU 274 N -1.17 0.89 -0.42 0.66 5.85 -1.92 -2.88 115.31 116.33 1qi3 h LEU 274 Ca -0.44 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1qi3 h LEU 274 Cb 1.28 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1qi3 h LEU 274 CO 0.49 0.68 0.00 -0.46 -0.34 0.00 0.00 178.44 178.81 1qi3 n ASN 275 N -4.39 0.27 -0.90 1.25 6.94 -1.26 -1.91 115.26 115.25 1qi3 n ASN 275 Ca 0.08 0.59 0.11 0.00 -0.02 0.00 0.00 54.58 55.33 1qi3 n ASN 275 Cb 0.06 -0.64 0.11 0.00 -2.36 0.00 0.00 39.78 36.95 1qi3 n ASN 275 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qi3 n GLY 276 N -0.55 0.94 3.73 4.83 0.00 -1.08 -4.39 105.19 108.66 1qi3 n GLY 276 Ca 0.02 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1qi3 n GLY 276 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qi3 s ASN 277 N -1.72 6.39 0.57 1.61 2.47 -0.80 -4.91 114.94 118.54 1qi3 s ASN 277 Ca 0.27 2.89 0.38 0.00 0.42 0.00 0.00 52.86 56.82 1qi3 s ASN 277 Cb 0.19 -2.62 1.92 0.00 -1.45 0.00 0.00 41.25 39.29 1qi3 s ASN 277 CO 0.27 -0.93 2.14 1.55 -3.72 0.00 0.00 177.10 176.42 1qi3 h PRO 278 N 5.87 0.00 -5.39 0.43 0.13 -1.91 -3.40 132.00 127.74 1qi3 h PRO 278 Ca -0.45 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.07 1qi3 h PRO 278 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1qi3 h PRO 278 CO 0.88 0.00 -0.14 0.34 -0.23 0.00 0.00 178.00 178.85 1qi3 s ASP 279 N -5.08 6.43 0.50 1.44 -1.08 -1.26 -4.95 116.67 112.66 1qi3 s ASP 279 Ca -0.03 0.51 0.20 0.00 -0.52 0.00 0.00 52.55 52.71 1qi3 s ASP 279 Cb 0.11 -2.25 1.28 0.00 -1.46 0.00 0.00 42.92 40.60 1qi3 s ASP 279 CO 0.41 -0.16 2.09 1.55 0.52 0.00 0.00 175.17 179.59 1qi3 h PRO 280 N 7.65 0.00 0.00 4.34 0.13 -1.91 -0.66 132.00 141.54 1qi3 h PRO 280 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1qi3 h PRO 280 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1qi3 h PRO 280 CO 0.71 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.58 1qi3 h ARG 281 N 0.00 0.00 0.00 0.86 2.47 -1.93 -1.91 114.38 113.87 1qi3 h ARG 281 Ca -0.00 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.49 1qi3 h ARG 281 Cb 0.19 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 1qi3 h ARG 281 CO 0.01 0.00 -1.37 0.91 0.56 0.00 0.00 179.97 180.08 1qi3 n TRP 282 N -2.88 0.79 0.17 3.04 7.02 -0.31 -4.50 117.44 120.76 1qi3 n TRP 282 Ca 0.00 0.34 0.02 0.00 -1.02 0.00 0.00 57.50 56.84 1qi3 n TRP 282 Cb 0.23 -1.01 0.27 0.00 -2.42 0.00 0.00 31.31 28.38 1qi3 n TRP 282 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 1qi3 h ARG 283 N -1.00 0.00 0.00 -0.99 0.11 -1.38 -3.24 114.38 107.89 1qi3 h ARG 283 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1qi3 h ARG 283 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1qi3 h ARG 283 CO -0.21 0.48 0.00 1.05 0.10 0.00 0.00 179.97 181.39 1qi3 h GLU 284 N 0.00 0.00 -0.01 0.08 4.11 -1.43 -2.20 114.58 115.13 1qi3 h GLU 284 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1qi3 h GLU 284 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1qi3 h GLU 284 CO 0.06 0.00 -0.45 1.33 0.07 0.00 0.00 179.01 180.02 1qi3 n VAL 285 N -2.38 0.00 -2.59 -1.06 0.24 -1.22 -4.75 118.33 106.57 1qi3 n VAL 285 Ca 0.01 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.34 61.70 1qi3 n VAL 285 Cb 0.17 0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 33.48 1qi3 n VAL 285 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qi3 s ALA 286 N -2.52 3.38 -0.37 2.33 0.00 -0.83 -1.20 121.76 122.55 1qi3 s ALA 286 Ca 0.19 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.96 1qi3 s ALA 286 Cb 0.18 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 20.13 1qi3 s ALA 286 CO 0.58 -0.01 0.10 0.08 0.00 0.00 0.00 175.76 176.51 1qi3 s VAL 287 N -1.11 2.02 0.36 0.00 1.01 -0.52 -1.68 120.40 120.48 1qi3 s VAL 287 Ca 0.43 -2.33 -0.20 0.00 0.00 0.00 0.00 61.98 59.88 1qi3 s VAL 287 Cb -0.29 -2.48 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1qi3 s VAL 287 CO 0.37 -0.66 0.87 0.42 0.00 0.00 0.00 175.10 176.10 1qi3 s THR 288 N 0.82 4.45 0.17 3.92 -4.23 -0.37 -0.77 115.64 119.63 1qi3 s THR 288 Ca 0.12 1.39 -0.17 0.00 -1.18 0.00 0.00 61.69 61.86 1qi3 s THR 288 Cb -0.20 -3.70 0.03 0.00 1.34 0.00 0.00 72.50 69.97 1qi3 s THR 288 CO -0.10 -0.15 0.47 0.72 -0.54 0.00 0.00 174.62 175.02 1qi3 s PHE 289 N -1.96 -0.13 -0.21 3.99 -0.71 -1.26 -0.63 117.98 117.06 1qi3 s PHE 289 Ca 0.56 -0.20 -0.04 0.00 -1.04 0.00 0.00 56.93 56.21 1qi3 s PHE 289 Cb -0.12 0.32 -0.12 0.00 -1.21 0.00 0.00 43.02 41.90 1qi3 s PHE 289 CO 0.17 -0.83 -0.23 1.33 -1.34 0.00 0.00 175.22 174.32 1qi3 n VAL 290 N -0.29 1.21 -3.76 -2.49 0.24 -1.26 -4.82 118.33 107.15 1qi3 n VAL 290 Ca -0.12 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.69 1qi3 n VAL 290 Cb 0.63 -1.49 -0.05 0.00 -1.47 0.00 0.00 33.84 31.47 1qi3 n VAL 290 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1qi3 s ASP 291 N -6.45 -0.18 0.08 -1.34 1.01 -1.26 -4.66 116.67 103.86 1qi3 s ASP 291 Ca -0.29 -0.53 0.02 0.00 0.71 0.00 0.00 52.55 52.46 1qi3 s ASP 291 Cb 0.09 0.52 -0.01 0.00 1.01 0.00 0.00 42.92 44.54 1qi3 s ASP 291 CO 0.44 -0.97 0.07 -0.46 0.21 0.00 0.00 175.17 174.46 1qi3 n ASN 292 N -0.28 -0.18 0.29 0.27 2.04 -1.26 -4.58 115.26 111.57 1qi3 n ASN 292 Ca -0.11 -1.55 0.18 0.00 -0.44 0.00 0.00 54.58 52.67 1qi3 n ASN 292 Cb 0.63 0.42 0.87 0.00 -2.53 0.00 0.00 39.78 39.17 1qi3 n ASN 292 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 1qi3 h HIS 293 N 1.27 0.00 0.00 -2.53 2.07 -1.88 0.28 115.15 114.36 1qi3 h HIS 293 Ca -0.06 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.36 1qi3 h HIS 293 Cb 0.30 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.26 1qi3 h HIS 293 CO 0.00 0.03 -0.86 -0.25 -3.07 0.00 0.00 177.93 173.78 1qi3 n ASP 294 N -3.19 1.83 0.04 3.10 8.00 -1.26 -4.30 116.55 120.77 1qi3 n ASP 294 Ca -0.01 0.54 -0.12 0.00 0.71 0.00 0.00 54.79 55.91 1qi3 n ASP 294 Cb 0.22 -0.91 -0.01 0.00 -0.02 0.00 0.00 41.12 40.39 1qi3 n ASP 294 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1qi3 h THR 295 N -1.00 1.36 -5.84 -3.53 1.35 -1.87 -1.72 112.91 101.66 1qi3 h THR 295 Ca -0.16 -2.19 -0.36 0.00 -0.55 0.00 0.00 66.41 63.15 1qi3 h THR 295 Cb 0.87 2.17 0.03 0.00 -1.73 0.00 0.00 68.15 69.48 1qi3 h THR 295 CO -0.10 0.66 -0.04 0.61 -0.25 0.00 0.00 175.52 176.41 1qi3 n GLY 296 N 0.70 1.82 3.90 5.82 0.00 1.00 -1.32 105.19 117.10 1qi3 n GLY 296 Ca -0.06 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 1qi3 n GLY 296 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qi3 s TYR 297 N -1.75 3.07 -0.01 1.61 1.51 -1.26 -1.23 117.35 119.28 1qi3 s TYR 297 Ca 0.46 0.81 -0.05 0.00 -1.01 0.00 0.00 57.07 57.28 1qi3 s TYR 297 Cb -0.04 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 1qi3 s TYR 297 CO 0.29 -1.55 0.10 -1.12 -1.11 0.00 0.00 175.55 172.17 1qi3 s SER 298 N -4.50 0.02 0.94 2.29 0.01 -0.52 -4.89 113.70 107.06 1qi3 s SER 298 Ca 0.60 -0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.64 1qi3 s SER 298 Cb -0.11 0.20 0.16 0.00 0.21 0.00 0.00 66.02 66.47 1qi3 s SER 298 CO 0.49 -0.25 1.10 -2.65 0.41 0.00 0.00 173.24 172.35 1qi3 n PRO 299 N 2.00 -0.62 0.00 12.44 -0.02 -1.26 -3.46 135.00 144.08 1qi3 n PRO 299 Ca -0.20 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1qi3 n PRO 299 Cb 0.57 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1qi3 n PRO 299 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qi3 n GLY 300 N 0.39 -1.70 3.70 -1.23 0.00 -1.26 -4.55 105.19 100.53 1qi3 n GLY 300 Ca 0.11 -1.65 -0.59 0.00 0.00 0.00 0.00 46.02 43.90 1qi3 n GLY 300 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qi3 n GLN 301 N 0.00 0.89 -0.94 1.61 7.27 -1.26 -2.11 117.38 122.84 1qi3 n GLN 301 Ca 0.00 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1qi3 n GLN 301 Cb 0.00 -1.96 0.00 0.00 2.41 0.00 0.00 30.24 30.69 1qi3 n GLN 301 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1qi3 n ASN 302 N 4.66 -4.85 -0.86 1.69 5.03 -1.26 -0.79 115.26 118.88 1qi3 n ASN 302 Ca 0.26 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.60 1qi3 n ASN 302 Cb 0.10 -3.02 -0.04 0.00 -1.02 0.00 0.00 39.78 35.79 1qi3 n ASN 302 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qi3 n GLY 303 N 0.18 1.15 7.00 7.41 0.00 -0.90 -4.70 105.19 115.33 1qi3 n GLY 303 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1qi3 n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi3 n GLY 304 N -1.61 0.25 0.11 -0.02 0.00 0.03 -1.43 105.19 102.52 1qi3 n GLY 304 Ca -0.11 -0.95 -0.22 0.00 0.00 0.00 0.00 46.02 44.74 1qi3 n GLY 304 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qi3 h GLN 305 N 0.00 0.08 -6.95 1.61 4.20 -1.75 -3.47 115.11 108.83 1qi3 h GLN 305 Ca 0.00 -0.13 -0.55 0.00 0.06 0.00 0.00 58.65 58.03 1qi3 h GLN 305 Cb 0.00 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1qi3 h GLN 305 CO 0.00 1.06 -0.97 -2.39 -0.67 0.00 0.00 178.83 175.86 1qi3 n HIS 306 N -4.20 -1.39 0.16 2.96 1.44 -0.36 -4.89 115.22 108.95 1qi3 n HIS 306 Ca -0.31 0.17 0.06 0.00 -2.01 0.00 0.00 57.72 55.62 1qi3 n HIS 306 Cb 0.77 -2.58 0.07 0.00 0.12 0.00 0.00 29.99 28.37 1qi3 n HIS 306 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1qi3 h HIS 307 N -1.96 0.00 0.00 -1.40 3.86 -0.95 -3.40 115.15 111.30 1qi3 h HIS 307 Ca -0.66 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.33 1qi3 h HIS 307 Cb 1.32 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.65 1qi3 h HIS 307 CO 0.32 0.33 -0.35 1.87 0.86 0.00 0.00 177.93 180.96 1qi3 n TRP 308 N -3.15 -2.47 -2.66 2.45 -0.00 -0.66 -4.99 117.44 105.96 1qi3 n TRP 308 Ca 0.02 -1.90 -0.41 0.00 -0.00 0.00 0.00 57.50 55.22 1qi3 n TRP 308 Cb 0.67 1.56 -0.05 0.00 -0.00 0.00 0.00 31.31 33.49 1qi3 n TRP 308 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1qi3 s ALA 309 N 0.23 3.32 0.01 5.87 0.00 -0.44 -4.65 121.76 126.12 1qi3 s ALA 309 Ca 0.22 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1qi3 s ALA 309 Cb 0.29 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1qi3 s ALA 309 CO -0.08 0.00 0.99 -1.17 0.00 0.00 0.00 175.76 175.51 1qi3 s LEU 310 N -0.66 4.38 0.50 0.00 2.96 -1.26 -5.00 118.68 119.60 1qi3 s LEU 310 Ca 0.45 1.70 -0.23 0.00 -0.22 0.00 0.00 54.13 55.82 1qi3 s LEU 310 Cb -0.27 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.79 1qi3 s LEU 310 CO 0.33 -0.26 1.41 0.00 -1.32 0.00 0.00 176.35 176.51 1qi3 s GLN 311 N 0.93 3.38 0.55 1.98 -2.07 -1.26 -4.87 119.66 118.29 1qi3 s GLN 311 Ca 0.52 2.36 0.27 0.00 -1.82 0.00 0.00 55.36 56.69 1qi3 s GLN 311 Cb -0.22 -2.45 1.46 0.00 -1.09 0.00 0.00 33.01 30.71 1qi3 s GLN 311 CO 0.28 -1.04 1.99 0.38 -1.32 0.00 0.00 175.29 175.58 1qi3 h ASP 312 N 1.86 0.00 0.32 12.60 2.03 -2.02 -1.80 116.42 129.41 1qi3 h ASP 312 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 1qi3 h ASP 312 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 1qi3 h ASP 312 CO 0.59 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.41 1qi3 n GLY 313 N -1.58 -0.93 0.04 7.15 0.00 -1.26 -2.68 105.19 105.94 1qi3 n GLY 313 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1qi3 n GLY 313 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qi3 n LEU 314 N -1.91 1.40 0.00 0.99 4.77 -0.68 -4.79 117.00 116.78 1qi3 n LEU 314 Ca 0.01 -1.32 -0.10 0.00 -0.03 0.00 0.00 56.01 54.58 1qi3 n LEU 314 Cb 0.11 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1qi3 n LEU 314 CO 0.11 0.34 0.82 0.40 -1.33 0.00 0.00 177.39 177.73 1qi3 h ILE 315 N 0.19 0.78 -0.55 -0.08 2.04 -1.55 0.46 117.51 118.79 1qi3 h ILE 315 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1qi3 h ILE 315 Cb 0.19 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1qi3 h ILE 315 CO 0.00 0.00 0.25 0.03 0.00 0.00 0.00 178.15 178.43 1qi3 h ARG 316 N -0.07 0.80 -0.68 2.37 3.08 -1.87 0.06 114.38 118.07 1qi3 h ARG 316 Ca 0.07 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1qi3 h ARG 316 Cb 0.17 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1qi3 h ARG 316 CO -0.15 0.68 0.35 1.96 -1.07 0.00 0.00 179.97 181.73 1qi3 h GLN 317 N 0.74 0.96 -0.22 0.04 7.50 -1.84 -0.70 115.11 121.60 1qi3 h GLN 317 Ca 0.19 -0.13 -0.02 0.00 0.50 0.00 0.00 58.65 59.19 1qi3 h GLN 317 Cb 0.15 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 1qi3 h GLN 317 CO -0.02 0.74 0.07 0.00 -1.50 0.00 0.00 178.83 178.13 1qi3 h ALA 318 N 1.17 0.29 -0.52 3.87 0.00 -0.53 -1.17 119.26 122.37 1qi3 h ALA 318 Ca 0.24 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1qi3 h ALA 318 Cb 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1qi3 h ALA 318 CO -0.03 -0.09 -0.08 1.88 0.00 0.00 0.00 179.25 180.93 1qi3 h TYR 319 N 0.19 1.04 -0.91 0.00 0.05 -0.84 -2.06 116.97 114.43 1qi3 h TYR 319 Ca 0.07 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.69 1qi3 h TYR 319 Cb 0.23 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 37.65 1qi3 h TYR 319 CO 0.00 0.97 0.59 0.00 -1.05 0.00 0.00 178.16 178.67 1qi3 h ALA 320 N 1.05 1.20 0.25 3.88 0.00 -0.95 -1.14 119.26 123.55 1qi3 h ALA 320 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1qi3 h ALA 320 Cb 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1qi3 h ALA 320 CO 0.04 0.47 -0.12 -0.92 0.00 0.00 0.00 179.25 178.72 1qi3 h TYR 321 N 1.16 -0.31 -0.11 0.00 3.20 -1.00 -2.89 116.97 117.01 1qi3 h TYR 321 Ca 0.36 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.14 1qi3 h TYR 321 Cb -0.02 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1qi3 h TYR 321 CO -0.01 0.05 -0.29 -0.84 -1.64 0.00 0.00 178.16 175.43 1qi3 h ILE 322 N -0.76 1.25 0.00 1.81 3.07 -1.21 -2.49 117.51 119.18 1qi3 h ILE 322 Ca -0.03 -1.17 -0.05 0.00 1.55 0.00 0.00 64.86 65.15 1qi3 h ILE 322 Cb 0.50 1.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.53 1qi3 h ILE 322 CO 0.06 0.35 -0.25 -0.07 -1.05 0.00 0.00 178.15 177.19 1qi3 h LEU 323 N 0.18 0.00 -1.31 0.16 4.07 -1.29 -3.24 115.31 113.87 1qi3 h LEU 323 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1qi3 h LEU 323 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1qi3 h LEU 323 CO 0.04 0.25 -0.23 0.35 -1.08 0.00 0.00 178.44 177.77 1qi3 n THR 324 N -3.29 0.00 -4.32 0.22 -2.24 -1.09 -4.54 114.28 99.02 1qi3 n THR 324 Ca 0.01 -0.39 -0.27 0.00 -2.27 0.00 0.00 64.05 61.14 1qi3 n THR 324 Cb 0.51 1.31 -0.08 0.00 -2.10 0.00 0.00 70.33 69.97 1qi3 n THR 324 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qi3 s SER 325 N -1.96 4.27 1.21 3.42 1.04 -0.95 -4.90 113.70 115.82 1qi3 s SER 325 Ca 0.19 -1.25 -0.17 0.00 0.48 0.00 0.00 55.95 55.21 1qi3 s SER 325 Cb 0.16 -0.24 0.24 0.00 0.10 0.00 0.00 66.02 66.29 1qi3 s SER 325 CO 0.38 -0.61 0.60 -2.65 0.98 0.00 0.00 173.24 171.93 1qi3 n PRO 326 N -1.22 -2.68 0.00 4.02 -0.02 -1.26 -4.81 135.00 129.02 1qi3 n PRO 326 Ca -0.05 -0.77 0.00 0.00 -2.02 0.00 0.00 63.50 60.66 1qi3 n PRO 326 Cb 0.65 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1qi3 n PRO 326 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qi3 n GLY 327 N 1.65 -2.11 3.20 -1.23 0.00 -0.21 -4.86 105.19 101.62 1qi3 n GLY 327 Ca 0.04 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 1qi3 n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qi3 s THR 328 N -0.12 2.89 0.29 2.61 2.01 -0.68 -3.75 115.64 118.88 1qi3 s THR 328 Ca 0.00 -1.05 -0.20 0.00 0.31 0.00 0.00 61.69 60.75 1qi3 s THR 328 Cb 0.00 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 1qi3 s THR 328 CO 0.00 0.17 0.79 -2.16 -0.69 0.00 0.00 174.62 172.74 1qi3 s PRO 329 N 1.32 4.25 -0.10 4.92 0.04 -1.26 -1.24 135.00 142.93 1qi3 s PRO 329 Ca -0.00 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.00 1qi3 s PRO 329 Cb -0.17 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1qi3 s PRO 329 CO -0.04 0.27 -0.21 0.08 0.04 0.00 0.00 177.00 177.14 1qi3 s VAL 330 N -1.72 1.89 -0.19 -0.36 1.01 0.20 -1.73 120.40 119.51 1qi3 s VAL 330 Ca 0.49 -0.91 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1qi3 s VAL 330 Cb -0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1qi3 s VAL 330 CO 0.20 0.52 0.04 -0.69 0.00 0.00 0.00 175.10 175.17 1qi3 s VAL 331 N 0.53 4.48 0.00 2.92 1.01 0.05 -4.35 120.40 125.04 1qi3 s VAL 331 Ca -0.15 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1qi3 s VAL 331 Cb -0.17 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1qi3 s VAL 331 CO 0.05 0.45 1.19 -0.47 0.00 0.00 0.00 175.10 176.32 1qi3 s TYR 332 N 0.56 3.32 0.19 5.22 5.04 -1.26 -0.06 117.35 130.37 1qi3 s TYR 332 Ca 0.02 1.27 -0.18 0.00 -2.44 0.00 0.00 57.07 55.74 1qi3 s TYR 332 Cb -0.13 -3.41 0.16 0.00 0.35 0.00 0.00 41.96 38.93 1qi3 s TYR 332 CO 0.02 -1.25 1.38 1.87 -1.34 0.00 0.00 175.55 176.23 1qi3 n TRP 333 N 4.56 -0.06 -0.33 4.97 -0.00 -1.01 -1.87 117.44 123.70 1qi3 n TRP 333 Ca 0.10 1.10 -0.02 0.00 -0.00 0.00 0.00 57.50 58.68 1qi3 n TRP 333 Cb 0.47 -0.78 0.11 0.00 -0.00 0.00 0.00 31.31 31.11 1qi3 n TRP 333 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1qi3 h ASP 334 N 0.00 0.99 -0.46 5.87 5.19 -1.88 0.24 116.42 126.37 1qi3 h ASP 334 Ca 0.27 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.61 1qi3 h ASP 334 Cb 0.50 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 1qi3 h ASP 334 CO -0.87 0.69 0.06 0.45 -3.12 0.00 0.00 179.24 176.45 1qi3 h HIS 335 N 1.15 0.82 0.35 4.55 3.86 -1.78 0.22 115.15 124.33 1qi3 h HIS 335 Ca 0.35 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 1qi3 h HIS 335 Cb -0.04 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1qi3 h HIS 335 CO -0.01 0.77 -0.17 1.98 0.86 0.00 0.00 177.93 181.36 1qi3 h MET 336 N 0.62 -0.45 0.00 2.45 1.85 -1.07 -2.27 114.93 116.06 1qi3 h MET 336 Ca 0.14 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 1qi3 h MET 336 Cb 0.41 0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.54 1qi3 h MET 336 CO 0.01 -0.13 -1.07 0.66 -0.40 0.00 0.00 176.91 175.98 1qi3 n TYR 337 N -5.14 0.00 -0.09 1.39 4.01 0.80 -3.40 117.16 114.73 1qi3 n TYR 337 Ca -0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.49 1qi3 n TYR 337 Cb 0.28 -0.13 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 1qi3 n TYR 337 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1qi3 n ASP 338 N -1.60 1.93 -0.51 7.72 8.00 -0.60 -4.79 116.55 126.70 1qi3 n ASP 338 Ca 0.00 0.08 0.14 0.00 0.71 0.00 0.00 54.79 55.72 1qi3 n ASP 338 Cb 0.28 -0.42 0.47 0.00 -0.02 0.00 0.00 41.12 41.43 1qi3 n ASP 338 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1qi3 n TRP 339 N -3.45 0.00 -1.50 1.24 8.01 0.68 -4.99 117.44 117.43 1qi3 n TRP 339 Ca -0.34 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.85 1qi3 n TRP 339 Cb 0.79 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 30.08 1qi3 n TRP 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qi3 n GLY 340 N 1.20 0.50 0.66 6.99 0.00 -1.25 -4.94 105.19 108.35 1qi3 n GLY 340 Ca 0.18 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.44 1qi3 n GLY 340 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qi3 n TYR 341 N -3.44 0.00 -0.17 1.61 4.01 -0.85 -4.63 117.16 113.69 1qi3 n TYR 341 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1qi3 n TYR 341 Cb 0.30 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.36 1qi3 n TYR 341 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qi3 h GLY 342 N 4.34 0.15 1.15 2.72 0.00 -1.58 0.16 103.07 110.01 1qi3 h GLY 342 Ca 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1qi3 h GLY 342 CO 0.00 -0.22 0.06 -0.55 0.00 0.00 0.00 176.54 175.83 1qi3 h ASP 343 N -0.10 0.99 -0.22 0.19 3.32 -1.87 0.20 116.42 118.93 1qi3 h ASP 343 Ca 0.24 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1qi3 h ASP 343 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1qi3 h ASP 343 CO -0.59 1.01 0.05 0.15 -1.72 0.00 0.00 179.24 178.13 1qi3 h PHE 344 N 0.95 0.38 -0.44 4.55 3.57 -1.74 -2.02 116.94 122.19 1qi3 h PHE 344 Ca 0.18 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1qi3 h PHE 344 Cb 0.47 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1qi3 h PHE 344 CO 0.03 0.48 0.07 0.82 -2.23 0.00 0.00 178.31 177.48 1qi3 h ILE 345 N 0.17 1.25 -0.47 1.41 2.04 -0.43 -2.55 117.51 118.93 1qi3 h ILE 345 Ca 0.07 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.12 1qi3 h ILE 345 Cb 0.29 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 1qi3 h ILE 345 CO 0.00 0.31 0.02 0.03 0.00 0.00 0.00 178.15 178.51 1qi3 h ARG 346 N 0.60 0.13 -0.26 2.37 3.08 -0.52 0.08 114.38 119.85 1qi3 h ARG 346 Ca 0.13 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.23 1qi3 h ARG 346 Cb 0.38 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 1qi3 h ARG 346 CO 0.01 0.08 -0.04 1.96 -1.07 0.00 0.00 179.97 180.91 1qi3 h GLN 347 N 0.13 0.03 -0.19 0.04 4.20 -1.04 -2.12 115.11 116.16 1qi3 h GLN 347 Ca 0.24 -0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 1qi3 h GLN 347 Cb 0.35 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1qi3 h GLN 347 CO -0.38 0.02 -0.20 -0.07 -0.67 0.00 0.00 178.83 177.53 1qi3 h LEU 348 N 0.03 0.32 -0.75 1.46 3.38 -0.95 -1.56 115.31 117.24 1qi3 h LEU 348 Ca 0.12 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1qi3 h LEU 348 Cb 0.18 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1qi3 h LEU 348 CO -0.24 0.54 0.32 0.40 0.09 0.00 0.00 178.44 179.55 1qi3 h ILE 349 N 0.30 1.25 -0.63 1.22 2.04 -0.47 0.92 117.51 122.14 1qi3 h ILE 349 Ca 0.05 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 1qi3 h ILE 349 Cb 0.53 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1qi3 h ILE 349 CO 0.04 0.31 0.07 1.56 0.00 0.00 0.00 178.15 180.13 1qi3 h GLN 350 N 1.08 1.07 -0.24 2.37 4.20 -1.01 -0.34 115.11 122.23 1qi3 h GLN 350 Ca 0.25 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1qi3 h GLN 350 Cb 0.19 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1qi3 h GLN 350 CO -0.02 1.00 0.11 0.28 -0.67 0.00 0.00 178.83 179.53 1qi3 h VAL 351 N 0.98 1.15 -0.33 -0.54 2.07 -0.85 -0.17 116.25 118.56 1qi3 h VAL 351 Ca 0.19 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1qi3 h VAL 351 Cb 0.48 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1qi3 h VAL 351 CO 0.02 0.15 0.05 -0.09 0.02 0.00 0.00 177.57 177.72 1qi3 h ARG 352 N 0.25 0.16 -0.49 1.57 2.43 -0.53 -0.62 114.38 117.15 1qi3 h ARG 352 Ca 0.08 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1qi3 h ARG 352 Cb 0.13 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1qi3 h ARG 352 CO -0.01 0.10 -0.19 0.00 -1.51 0.00 0.00 179.97 178.36 1qi3 h ARG 353 N 0.16 0.99 -0.24 0.20 3.08 -0.92 -2.12 114.38 115.53 1qi3 h ARG 353 Ca 0.15 -0.41 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1qi3 h ARG 353 Cb 0.18 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1qi3 h ARG 353 CO -0.21 1.09 -0.19 0.00 -1.07 0.00 0.00 179.97 179.58 1qi3 h ALA 354 N 0.87 1.22 0.00 0.04 0.00 -0.77 -2.38 119.26 118.24 1qi3 h ALA 354 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qi3 h ALA 354 Cb 0.77 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qi3 h ALA 354 CO 0.06 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1qi3 h ALA 355 N 1.40 1.00 -1.77 0.00 0.00 -1.01 -3.40 119.26 115.49 1qi3 h ALA 355 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1qi3 h ALA 355 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1qi3 h ALA 355 CO 0.04 0.00 -0.19 0.41 0.00 0.00 0.00 179.25 179.51 1qi3 n GLY 356 N 1.05 0.32 3.75 0.00 0.00 -0.85 -0.49 105.19 108.97 1qi3 n GLY 356 Ca 0.04 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1qi3 n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qi3 s VAL 357 N -2.75 3.73 0.32 1.61 1.01 -0.89 -1.11 120.40 122.31 1qi3 s VAL 357 Ca 0.10 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.72 1qi3 s VAL 357 Cb -0.04 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1qi3 s VAL 357 CO 0.12 0.32 0.21 0.00 0.00 0.00 0.00 175.10 175.75 1qi3 s ARG 358 N -0.83 1.67 0.28 2.72 1.70 -1.26 -4.87 118.95 118.35 1qi3 s ARG 358 Ca 0.47 -1.96 0.02 0.00 -0.47 0.00 0.00 55.73 53.79 1qi3 s ARG 358 Cb -0.30 0.08 0.67 0.00 -0.57 0.00 0.00 34.95 34.83 1qi3 s ARG 358 CO 0.37 -0.54 1.70 0.00 -1.08 0.00 0.00 175.30 175.75 1qi3 h ALA 359 N 2.17 1.34 -0.70 7.88 0.00 -1.12 -1.68 119.26 127.15 1qi3 h ALA 359 Ca -0.30 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qi3 h ALA 359 Cb 1.24 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1qi3 h ALA 359 CO 0.45 -0.32 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 1qi3 n ASP 360 N -5.05 4.25 -4.72 0.00 5.75 -1.26 -1.04 116.55 114.48 1qi3 n ASP 360 Ca 0.20 -2.19 -0.39 0.00 -0.01 0.00 0.00 54.79 52.41 1qi3 n ASP 360 Cb 0.60 -0.53 0.04 0.00 -1.03 0.00 0.00 41.12 40.20 1qi3 n ASP 360 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1qi3 n SER 361 N 1.42 2.42 -4.77 -1.12 7.64 -0.63 -4.91 113.62 113.68 1qi3 n SER 361 Ca 0.25 0.98 -0.38 0.00 1.01 0.00 0.00 58.87 60.73 1qi3 n SER 361 Cb 0.73 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.35 1qi3 n SER 361 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qi3 s ALA 362 N -1.30 3.20 -0.02 -0.43 0.00 -1.26 -4.60 121.76 117.36 1qi3 s ALA 362 Ca 0.70 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1qi3 s ALA 362 Cb -0.44 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.41 1qi3 s ALA 362 CO 0.51 -0.22 0.02 -1.50 0.00 0.00 0.00 175.76 174.57 1qi3 s ILE 363 N -1.47 0.04 -0.03 0.00 2.07 -1.26 -0.77 121.20 119.79 1qi3 s ILE 363 Ca 0.53 0.17 0.06 0.00 -1.41 0.00 0.00 60.65 60.00 1qi3 s ILE 363 Cb -0.26 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 1qi3 s ILE 363 CO 0.33 0.12 -0.21 -0.44 -1.91 0.00 0.00 174.94 172.82 1qi3 s SER 364 N 1.08 2.54 -0.08 4.50 0.01 -0.72 -4.91 113.70 116.12 1qi3 s SER 364 Ca -0.09 -0.41 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 1qi3 s SER 364 Cb -0.13 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 1qi3 s SER 364 CO -0.02 0.23 -0.01 -0.36 0.41 0.00 0.00 173.24 173.48 1qi3 s PHE 365 N -0.27 3.12 -0.27 2.43 0.08 -1.26 -0.45 117.98 121.36 1qi3 s PHE 365 Ca 0.02 0.16 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 1qi3 s PHE 365 Cb -0.10 -1.77 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1qi3 s PHE 365 CO 0.01 0.45 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.56 1qi3 s HIS 366 N -0.87 3.13 0.41 0.36 3.76 0.38 -4.99 115.29 117.47 1qi3 s HIS 366 Ca 0.13 -1.49 0.14 0.00 -0.15 0.00 0.00 55.06 53.69 1qi3 s HIS 366 Cb -0.11 -2.12 0.88 0.00 1.11 0.00 0.00 32.58 32.34 1qi3 s HIS 366 CO 0.02 -0.71 1.92 0.77 -0.85 0.00 0.00 174.74 175.89 1qi3 h SER 367 N 8.07 0.00 0.10 1.40 0.02 -1.98 -3.36 113.55 117.80 1qi3 h SER 367 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1qi3 h SER 367 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1qi3 h SER 367 CO 0.57 0.26 -0.01 0.61 -1.14 0.00 0.00 176.83 177.12 1qi3 n GLY 368 N -0.78 -0.87 3.68 -3.77 0.00 -1.26 -4.90 105.19 97.29 1qi3 n GLY 368 Ca -0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1qi3 n GLY 368 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qi3 s TYR 369 N -2.12 2.57 0.63 1.61 2.02 -1.26 -5.06 117.35 115.74 1qi3 s TYR 369 Ca 0.42 -0.57 -0.07 0.00 -0.37 0.00 0.00 57.07 56.48 1qi3 s TYR 369 Cb 0.21 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 40.01 1qi3 s TYR 369 CO 0.39 0.34 0.95 -1.54 -1.57 0.00 0.00 175.55 174.11 1qi3 s SER 370 N -3.80 5.42 0.55 2.29 1.04 -1.26 -4.91 113.70 113.03 1qi3 s SER 370 Ca 0.38 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1qi3 s SER 370 Cb 0.05 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.55 1qi3 s SER 370 CO 0.20 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1qi3 n GLY 371 N -2.70 0.64 3.40 7.32 0.00 -1.23 -3.93 105.19 108.68 1qi3 n GLY 371 Ca 0.05 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1qi3 n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qi3 s LEU 372 N 0.00 2.95 -0.10 0.99 1.98 -0.16 -4.28 118.68 120.06 1qi3 s LEU 372 Ca 0.00 -0.27 -0.00 0.00 -2.89 0.00 0.00 54.13 50.97 1qi3 s LEU 372 Cb 0.00 -1.70 0.02 0.00 0.66 0.00 0.00 46.19 45.17 1qi3 s LEU 372 CO 0.00 0.12 -0.08 0.54 -1.89 0.00 0.00 176.35 175.04 1qi3 s VAL 373 N 0.63 1.02 0.08 1.68 0.11 -1.26 -0.84 120.40 121.82 1qi3 s VAL 373 Ca -0.04 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 58.75 1qi3 s VAL 373 Cb -0.15 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.64 1qi3 s VAL 373 CO 0.03 0.36 -0.12 0.00 -3.33 0.00 0.00 175.10 172.04 1qi3 s ALA 374 N 1.56 1.11 -0.21 1.54 0.00 -0.64 -0.47 121.76 124.65 1qi3 s ALA 374 Ca 0.02 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1qi3 s ALA 374 Cb -0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1qi3 s ALA 374 CO -0.06 0.05 -0.08 0.99 0.00 0.00 0.00 175.76 176.66 1qi3 s THR 375 N -1.87 3.08 -0.16 0.00 2.01 0.40 -1.54 115.64 117.57 1qi3 s THR 375 Ca 0.01 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1qi3 s THR 375 Cb -0.06 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1qi3 s THR 375 CO 0.01 0.44 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 1qi3 s VAL 376 N 1.43 3.07 -1.07 3.82 1.01 0.83 -1.76 120.40 127.74 1qi3 s VAL 376 Ca 0.05 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1qi3 s VAL 376 Cb -0.14 -2.33 0.18 0.00 0.00 0.00 0.00 36.38 34.09 1qi3 s VAL 376 CO -0.05 0.49 1.23 -0.44 0.00 0.00 0.00 175.10 176.33 1qi3 s SER 377 N 0.78 6.94 0.84 3.32 0.01 0.05 -0.37 113.70 125.27 1qi3 s SER 377 Ca -0.04 -2.76 -0.11 0.00 1.31 0.00 0.00 55.95 54.34 1qi3 s SER 377 Cb -0.15 -2.35 0.09 0.00 0.21 0.00 0.00 66.02 63.82 1qi3 s SER 377 CO 0.01 -0.76 1.09 -0.83 0.41 0.00 0.00 173.24 173.17 1qi3 s GLY 378 N 2.79 1.63 0.34 3.44 0.00 -0.39 -4.00 107.32 111.12 1qi3 s GLY 378 Ca 0.35 -0.08 0.16 0.00 0.00 0.00 0.00 44.72 45.15 1qi3 s GLY 378 CO -0.05 0.36 1.69 1.48 0.00 0.00 0.00 173.10 176.58 1qi3 h SER 379 N -1.30 0.00 0.01 1.64 4.64 -0.78 -3.34 113.55 114.41 1qi3 h SER 379 Ca -0.48 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.43 1qi3 h SER 379 Cb 1.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1qi3 h SER 379 CO 0.56 0.45 -2.39 0.00 -0.87 0.00 0.00 176.83 174.58 1qi3 n GLN 380 N -3.60 0.62 -4.17 4.77 1.13 0.36 -4.98 117.38 111.51 1qi3 n GLN 380 Ca -0.00 0.24 -0.11 0.00 -1.94 0.00 0.00 57.00 55.19 1qi3 n GLN 380 Cb 0.55 -1.54 -0.10 0.00 0.11 0.00 0.00 30.24 29.26 1qi3 n GLN 380 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1qi3 s GLN 381 N -2.51 0.95 -0.09 -1.09 -0.21 -0.27 -4.99 119.66 111.46 1qi3 s GLN 381 Ca -0.36 -1.44 -0.07 0.00 0.02 0.00 0.00 55.36 53.51 1qi3 s GLN 381 Cb 0.12 0.07 -0.04 0.00 1.00 0.00 0.00 33.01 34.15 1qi3 s GLN 381 CO 0.56 -0.20 0.18 0.99 -2.12 0.00 0.00 175.29 174.70 1qi3 s THR 382 N -3.90 5.45 0.02 -0.19 2.01 -1.26 -1.26 115.64 116.50 1qi3 s THR 382 Ca 0.22 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.51 1qi3 s THR 382 Cb 0.07 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1qi3 s THR 382 CO 0.01 0.56 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.52 1qi3 s LEU 383 N -1.21 2.38 -0.19 4.42 1.02 0.50 -1.58 118.68 124.02 1qi3 s LEU 383 Ca 0.18 -0.47 -0.00 0.00 0.02 0.00 0.00 54.13 53.86 1qi3 s LEU 383 Cb -0.13 -1.41 0.01 0.00 0.02 0.00 0.00 46.19 44.68 1qi3 s LEU 383 CO 0.08 0.28 -0.16 -0.69 0.02 0.00 0.00 176.35 175.88 1qi3 s VAL 384 N -0.81 2.47 -0.16 -1.59 1.01 -0.14 -0.12 120.40 121.05 1qi3 s VAL 384 Ca 0.12 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1qi3 s VAL 384 Cb -0.10 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1qi3 s VAL 384 CO 0.03 0.51 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 1qi3 s VAL 385 N 1.26 2.47 -0.15 2.92 1.01 -0.59 -0.59 120.40 126.74 1qi3 s VAL 385 Ca 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1qi3 s VAL 385 Cb -0.14 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.24 1qi3 s VAL 385 CO -0.08 0.52 -0.05 0.00 0.00 0.00 0.00 175.10 175.49 1qi3 s ALA 386 N 0.95 1.36 -0.15 5.51 0.00 -0.06 -1.62 121.76 127.75 1qi3 s ALA 386 Ca -0.03 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1qi3 s ALA 386 Cb -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1qi3 s ALA 386 CO -0.03 -0.68 -0.18 -0.51 0.00 0.00 0.00 175.76 174.36 1qi3 s LEU 387 N 1.69 2.35 -1.66 0.00 1.43 -0.02 -1.98 118.68 120.49 1qi3 s LEU 387 Ca 0.02 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 1qi3 s LEU 387 Cb -0.14 -1.52 0.14 0.00 0.03 0.00 0.00 46.19 44.69 1qi3 s LEU 387 CO -0.08 0.08 0.82 0.59 0.23 0.00 0.00 176.35 177.99 1qi3 n ASN 388 N 4.08 -3.53 -4.64 2.29 5.03 0.44 -0.99 115.26 117.94 1qi3 n ASN 388 Ca -0.19 -0.96 -0.25 0.00 0.87 0.00 0.00 54.58 54.05 1qi3 n ASN 388 Cb 0.52 -3.02 -0.08 0.00 -1.02 0.00 0.00 39.78 36.18 1qi3 n ASN 388 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1qi3 s SER 389 N -3.34 4.60 0.00 6.41 0.15 -1.26 -3.47 113.70 116.79 1qi3 s SER 389 Ca 0.70 -0.54 0.26 0.00 0.70 0.00 0.00 55.95 57.06 1qi3 s SER 389 Cb -0.37 -0.90 0.68 0.00 -1.71 0.00 0.00 66.02 63.72 1qi3 s SER 389 CO 0.91 0.04 1.52 -0.90 1.20 0.00 0.00 173.24 176.01 1qi3 n ASP 390 N -0.52 1.14 -4.53 5.45 5.68 -1.25 -4.94 116.55 117.58 1qi3 n ASP 390 Ca -0.08 -0.97 -0.51 0.00 -0.50 0.00 0.00 54.79 52.73 1qi3 n ASP 390 Cb 0.57 0.17 -0.05 0.00 -1.14 0.00 0.00 41.12 40.67 1qi3 n ASP 390 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1qi3 n LEU 391 N -0.56 0.65 -0.09 -2.12 7.94 -1.26 -4.91 117.00 116.65 1qi3 n LEU 391 Ca 0.12 1.14 -0.15 0.00 -1.11 0.00 0.00 56.01 56.01 1qi3 n LEU 391 Cb 0.36 -1.10 -0.08 0.00 0.53 0.00 0.00 43.42 43.13 1qi3 n LEU 391 CO 0.26 -1.77 -0.37 1.23 -1.11 0.00 0.00 177.39 175.63 1qi3 h GLY 392 N 2.79 0.00 -4.51 -3.96 0.00 -2.02 -3.49 103.07 91.88 1qi3 h GLY 392 Ca -0.42 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 1qi3 h GLY 392 CO 0.66 0.00 -0.57 0.54 0.00 0.00 0.00 176.54 177.17 1qi3 s ASN 393 N -6.42 0.16 0.56 0.19 4.22 -1.26 -5.05 114.94 107.35 1qi3 s ASN 393 Ca -0.23 -0.44 0.25 0.00 -2.14 0.00 0.00 52.86 50.30 1qi3 s ASN 393 Cb 0.04 0.18 1.54 0.00 1.28 0.00 0.00 41.25 44.28 1qi3 s ASN 393 CO 0.47 -0.41 2.13 1.55 -2.04 0.00 0.00 177.10 178.80 1qi3 h PRO 394 N 4.13 0.00 0.00 3.55 0.13 -1.94 -1.80 132.00 136.07 1qi3 h PRO 394 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1qi3 h PRO 394 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1qi3 h PRO 394 CO 0.45 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.00 1qi3 h GLY 395 N 0.00 0.00 2.00 1.56 0.00 -1.91 -0.76 103.07 103.96 1qi3 h GLY 395 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1qi3 h GLY 395 CO -0.00 0.00 -0.13 1.46 0.00 0.00 0.00 176.54 177.87 1qi3 h GLN 396 N 0.00 0.00 0.00 4.80 4.20 -1.75 -3.32 115.11 119.04 1qi3 h GLN 396 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qi3 h GLN 396 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1qi3 h GLN 396 CO 0.00 0.13 -0.19 1.55 -0.67 0.00 0.00 178.83 179.66 1qi3 n VAL 397 N -3.40 0.00 -3.87 -0.54 3.14 -1.01 -5.07 118.33 107.59 1qi3 n VAL 397 Ca -0.01 -0.22 -0.12 0.00 -2.96 0.00 0.00 64.34 61.04 1qi3 n VAL 397 Cb 0.32 0.80 -0.12 0.00 -1.06 0.00 0.00 33.84 33.78 1qi3 n VAL 397 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1qi3 s ALA 398 N -0.82 -0.22 0.19 1.55 0.00 -0.32 -5.03 121.76 117.10 1qi3 s ALA 398 Ca 0.00 0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 1qi3 s ALA 398 Cb 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.98 1qi3 s ALA 398 CO 0.00 -0.11 0.86 0.45 0.00 0.00 0.00 175.76 176.97 1qi3 s SER 399 N -0.53 7.50 0.00 0.00 0.15 -1.26 -4.15 113.70 115.41 1qi3 s SER 399 Ca -0.06 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1qi3 s SER 399 Cb -0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1qi3 s SER 399 CO 0.00 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1qi3 n GLY 400 N 1.66 1.21 3.50 9.45 0.00 -1.26 -5.04 105.19 114.71 1qi3 n GLY 400 Ca -0.03 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 1qi3 n GLY 400 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qi3 s SER 401 N 0.00 5.77 -0.02 1.61 0.15 -1.26 -4.90 113.70 115.05 1qi3 s SER 401 Ca 0.00 -0.37 0.06 0.00 0.70 0.00 0.00 55.95 56.34 1qi3 s SER 401 Cb 0.00 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1qi3 s SER 401 CO 0.00 -0.17 -0.19 -0.36 1.20 0.00 0.00 173.24 173.72 1qi3 s PHE 402 N 1.68 2.55 0.12 3.44 0.08 -1.26 -4.17 117.98 120.43 1qi3 s PHE 402 Ca 0.06 -0.27 0.08 0.00 0.12 0.00 0.00 56.93 56.92 1qi3 s PHE 402 Cb -0.17 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1qi3 s PHE 402 CO 0.08 0.14 -0.13 -1.12 -0.10 0.00 0.00 175.22 174.09 1qi3 s SER 403 N -0.89 4.14 0.04 1.36 0.01 0.12 -4.91 113.70 113.58 1qi3 s SER 403 Ca 0.12 -0.50 -0.31 0.00 1.31 0.00 0.00 55.95 56.57 1qi3 s SER 403 Cb -0.10 -0.68 -0.06 0.00 0.21 0.00 0.00 66.02 65.38 1qi3 s SER 403 CO 0.01 0.16 1.31 -0.70 0.41 0.00 0.00 173.24 174.44 1qi3 s GLU 404 N -2.30 4.35 -0.15 12.44 2.12 -1.26 -0.71 118.70 133.18 1qi3 s GLU 404 Ca 0.21 1.90 0.03 0.00 0.36 0.00 0.00 54.97 57.46 1qi3 s GLU 404 Cb -0.10 -3.42 -0.11 0.00 0.26 0.00 0.00 34.13 30.76 1qi3 s GLU 404 CO 0.12 -0.43 -0.10 0.00 -0.54 0.00 0.00 175.26 174.32 1qi3 n ALA 405 N 4.54 1.68 -3.25 6.30 0.00 0.12 -4.87 120.51 125.02 1qi3 n ALA 405 Ca 0.11 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 1qi3 n ALA 405 Cb 0.44 0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 1qi3 n ALA 405 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qi3 s VAL 406 N -2.30 -0.02 -0.34 0.00 1.01 -0.65 -4.97 120.40 113.13 1qi3 s VAL 406 Ca -0.18 0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1qi3 s VAL 406 Cb 0.05 -0.19 0.15 0.00 0.00 0.00 0.00 36.38 36.39 1qi3 s VAL 406 CO 0.38 0.03 0.34 0.21 0.00 0.00 0.00 175.10 176.05 1qi3 s ASN 407 N 0.44 1.46 0.28 3.32 3.04 -1.25 -0.75 114.94 121.49 1qi3 s ASN 407 Ca -0.03 -1.27 0.03 0.00 0.04 0.00 0.00 52.86 51.63 1qi3 s ASN 407 Cb -0.05 0.49 -0.06 0.00 -1.54 0.00 0.00 41.25 40.10 1qi3 s ASN 407 CO -0.02 -0.32 0.04 0.00 -3.04 0.00 0.00 177.10 173.76 1qi3 s ALA 408 N 1.80 2.07 -1.08 1.71 0.00 0.43 -4.84 121.76 121.84 1qi3 s ALA 408 Ca 0.14 -1.92 -0.25 0.00 0.00 0.00 0.00 51.96 49.93 1qi3 s ALA 408 Cb -0.15 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1qi3 s ALA 408 CO -0.15 -0.30 0.64 -1.13 0.00 0.00 0.00 175.76 174.82 1qi3 n SER 409 N -0.55 -4.20 -3.79 0.00 3.41 -1.26 -1.60 113.62 105.63 1qi3 n SER 409 Ca -0.03 -1.20 -0.26 0.00 -0.26 0.00 0.00 58.87 57.13 1qi3 n SER 409 Cb 0.65 -1.55 0.03 0.00 -0.26 0.00 0.00 64.21 63.09 1qi3 n SER 409 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qi3 n ASN 410 N -2.21 -3.27 0.00 4.04 4.13 -1.26 -1.68 115.26 115.02 1qi3 n ASN 410 Ca -0.17 -0.78 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1qi3 n ASN 410 Cb 0.59 -4.07 0.00 0.00 -1.54 0.00 0.00 39.78 34.76 1qi3 n ASN 410 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qi3 n GLY 411 N -1.65 0.68 0.20 7.41 0.00 -0.98 -4.88 105.19 105.97 1qi3 n GLY 411 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1qi3 n GLY 411 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qi3 h GLN 412 N 1.89 0.00 -4.85 1.61 4.20 -0.96 -3.38 115.11 113.62 1qi3 h GLN 412 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 1qi3 h GLN 412 Cb 0.06 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.47 1qi3 h GLN 412 CO 0.00 0.35 -0.80 0.08 -0.67 0.00 0.00 178.83 177.78 1qi3 s VAL 413 N -3.91 2.13 -0.04 -0.54 1.01 -0.63 -0.42 120.40 118.01 1qi3 s VAL 413 Ca -0.01 -1.58 0.02 0.00 0.00 0.00 0.00 61.98 60.40 1qi3 s VAL 413 Cb 0.13 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1qi3 s VAL 413 CO 0.69 -0.01 -0.06 -0.13 0.00 0.00 0.00 175.10 175.58 1qi3 s ARG 414 N 1.13 0.95 -0.03 2.72 0.52 -0.84 -0.43 118.95 122.97 1qi3 s ARG 414 Ca -0.08 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 54.96 1qi3 s ARG 414 Cb -0.20 -0.90 0.01 0.00 0.52 0.00 0.00 34.95 34.39 1qi3 s ARG 414 CO -0.05 -0.02 -0.07 0.08 0.02 0.00 0.00 175.30 175.26 1qi3 s VAL 415 N 0.67 0.67 0.07 3.52 1.01 0.08 -0.88 120.40 125.54 1qi3 s VAL 415 Ca -0.10 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1qi3 s VAL 415 Cb -0.13 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1qi3 s VAL 415 CO 0.01 0.22 -0.19 0.26 0.00 0.00 0.00 175.10 175.40 1qi3 s TRP 416 N 0.34 1.63 0.10 5.22 0.51 0.25 0.16 118.94 127.15 1qi3 s TRP 416 Ca -0.05 -0.40 0.08 0.00 -2.12 0.00 0.00 56.10 53.61 1qi3 s TRP 416 Cb -0.09 -0.92 -0.04 0.00 -0.81 0.00 0.00 33.47 31.60 1qi3 s TRP 416 CO 0.00 0.13 -0.18 1.03 -0.51 0.00 0.00 176.95 177.43 1qi3 s ARG 417 N -1.59 1.86 0.00 4.98 0.52 0.11 -0.97 118.95 123.86 1qi3 s ARG 417 Ca 0.05 -1.13 0.22 0.00 -0.52 0.00 0.00 55.73 54.35 1qi3 s ARG 417 Cb -0.09 -2.14 1.34 0.00 0.52 0.00 0.00 34.95 34.58 1qi3 s ARG 417 CO 0.03 0.49 1.71 -1.13 0.02 0.00 0.00 175.30 176.42