#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qe3 n HIS 3 N 0.00 0.11 -3.65 4.78 1.44 -1.26 -4.94 115.22 111.69 1qe3 n HIS 3 Ca 0.00 -0.05 -0.25 0.00 -2.01 0.00 0.00 57.72 55.41 1qe3 n HIS 3 Cb 0.00 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.18 1qe3 n HIS 3 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1qe3 n GLN 4 N -0.31 -7.37 -3.22 -1.40 1.13 -1.26 -4.53 117.38 100.42 1qe3 n GLN 4 Ca 0.09 0.78 -0.39 0.00 -1.94 0.00 0.00 57.00 55.54 1qe3 n GLN 4 Cb 0.12 -5.80 -0.06 0.00 0.11 0.00 0.00 30.24 24.61 1qe3 n GLN 4 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1qe3 s ILE 5 N -3.33 5.10 -0.03 5.09 1.01 -1.26 -2.06 121.20 125.72 1qe3 s ILE 5 Ca 0.55 1.04 0.05 0.00 0.00 0.00 0.00 60.65 62.29 1qe3 s ILE 5 Cb -0.25 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 1qe3 s ILE 5 CO 0.75 0.20 -0.17 -0.69 0.00 0.00 0.00 174.94 175.03 1qe3 s VAL 6 N 1.43 1.40 -0.36 2.92 1.01 0.11 -4.96 120.40 121.95 1qe3 s VAL 6 Ca 0.26 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 1qe3 s VAL 6 Cb -0.16 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1qe3 s VAL 6 CO 0.10 0.40 0.57 -0.89 0.00 0.00 0.00 175.10 175.29 1qe3 s THR 7 N -0.08 4.95 0.55 3.92 2.01 -1.26 -1.13 115.64 124.61 1qe3 s THR 7 Ca -0.01 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1qe3 s THR 7 Cb -0.10 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.41 1qe3 s THR 7 CO 0.01 -0.27 0.78 0.42 -0.69 0.00 0.00 174.62 174.87 1qe3 s THR 8 N 2.55 2.87 -0.86 -0.82 -4.23 -0.56 -4.92 115.64 109.66 1qe3 s THR 8 Ca 0.21 -0.58 0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1qe3 s THR 8 Cb -0.15 -3.09 0.07 0.00 1.34 0.00 0.00 72.50 70.67 1qe3 s THR 8 CO 0.14 -0.07 1.22 0.00 -0.54 0.00 0.00 174.62 175.37 1qe3 n GLN 9 N -2.36 0.03 0.00 3.99 10.64 -1.26 -1.86 117.38 126.56 1qe3 n GLN 9 Ca 0.07 0.47 0.03 0.00 -1.83 0.00 0.00 57.00 55.73 1qe3 n GLN 9 Cb 0.59 -1.58 0.01 0.00 -0.86 0.00 0.00 30.24 28.40 1qe3 n GLN 9 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qe3 n TYR 10 N -1.64 0.00 0.00 2.61 4.01 -1.26 -5.03 117.16 115.85 1qe3 n TYR 10 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1qe3 n TYR 10 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1qe3 n TYR 10 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qe3 n GLY 11 N 0.57 3.11 3.77 2.72 0.00 -0.77 -1.18 105.19 113.42 1qe3 n GLY 11 Ca 0.02 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 1qe3 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qe3 s LYS 12 N -2.17 4.39 0.02 1.61 1.02 -1.25 -1.49 119.74 121.86 1qe3 s LYS 12 Ca 0.00 1.60 0.03 0.00 0.02 0.00 0.00 55.97 57.62 1qe3 s LYS 12 Cb 0.00 -2.81 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1qe3 s LYS 12 CO 0.00 0.04 -0.10 0.14 -0.92 0.00 0.00 175.35 174.51 1qe3 s VAL 13 N -1.46 0.73 -0.15 3.17 -7.23 -0.28 -1.30 120.40 113.88 1qe3 s VAL 13 Ca 0.52 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 60.00 1qe3 s VAL 13 Cb -0.25 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 36.03 1qe3 s VAL 13 CO 0.32 -0.02 -0.19 -0.75 -0.31 0.00 0.00 175.10 174.15 1qe3 s LYS 14 N -0.80 2.79 0.00 4.82 2.20 0.82 -0.71 119.74 128.86 1qe3 s LYS 14 Ca -0.01 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 1qe3 s LYS 14 Cb -0.06 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1qe3 s LYS 14 CO 0.00 -0.14 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 1qe3 n GLY 15 N 4.42 2.16 3.38 5.54 0.00 -0.88 -0.96 105.19 118.85 1qe3 n GLY 15 Ca -0.20 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 1qe3 n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qe3 s THR 16 N 2.51 0.01 -0.10 2.61 -1.32 -0.12 -4.80 115.64 114.43 1qe3 s THR 16 Ca 0.00 -1.66 0.03 0.00 -1.21 0.00 0.00 61.69 58.85 1qe3 s THR 16 Cb 0.00 -2.26 0.01 0.00 -1.51 0.00 0.00 72.50 68.74 1qe3 s THR 16 CO 0.00 -0.06 -0.19 -0.89 -2.21 0.00 0.00 174.62 171.27 1qe3 s THR 17 N -4.07 1.69 -0.13 5.08 2.01 -1.26 0.17 115.64 119.13 1qe3 s THR 17 Ca 0.28 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 1qe3 s THR 17 Cb 0.03 -1.50 0.05 0.00 0.01 0.00 0.00 72.50 71.09 1qe3 s THR 17 CO 0.09 0.48 0.32 -1.83 -0.69 0.00 0.00 174.62 172.99 1qe3 s GLU 18 N 0.65 0.31 -1.51 4.92 -1.05 -0.45 -4.92 118.70 116.66 1qe3 s GLU 18 Ca -0.13 0.62 -0.09 0.00 -0.15 0.00 0.00 54.97 55.22 1qe3 s GLU 18 Cb -0.16 -0.03 0.07 0.00 -0.44 0.00 0.00 34.13 33.56 1qe3 s GLU 18 CO 0.03 -0.14 0.72 -1.71 0.95 0.00 0.00 175.26 175.12 1qe3 n ASN 19 N 4.02 -2.53 -0.23 0.83 5.15 -1.26 -1.74 115.26 119.50 1qe3 n ASN 19 Ca -0.22 -0.91 -0.03 0.00 -0.60 0.00 0.00 54.58 52.81 1qe3 n ASN 19 Cb 0.55 -3.37 -0.01 0.00 -0.53 0.00 0.00 39.78 36.41 1qe3 n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qe3 n GLY 20 N -1.68 0.62 2.90 8.20 0.00 -1.26 -5.03 105.19 108.94 1qe3 n GLY 20 Ca -0.11 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 1qe3 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qe3 s VAL 21 N -2.04 0.60 0.07 1.61 1.01 -0.71 -0.88 120.40 120.07 1qe3 s VAL 21 Ca 0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 1qe3 s VAL 21 Cb 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 1qe3 s VAL 21 CO 0.00 0.24 0.76 -1.00 0.00 0.00 0.00 175.10 175.10 1qe3 s HIS 22 N 0.94 3.78 -0.02 5.22 3.76 0.23 -1.34 115.29 127.85 1qe3 s HIS 22 Ca -0.11 1.50 0.02 0.00 -0.15 0.00 0.00 55.06 56.33 1qe3 s HIS 22 Cb -0.14 -2.79 0.01 0.00 1.11 0.00 0.00 32.58 30.76 1qe3 s HIS 22 CO 0.00 0.34 -0.07 0.15 -0.85 0.00 0.00 174.74 174.31 1qe3 s LYS 23 N -0.36 0.80 -0.10 1.40 1.02 0.13 -1.04 119.74 121.59 1qe3 s LYS 23 Ca 0.37 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.13 1qe3 s LYS 23 Cb -0.21 -0.77 0.02 0.00 -0.52 0.00 0.00 37.83 36.35 1qe3 s LYS 23 CO 0.24 0.08 -0.08 -1.58 -0.92 0.00 0.00 175.35 173.09 1qe3 s TRP 24 N 0.25 1.41 0.04 3.18 0.51 -0.42 -0.95 118.94 122.97 1qe3 s TRP 24 Ca -0.03 -0.66 0.08 0.00 -2.12 0.00 0.00 56.10 53.37 1qe3 s TRP 24 Cb -0.08 -1.16 -0.03 0.00 -0.81 0.00 0.00 33.47 31.39 1qe3 s TRP 24 CO 0.00 -0.45 -0.23 0.15 -0.51 0.00 0.00 176.95 175.91 1qe3 s LYS 25 N 1.52 1.53 -0.46 4.98 1.02 0.20 -0.16 119.74 128.39 1qe3 s LYS 25 Ca 0.01 -1.00 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 1qe3 s LYS 25 Cb -0.13 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 1qe3 s LYS 25 CO -0.06 0.43 0.27 0.41 -0.92 0.00 0.00 175.35 175.48 1qe3 n GLY 26 N 1.83 0.38 3.66 -3.33 0.00 -1.20 -3.73 105.19 102.81 1qe3 n GLY 26 Ca -0.17 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1qe3 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qe3 s ILE 27 N -2.88 4.90 0.21 -0.61 1.01 -0.65 -4.81 121.20 118.37 1qe3 s ILE 27 Ca 0.13 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 1qe3 s ILE 27 Cb -0.06 -4.09 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 1qe3 s ILE 27 CO 0.16 0.02 1.29 -2.84 0.00 0.00 0.00 174.94 173.57 1qe3 s PRO 28 N 2.28 4.40 0.00 2.79 0.02 -1.26 -0.80 135.00 142.43 1qe3 s PRO 28 Ca 0.35 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.42 1qe3 s PRO 28 Cb -0.16 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1qe3 s PRO 28 CO 0.11 -0.22 0.43 2.48 -0.33 0.00 0.00 177.00 179.47 1qe3 n TYR 29 N 2.42 0.00 -3.48 6.54 4.11 -1.02 -4.89 117.16 120.83 1qe3 n TYR 29 Ca 0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.84 1qe3 n TYR 29 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.74 1qe3 n TYR 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1qe3 s ALA 30 N -0.25 -1.46 0.29 -3.48 0.00 -1.26 -4.59 121.76 111.02 1qe3 s ALA 30 Ca 0.01 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1qe3 s ALA 30 Cb 0.01 0.86 -0.10 0.00 0.00 0.00 0.00 23.12 23.88 1qe3 s ALA 30 CO 0.01 -0.77 1.32 0.21 0.00 0.00 0.00 175.76 176.54 1qe3 s LYS 31 N -3.77 4.36 -0.12 0.00 2.20 1.00 -4.38 119.74 119.03 1qe3 s LYS 31 Ca 0.02 2.18 -0.36 0.00 -0.36 0.00 0.00 55.97 57.45 1qe3 s LYS 31 Cb -0.01 -3.10 -0.13 0.00 -1.51 0.00 0.00 37.83 33.07 1qe3 s LYS 31 CO -0.12 -0.22 1.78 -2.30 -0.36 0.00 0.00 175.35 174.14 1qe3 n PRO 32 N 1.40 1.78 -1.04 4.03 -0.02 -1.26 -4.68 135.00 135.21 1qe3 n PRO 32 Ca 0.02 0.65 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 1qe3 n PRO 32 Cb 0.42 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1qe3 n PRO 32 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qe3 n PRO 33 N 5.68 2.88 -4.30 0.52 -0.04 -1.26 -4.85 135.00 133.63 1qe3 n PRO 33 Ca 0.23 -1.84 -0.23 0.00 -0.04 0.00 0.00 63.50 61.62 1qe3 n PRO 33 Cb 0.23 -2.64 -0.08 0.00 -0.04 0.00 0.00 33.50 30.98 1qe3 n PRO 33 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1qe3 s VAL 34 N 2.83 3.20 0.00 0.52 0.11 -1.26 -3.77 120.40 122.02 1qe3 s VAL 34 Ca 0.55 -1.96 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1qe3 s VAL 34 Cb 0.14 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 32.20 1qe3 s VAL 34 CO -0.05 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 171.99 1qe3 n GLY 35 N -0.89 4.07 0.14 6.54 0.00 -1.26 -1.38 105.19 112.40 1qe3 n GLY 35 Ca -0.06 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1qe3 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qe3 n GLN 36 N 14.00 0.18 0.00 1.61 10.64 -1.26 -2.00 117.38 140.55 1qe3 n GLN 36 Ca 0.00 0.47 0.13 0.00 -1.83 0.00 0.00 57.00 55.77 1qe3 n GLN 36 Cb 0.00 -1.89 0.37 0.00 -0.86 0.00 0.00 30.24 27.86 1qe3 n GLN 36 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1qe3 n TRP 37 N -2.25 0.00 -2.18 2.61 7.02 -0.48 -4.81 117.44 117.36 1qe3 n TRP 37 Ca 0.01 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.10 1qe3 n TRP 37 Cb 0.19 -0.08 -0.02 0.00 -2.42 0.00 0.00 31.31 28.99 1qe3 n TRP 37 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1qe3 s ARG 38 N -2.35 4.11 -0.66 -0.99 3.52 -0.85 -2.62 118.95 119.12 1qe3 s ARG 38 Ca 0.28 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 1qe3 s ARG 38 Cb 0.20 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1qe3 s ARG 38 CO 0.47 -0.33 0.00 1.19 -0.81 0.00 0.00 175.30 175.82 1qe3 n PHE 39 N 0.31 0.00 -4.40 5.12 3.72 -1.26 -4.99 117.46 115.95 1qe3 n PHE 39 Ca 0.03 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.17 1qe3 n PHE 39 Cb 0.44 -1.85 -0.12 0.00 -0.94 0.00 0.00 39.48 37.02 1qe3 n PHE 39 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1qe3 s LYS 40 N -2.15 1.46 0.60 -1.08 1.02 -1.08 -2.39 119.74 116.12 1qe3 s LYS 40 Ca 0.00 -1.49 -0.18 0.00 0.02 0.00 0.00 55.97 54.32 1qe3 s LYS 40 Cb 0.00 -1.75 -0.06 0.00 -0.52 0.00 0.00 37.83 35.50 1qe3 s LYS 40 CO 0.00 0.38 0.87 0.00 -0.92 0.00 0.00 175.35 175.68 1qe3 n ALA 41 N 0.32 -0.11 -1.78 5.17 0.00 -1.26 -4.88 120.51 117.98 1qe3 n ALA 41 Ca -0.13 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1qe3 n ALA 41 Cb 0.56 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.95 1qe3 n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qe3 s PRO 42 N -2.62 4.14 0.28 0.00 0.04 -1.26 -5.02 135.00 130.56 1qe3 s PRO 42 Ca 0.74 2.54 0.10 0.00 0.04 0.00 0.00 61.00 64.42 1qe3 s PRO 42 Cb -0.42 -3.01 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1qe3 s PRO 42 CO 0.48 -0.56 -0.00 -1.21 0.04 0.00 0.00 177.00 175.75 1qe3 s GLU 43 N -1.13 2.22 0.42 4.56 0.41 -1.26 -4.99 118.70 118.92 1qe3 s GLU 43 Ca 0.58 -1.50 -0.25 0.00 -0.41 0.00 0.00 54.97 53.39 1qe3 s GLU 43 Cb -0.46 -2.10 -0.08 0.00 -1.78 0.00 0.00 34.13 29.70 1qe3 s GLU 43 CO 0.53 0.31 1.26 -2.14 -0.49 0.00 0.00 175.26 174.73 1qe3 s PRO 44 N -3.68 3.92 0.69 0.39 0.02 -1.26 -0.00 135.00 135.08 1qe3 s PRO 44 Ca 0.32 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 63.27 1qe3 s PRO 44 Cb -0.05 -2.67 0.01 0.00 0.02 0.00 0.00 34.50 31.80 1qe3 s PRO 44 CO 0.20 -0.49 1.06 -1.25 -0.33 0.00 0.00 177.00 176.18 1qe3 s PRO 45 N -2.34 2.95 0.31 5.54 0.04 -1.26 -3.86 135.00 136.39 1qe3 s PRO 45 Ca 0.58 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 1qe3 s PRO 45 Cb -0.35 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 1qe3 s PRO 45 CO 0.45 -1.07 1.25 -1.21 0.04 0.00 0.00 177.00 176.46 1qe3 s GLU 46 N -5.08 4.44 0.61 4.56 0.41 -1.26 -4.87 118.70 117.50 1qe3 s GLU 46 Ca 0.58 2.09 -0.17 0.00 -0.41 0.00 0.00 54.97 57.06 1qe3 s GLU 46 Cb -0.14 -3.11 -0.02 0.00 -1.78 0.00 0.00 34.13 29.08 1qe3 s GLU 46 CO 0.55 -0.07 1.12 0.14 -0.49 0.00 0.00 175.26 176.51 1qe3 s VAL 47 N -1.11 3.16 0.08 2.63 -7.23 -1.26 -5.00 120.40 111.68 1qe3 s VAL 47 Ca 0.48 0.62 0.08 0.00 -1.81 0.00 0.00 61.98 61.35 1qe3 s VAL 47 Cb -0.37 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 1qe3 s VAL 47 CO 0.49 -0.26 -0.20 -1.66 -0.31 0.00 0.00 175.10 173.17 1qe3 s TRP 48 N -2.06 1.71 -0.49 2.82 -2.14 -0.32 -5.04 118.94 113.42 1qe3 s TRP 48 Ca 0.70 -0.41 0.22 0.00 2.66 0.00 0.00 56.10 59.27 1qe3 s TRP 48 Cb -0.22 -0.96 -0.22 0.00 -3.10 0.00 0.00 33.47 28.97 1qe3 s TRP 48 CO 0.35 0.16 0.75 0.39 -2.66 0.00 0.00 176.95 175.94 1qe3 n GLU 49 N 1.29 0.35 -0.43 3.25 -0.58 -1.26 -4.39 120.64 118.88 1qe3 n GLU 49 Ca -0.19 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1qe3 n GLU 49 Cb 0.54 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1qe3 n GLU 49 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1qe3 n ASP 50 N -1.94 0.00 -4.33 1.62 5.75 -1.26 -4.91 116.55 111.48 1qe3 n ASP 50 Ca 0.00 -0.63 -0.37 0.00 -0.01 0.00 0.00 54.79 53.78 1qe3 n ASP 50 Cb 0.46 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.42 1qe3 n ASP 50 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1qe3 s VAL 51 N 0.72 3.86 -0.05 2.12 1.01 -1.26 -3.96 120.40 122.84 1qe3 s VAL 51 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1qe3 s VAL 51 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1qe3 s VAL 51 CO 0.00 0.11 1.20 -0.22 0.00 0.00 0.00 175.10 176.19 1qe3 s LEU 52 N 1.49 4.29 -0.95 3.92 2.96 -0.42 -4.85 118.68 125.12 1qe3 s LEU 52 Ca 0.03 1.83 -0.24 0.00 -0.22 0.00 0.00 54.13 55.53 1qe3 s LEU 52 Cb -0.17 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 42.98 1qe3 s LEU 52 CO 0.02 -0.58 1.60 -0.62 -1.32 0.00 0.00 176.35 175.45 1qe3 s ASP 53 N 1.46 6.01 -1.36 3.68 3.68 -1.26 -0.12 116.67 128.76 1qe3 s ASP 53 Ca 0.56 -1.07 -0.07 0.00 2.13 0.00 0.00 52.55 54.10 1qe3 s ASP 53 Cb -0.25 -2.56 0.10 0.00 -1.45 0.00 0.00 42.92 38.76 1qe3 s ASP 53 CO 0.23 -1.94 2.32 0.00 0.13 0.00 0.00 175.17 175.90 1qe3 n ALA 54 N 10.62 6.48 -0.30 3.66 0.00 -0.14 -4.41 120.51 136.41 1qe3 n ALA 54 Ca 0.32 -4.06 0.01 0.00 0.00 0.00 0.00 53.44 49.71 1qe3 n ALA 54 Cb 0.50 -2.94 0.02 0.00 0.00 0.00 0.00 19.45 17.02 1qe3 n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qe3 n THR 55 N 2.55 1.01 -3.83 0.00 -2.24 -1.24 -0.62 114.28 109.91 1qe3 n THR 55 Ca 0.58 -1.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 1qe3 n THR 55 Cb 0.28 0.44 -0.13 0.00 -2.10 0.00 0.00 70.33 68.82 1qe3 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qe3 s ALA 56 N -1.16 -0.19 0.52 6.98 0.00 -1.25 -4.87 121.76 121.78 1qe3 s ALA 56 Ca 0.05 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.05 1qe3 s ALA 56 Cb 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 1qe3 s ALA 56 CO 0.00 -0.05 1.31 0.71 0.00 0.00 0.00 175.76 177.73 1qe3 s TYR 57 N 0.19 2.46 0.92 0.00 2.02 -1.26 -3.32 117.35 118.36 1qe3 s TYR 57 Ca -0.01 1.41 -0.14 0.00 -0.37 0.00 0.00 57.07 57.96 1qe3 s TYR 57 Cb -0.02 -3.69 0.18 0.00 -0.40 0.00 0.00 41.96 38.03 1qe3 s TYR 57 CO -0.01 -2.50 1.28 0.20 -1.57 0.00 0.00 175.55 172.95 1qe3 s GLY 58 N -1.04 1.75 0.76 0.71 0.00 -1.26 -4.85 107.32 103.39 1qe3 s GLY 58 Ca 0.69 -1.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.11 1qe3 s GLY 58 CO 0.44 -0.45 1.16 -4.14 0.00 0.00 0.00 173.10 170.11 1qe3 s PRO 59 N -5.79 2.07 0.27 2.90 0.02 -1.26 -4.93 135.00 128.28 1qe3 s PRO 59 Ca 0.72 1.55 0.05 0.00 0.02 0.00 0.00 61.00 63.34 1qe3 s PRO 59 Cb -0.05 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 1qe3 s PRO 59 CO 0.52 -1.84 0.40 0.96 -0.33 0.00 0.00 177.00 176.70 1qe3 s ILE 60 N -2.33 4.95 0.30 2.83 -4.36 -0.39 -4.42 121.20 117.78 1qe3 s ILE 60 Ca 0.69 -0.96 -0.29 0.00 -0.26 0.00 0.00 60.65 59.83 1qe3 s ILE 60 Cb -0.24 -3.75 -0.10 0.00 1.25 0.00 0.00 42.46 39.62 1qe3 s ILE 60 CO 0.49 -0.30 1.38 0.00 0.24 0.00 0.00 174.94 176.75 1qe3 n PRO 62 N 1.38 1.59 -3.46 0.00 -0.02 -1.26 -4.78 135.00 128.45 1qe3 n PRO 62 Ca 0.03 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 61.96 1qe3 n PRO 62 Cb 0.41 -2.14 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1qe3 n PRO 62 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1qe3 s GLN 63 N -0.39 1.09 0.50 -0.52 -2.07 -1.26 -4.85 119.66 112.15 1qe3 s GLN 63 Ca 0.71 -0.35 -0.24 0.00 -1.82 0.00 0.00 55.36 53.66 1qe3 s GLN 63 Cb -0.75 0.50 -0.07 0.00 -1.09 0.00 0.00 33.01 31.60 1qe3 s GLN 63 CO 0.51 -0.47 1.39 -2.30 -1.32 0.00 0.00 175.29 173.10 1qe3 n PRO 64 N -0.23 1.97 -1.52 9.60 -0.02 -1.26 -5.13 135.00 138.40 1qe3 n PRO 64 Ca -0.14 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1qe3 n PRO 64 Cb 0.63 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1qe3 n PRO 64 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qe3 n SER 65 N -0.57 1.91 -0.02 2.55 2.88 -1.26 -5.02 113.62 114.09 1qe3 n SER 65 Ca 0.08 -0.78 0.07 0.00 -1.33 0.00 0.00 58.87 56.91 1qe3 n SER 65 Cb 0.43 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.75 1qe3 n SER 65 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qe3 n LEU 75 N 0.00 0.00 -4.76 2.46 -0.00 -1.26 -5.32 117.00 108.12 1qe3 n LEU 75 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.64 1qe3 n LEU 75 Cb 0.00 0.04 0.02 0.00 -0.00 0.00 0.00 43.42 43.48 1qe3 n LEU 75 CO 0.00 0.04 0.90 -2.16 -0.00 0.00 0.00 177.39 176.17 1qe3 s PRO 76 N -3.14 3.38 0.44 1.47 0.04 -1.26 -4.96 135.00 130.98 1qe3 s PRO 76 Ca -0.07 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 1qe3 s PRO 76 Cb 0.11 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1qe3 s PRO 76 CO 0.73 -0.92 1.29 0.50 0.04 0.00 0.00 177.00 178.64 1qe3 s ARG 77 N -2.88 3.76 0.04 4.56 3.52 -1.26 -4.89 118.95 121.80 1qe3 s ARG 77 Ca 0.69 2.11 0.07 0.00 -0.13 0.00 0.00 55.73 58.47 1qe3 s ARG 77 Cb -0.34 -2.59 -0.03 0.00 -1.56 0.00 0.00 34.95 30.43 1qe3 s ARG 77 CO 0.40 -0.65 -0.19 -0.65 -0.81 0.00 0.00 175.30 173.40 1qe3 s GLN 78 N -2.47 2.05 -0.24 5.12 -0.21 -1.26 -1.27 119.66 121.39 1qe3 s GLN 78 Ca 0.61 -0.99 -0.28 0.00 0.02 0.00 0.00 55.36 54.72 1qe3 s GLN 78 Cb -0.37 -2.17 0.16 0.00 1.00 0.00 0.00 33.01 31.62 1qe3 s GLN 78 CO 0.46 0.54 1.19 0.45 -2.12 0.00 0.00 175.29 175.81 1qe3 s SER 79 N -1.44 -0.23 0.62 5.90 0.15 -0.37 -4.87 113.70 113.47 1qe3 s SER 79 Ca 0.14 0.32 0.38 0.00 0.70 0.00 0.00 55.95 57.49 1qe3 s SER 79 Cb -0.10 0.28 2.03 0.00 -1.71 0.00 0.00 66.02 66.52 1qe3 s SER 79 CO 0.05 -0.16 2.26 -0.33 1.20 0.00 0.00 173.24 176.26 1qe3 h GLU 80 N 2.76 0.00 -5.80 5.44 5.08 -1.94 -3.23 114.58 116.89 1qe3 h GLU 80 Ca -0.18 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.51 1qe3 h GLU 80 Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.33 1qe3 h GLU 80 CO 0.23 0.02 1.93 0.34 -1.00 0.00 0.00 179.01 180.53 1qe3 s ASP 81 N -5.60 6.78 0.00 1.42 -1.08 -1.26 -4.27 116.67 112.66 1qe3 s ASP 81 Ca -0.04 -2.26 0.00 0.00 -0.52 0.00 0.00 52.55 49.73 1qe3 s ASP 81 Cb 0.13 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1qe3 s ASP 81 CO 0.48 -1.21 0.46 0.00 0.52 0.00 0.00 175.17 175.43 1qe3 s LEU 83 N -0.18 4.03 0.07 0.00 1.43 -1.26 -4.54 118.68 118.23 1qe3 s LEU 83 Ca 0.00 -2.13 0.05 0.00 -1.03 0.00 0.00 54.13 51.01 1qe3 s LEU 83 Cb 0.00 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1qe3 s LEU 83 CO 0.00 -1.22 -0.13 -0.31 0.23 0.00 0.00 176.35 174.93 1qe3 s TYR 84 N 3.95 1.12 0.21 0.29 1.51 -1.26 -2.43 117.35 120.73 1qe3 s TYR 84 Ca 0.47 -0.49 0.10 0.00 -1.01 0.00 0.00 57.07 56.14 1qe3 s TYR 84 Cb 0.01 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1qe3 s TYR 84 CO -0.01 0.03 -0.16 0.14 -1.11 0.00 0.00 175.55 174.44 1qe3 s VAL 85 N -1.48 2.78 -0.00 0.71 -7.23 0.02 -2.31 120.40 112.89 1qe3 s VAL 85 Ca -0.02 -1.96 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 1qe3 s VAL 85 Cb -0.09 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 1qe3 s VAL 85 CO 0.02 -0.19 -0.14 0.20 -0.31 0.00 0.00 175.10 174.68 1qe3 s ASN 86 N -2.97 1.65 -0.08 4.85 0.01 0.29 -1.63 114.94 117.05 1qe3 s ASN 86 Ca 0.25 -0.28 0.04 0.00 -0.71 0.00 0.00 52.86 52.15 1qe3 s ASN 86 Cb -0.08 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.42 1qe3 s ASN 86 CO 0.14 0.15 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.99 1qe3 s VAL 87 N -0.40 1.72 -0.15 1.60 1.01 0.78 -1.36 120.40 123.59 1qe3 s VAL 87 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1qe3 s VAL 87 Cb -0.06 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1qe3 s VAL 87 CO -0.00 0.49 -0.19 -0.36 0.00 0.00 0.00 175.10 175.03 1qe3 s PHE 88 N 0.35 2.56 0.01 5.22 0.40 0.30 -1.29 117.98 125.53 1qe3 s PHE 88 Ca -0.15 -1.40 0.03 0.00 -0.60 0.00 0.00 56.93 54.81 1qe3 s PHE 88 Cb -0.16 -1.78 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 1qe3 s PHE 88 CO 0.06 -0.69 -0.10 0.00 0.70 0.00 0.00 175.22 175.20 1qe3 s ALA 89 N 1.13 0.81 0.34 5.36 0.00 -0.21 -0.70 121.76 128.49 1qe3 s ALA 89 Ca -0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 1qe3 s ALA 89 Cb -0.14 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.72 1qe3 s ALA 89 CO -0.08 0.17 1.18 -1.25 0.00 0.00 0.00 175.76 175.78 1qe3 s PRO 90 N -0.55 4.36 -1.17 0.00 0.04 -1.26 0.74 135.00 137.16 1qe3 s PRO 90 Ca 0.02 1.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 1qe3 s PRO 90 Cb -0.05 -2.97 0.11 0.00 0.04 0.00 0.00 34.50 31.63 1qe3 s PRO 90 CO 0.00 -0.08 1.49 0.34 0.04 0.00 0.00 177.00 178.80 1qe3 s ASP 91 N -0.87 6.85 0.04 6.66 2.15 -0.06 -4.74 116.67 126.70 1qe3 s ASP 91 Ca 0.50 -2.45 -0.04 0.00 0.43 0.00 0.00 52.55 51.00 1qe3 s ASP 91 Cb -0.33 -2.49 -0.02 0.00 -0.30 0.00 0.00 42.92 39.78 1qe3 s ASP 91 CO 0.43 -1.05 0.05 -0.89 -0.17 0.00 0.00 175.17 173.54 1qe3 s THR 92 N 3.12 0.16 -0.61 1.71 2.01 -1.26 -4.95 115.64 115.82 1qe3 s THR 92 Ca 0.45 -1.31 0.20 0.00 0.31 0.00 0.00 61.69 61.35 1qe3 s THR 92 Cb -0.00 -1.05 0.20 0.00 0.01 0.00 0.00 72.50 71.66 1qe3 s THR 92 CO -0.00 -0.72 1.62 -2.65 -0.69 0.00 0.00 174.62 172.18 1qe3 n PRO 93 N 0.59 0.13 -1.80 4.92 -0.02 -1.26 -4.81 135.00 132.76 1qe3 n PRO 93 Ca -0.18 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1qe3 n PRO 93 Cb 0.59 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 1qe3 n PRO 93 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1qe3 s SER 94 N -3.87 6.43 0.45 2.55 0.01 -1.26 -5.02 113.70 112.99 1qe3 s SER 94 Ca 0.04 2.83 0.07 0.00 1.31 0.00 0.00 55.95 60.20 1qe3 s SER 94 Cb 0.09 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1qe3 s SER 94 CO 0.33 -0.91 0.29 -1.10 0.41 0.00 0.00 173.24 172.26 1qe3 s GLN 95 N 0.64 2.32 -1.21 12.44 -1.52 -1.26 -4.79 119.66 126.28 1qe3 s GLN 95 Ca 0.70 -1.82 -0.19 0.00 -1.95 0.00 0.00 55.36 52.11 1qe3 s GLN 95 Cb -0.48 -2.11 0.00 0.00 -0.22 0.00 0.00 33.01 30.20 1qe3 s GLN 95 CO 0.37 -0.27 0.70 -1.71 -0.25 0.00 0.00 175.29 174.12 1qe3 n ASN 96 N -1.46 -4.08 -4.85 5.90 2.85 -1.09 -4.95 115.26 107.59 1qe3 n ASN 96 Ca -0.00 -1.06 -0.32 0.00 -0.11 0.00 0.00 54.58 53.09 1qe3 n ASN 96 Cb 0.64 -3.06 -0.05 0.00 1.24 0.00 0.00 39.78 38.55 1qe3 n ASN 96 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1qe3 s LEU 97 N -6.73 3.86 0.60 1.20 1.43 -0.62 -4.36 118.68 114.06 1qe3 s LEU 97 Ca 0.38 1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 54.72 1qe3 s LEU 97 Cb -0.15 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.74 1qe3 s LEU 97 CO 0.88 -0.40 1.26 -2.84 0.23 0.00 0.00 176.35 175.48 1qe3 s PRO 98 N -3.53 2.88 -0.11 1.29 0.02 -1.26 -0.16 135.00 134.13 1qe3 s PRO 98 Ca 0.57 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.58 1qe3 s PRO 98 Cb -0.10 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1qe3 s PRO 98 CO 0.23 -1.31 -0.22 0.08 -0.33 0.00 0.00 177.00 175.45 1qe3 s VAL 99 N -1.48 1.95 -0.23 3.83 1.01 -0.77 -1.13 120.40 123.58 1qe3 s VAL 99 Ca 0.78 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1qe3 s VAL 99 Cb -0.34 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.34 1qe3 s VAL 99 CO 0.37 0.53 -0.06 -0.04 0.00 0.00 0.00 175.10 175.91 1qe3 s MET 100 N 0.50 3.13 -0.26 2.72 -1.94 0.85 -0.27 119.30 124.02 1qe3 s MET 100 Ca -0.16 -0.78 -0.08 0.00 -1.71 0.00 0.00 55.69 52.96 1qe3 s MET 100 Cb -0.17 -2.98 -0.03 0.00 2.01 0.00 0.00 34.83 33.67 1qe3 s MET 100 CO 0.06 -0.29 0.09 0.08 -0.01 0.00 0.00 175.02 174.95 1qe3 s VAL 101 N 1.41 4.43 -0.11 -6.03 1.01 0.62 -0.93 120.40 120.80 1qe3 s VAL 101 Ca 0.04 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1qe3 s VAL 101 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1qe3 s VAL 101 CO -0.04 0.29 0.44 0.86 0.00 0.00 0.00 175.10 176.64 1qe3 s TRP 102 N 1.62 3.54 -0.28 5.22 -0.11 0.29 -0.59 118.94 128.63 1qe3 s TRP 102 Ca 0.06 0.86 0.02 0.00 1.22 0.00 0.00 56.10 58.27 1qe3 s TRP 102 Cb -0.15 -2.48 0.07 0.00 -1.50 0.00 0.00 33.47 29.40 1qe3 s TRP 102 CO 0.05 0.25 -0.06 0.42 -4.62 0.00 0.00 176.95 172.99 1qe3 s ILE 103 N 0.34 2.33 0.73 5.86 1.01 -0.07 -3.96 121.20 127.43 1qe3 s ILE 103 Ca 0.24 -1.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.03 1qe3 s ILE 103 Cb -0.15 -2.43 0.04 0.00 0.01 0.00 0.00 42.46 39.92 1qe3 s ILE 103 CO 0.10 -0.15 1.11 -1.38 0.00 0.00 0.00 174.94 174.61 1qe3 s HIS 104 N 1.09 2.50 0.00 3.97 -3.43 -1.26 -3.30 115.29 114.86 1qe3 s HIS 104 Ca -0.05 1.57 0.00 0.00 -0.80 0.00 0.00 55.06 55.79 1qe3 s HIS 104 Cb -0.20 -3.15 0.00 0.00 -1.43 0.00 0.00 32.58 27.80 1qe3 s HIS 104 CO -0.05 -1.87 0.00 0.41 -2.00 0.00 0.00 174.74 171.23 1qe3 n GLY 105 N -0.71 1.72 0.00 -1.38 0.00 -1.15 -3.30 105.19 100.37 1qe3 n GLY 105 Ca 0.10 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1qe3 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qe3 n GLY 106 N 5.00 0.57 2.23 -0.02 0.00 -1.26 -4.39 105.19 107.33 1qe3 n GLY 106 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1qe3 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe3 n ALA 107 N 0.00 -0.54 -1.05 4.61 0.00 -1.26 -1.08 120.51 121.18 1qe3 n ALA 107 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1qe3 n ALA 107 Cb 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.05 1qe3 n ALA 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qe3 n PHE 108 N -2.73 0.00 -0.91 0.00 3.72 -1.26 -4.60 117.46 111.68 1qe3 n PHE 108 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1qe3 n PHE 108 Cb 0.52 -1.18 0.00 0.00 -0.94 0.00 0.00 39.48 37.88 1qe3 n PHE 108 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1qe3 n TYR 109 N -2.52 0.00 -4.24 1.38 4.11 -0.75 -0.39 117.16 114.75 1qe3 n TYR 109 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.75 1qe3 n TYR 109 Cb 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.51 1qe3 n TYR 109 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1qe3 s LEU 110 N 0.00 2.53 0.00 -3.48 1.43 -0.25 -4.55 118.68 114.36 1qe3 s LEU 110 Ca 0.00 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1qe3 s LEU 110 Cb 0.00 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.91 1qe3 s LEU 110 CO 0.00 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1qe3 n GLY 111 N -0.17 1.29 3.57 -3.19 0.00 -1.26 -4.11 105.19 101.33 1qe3 n GLY 111 Ca -0.11 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.72 1qe3 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe3 s ALA 112 N -1.68 -1.90 -0.37 4.61 0.00 -1.26 -4.67 121.76 116.48 1qe3 s ALA 112 Ca 0.00 1.52 0.27 0.00 0.00 0.00 0.00 51.96 53.75 1qe3 s ALA 112 Cb 0.00 -0.55 1.00 0.00 0.00 0.00 0.00 23.12 23.57 1qe3 s ALA 112 CO 0.00 -0.33 1.78 0.78 0.00 0.00 0.00 175.76 177.99 1qe3 h GLY 113 N 2.60 0.00 -1.53 0.00 0.00 -1.87 -2.99 103.07 99.29 1qe3 h GLY 113 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1qe3 h GLY 113 CO 0.32 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.72 1qe3 n SER 114 N -2.52 2.25 -4.76 0.19 3.41 -1.26 -4.58 113.62 106.35 1qe3 n SER 114 Ca 0.02 -1.98 -0.38 0.00 -0.26 0.00 0.00 58.87 56.27 1qe3 n SER 114 Cb 0.31 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1qe3 n SER 114 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1qe3 s GLU 115 N -1.46 3.58 0.36 4.33 2.02 -1.13 -4.89 118.70 121.52 1qe3 s GLU 115 Ca 0.29 2.08 0.13 0.00 0.02 0.00 0.00 54.97 57.48 1qe3 s GLU 115 Cb 0.15 -2.46 0.95 0.00 0.10 0.00 0.00 34.13 32.87 1qe3 s GLU 115 CO 0.20 -0.78 1.80 -1.35 0.02 0.00 0.00 175.26 175.14 1qe3 h PRO 116 N 2.01 0.53 -0.19 0.39 0.11 -1.93 -0.68 132.00 132.24 1qe3 h PRO 116 Ca -0.50 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.63 1qe3 h PRO 116 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1qe3 h PRO 116 CO 0.60 0.35 0.14 1.25 -0.21 0.00 0.00 178.00 180.13 1qe3 h LEU 117 N 0.55 0.00 -2.66 2.35 5.85 -1.94 -2.08 115.31 117.38 1qe3 h LEU 117 Ca 0.56 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1qe3 h LEU 117 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1qe3 h LEU 117 CO -0.30 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.58 1qe3 n TYR 118 N -4.43 1.18 -1.68 1.25 4.01 -0.26 -4.76 117.16 112.47 1qe3 n TYR 118 Ca 0.02 -0.50 -0.43 0.00 -0.16 0.00 0.00 57.90 56.83 1qe3 n TYR 118 Cb 0.28 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 1qe3 n TYR 118 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1qe3 n ASP 119 N 1.11 4.05 -0.78 7.72 -0.08 -0.78 -4.85 116.55 122.93 1qe3 n ASP 119 Ca 0.22 0.96 0.06 0.00 -1.51 0.00 0.00 54.79 54.52 1qe3 n ASP 119 Cb 0.72 -1.53 0.18 0.00 2.34 0.00 0.00 41.12 42.83 1qe3 n ASP 119 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qe3 n GLY 120 N 4.35 1.00 0.07 0.27 0.00 -1.26 -4.47 105.19 105.15 1qe3 n GLY 120 Ca 0.19 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1qe3 n GLY 120 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qe3 h SER 121 N 2.27 0.12 -0.59 1.61 0.02 -1.92 -0.69 113.55 114.36 1qe3 h SER 121 Ca 0.00 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1qe3 h SER 121 Cb 0.61 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1qe3 h SER 121 CO 0.03 0.08 0.15 0.11 -1.14 0.00 0.00 176.83 176.06 1qe3 h LYS 122 N 0.14 0.94 -0.48 3.45 1.57 -1.82 -1.35 116.57 119.02 1qe3 h LYS 122 Ca 0.04 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1qe3 h LYS 122 Cb -0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1qe3 h LYS 122 CO -0.01 0.86 0.10 1.25 -0.57 0.00 0.00 179.45 181.08 1qe3 h LEU 123 N 0.85 0.74 -0.13 2.94 5.85 -1.68 -0.67 115.31 123.22 1qe3 h LEU 123 Ca 0.19 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1qe3 h LEU 123 Cb 0.34 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1qe3 h LEU 123 CO 0.00 0.80 0.08 0.00 -0.34 0.00 0.00 178.44 178.98 1qe3 h ALA 124 N 0.97 0.16 -0.16 1.25 0.00 -0.94 -0.71 119.26 119.83 1qe3 h ALA 124 Ca 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1qe3 h ALA 124 Cb 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1qe3 h ALA 124 CO 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 179.25 178.91 1qe3 h ALA 125 N 1.00 0.22 -0.38 0.00 0.00 -1.17 0.54 119.26 119.48 1qe3 h ALA 125 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1qe3 h ALA 125 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1qe3 h ALA 125 CO -0.01 -0.03 -0.05 0.37 0.00 0.00 0.00 179.25 179.53 1qe3 h GLN 126 N 0.01 0.69 0.00 0.00 5.75 -1.12 -3.24 115.11 117.22 1qe3 h GLN 126 Ca 0.04 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1qe3 h GLN 126 Cb 0.45 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1qe3 h GLN 126 CO 0.01 0.82 -0.61 0.41 -2.65 0.00 0.00 178.83 176.81 1qe3 n GLY 127 N -0.26 -1.20 3.55 2.39 0.00 -0.28 -4.96 105.19 104.43 1qe3 n GLY 127 Ca -0.01 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 1qe3 n GLY 127 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qe3 n GLU 128 N -1.52 -4.98 -4.27 1.61 2.13 0.16 -5.01 120.64 108.77 1qe3 n GLU 128 Ca 0.05 0.72 -0.15 0.00 0.66 0.00 0.00 57.16 58.44 1qe3 n GLU 128 Cb 0.34 -5.44 -0.10 0.00 0.27 0.00 0.00 31.44 26.51 1qe3 n GLU 128 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1qe3 s VAL 129 N -3.52 0.94 -0.12 6.31 -7.23 -1.09 -4.64 120.40 111.05 1qe3 s VAL 129 Ca 0.08 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 1qe3 s VAL 129 Cb -0.02 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.79 1qe3 s VAL 129 CO 0.78 -0.53 0.23 -0.63 -0.31 0.00 0.00 175.10 174.64 1qe3 s ILE 130 N -3.48 5.34 -0.12 -0.62 1.01 -0.29 -4.27 121.20 118.77 1qe3 s ILE 130 Ca 0.23 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.31 1qe3 s ILE 130 Cb 0.05 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 1qe3 s ILE 130 CO 0.04 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.64 1qe3 s VAL 131 N -0.38 2.71 -0.12 2.92 1.01 0.12 -0.11 120.40 126.56 1qe3 s VAL 131 Ca 0.16 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1qe3 s VAL 131 Cb -0.13 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1qe3 s VAL 131 CO 0.05 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.79 1qe3 s VAL 132 N 0.41 2.34 0.28 2.92 1.01 -0.10 -0.53 120.40 126.72 1qe3 s VAL 132 Ca -0.13 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.06 1qe3 s VAL 132 Cb -0.16 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1qe3 s VAL 132 CO 0.06 0.54 -0.11 0.42 0.00 0.00 0.00 175.10 176.01 1qe3 s THR 133 N 0.50 2.89 0.21 3.92 -4.23 -0.46 -0.54 115.64 117.92 1qe3 s THR 133 Ca -0.13 -2.19 -0.22 0.00 -1.18 0.00 0.00 61.69 57.96 1qe3 s THR 133 Cb -0.17 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.18 1qe3 s THR 133 CO 0.05 -0.38 0.68 -1.48 -0.54 0.00 0.00 174.62 172.95 1qe3 s LEU 134 N -3.58 -0.40 0.11 4.79 0.05 -1.25 -0.55 118.68 117.84 1qe3 s LEU 134 Ca 0.31 -0.31 0.07 0.00 0.05 0.00 0.00 54.13 54.25 1qe3 s LEU 134 Cb -0.05 2.63 -0.04 0.00 -2.05 0.00 0.00 46.19 46.67 1qe3 s LEU 134 CO 0.17 -1.14 -0.10 0.20 -0.55 0.00 0.00 176.35 174.93 1qe3 s ASN 135 N -2.83 4.37 0.05 1.48 0.01 -0.98 -2.49 114.94 114.55 1qe3 s ASN 135 Ca 0.06 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.82 1qe3 s ASN 135 Cb -0.03 -0.82 -0.03 0.00 0.41 0.00 0.00 41.25 40.78 1qe3 s ASN 135 CO -0.03 0.18 -0.05 -0.72 -1.51 0.00 0.00 177.10 174.97 1qe3 s TYR 136 N -1.21 0.53 0.27 2.20 1.13 -1.26 -4.46 117.35 114.55 1qe3 s TYR 136 Ca 0.21 -0.71 -0.30 0.00 -1.41 0.00 0.00 57.07 54.86 1qe3 s TYR 136 Cb -0.11 -0.34 -0.12 0.00 -1.10 0.00 0.00 41.96 40.28 1qe3 s TYR 136 CO 0.14 -0.20 1.52 0.54 -2.51 0.00 0.00 175.55 175.04 1qe3 n ARG 137 N 0.96 2.43 -4.52 -3.49 1.74 -1.26 -4.85 116.66 107.68 1qe3 n ARG 137 Ca -0.20 0.87 -0.27 0.00 -0.77 0.00 0.00 57.85 57.48 1qe3 n ARG 137 Cb 0.57 -2.60 -0.10 0.00 -1.02 0.00 0.00 32.46 29.31 1qe3 n ARG 137 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qe3 s LEU 138 N -0.24 2.89 0.00 0.55 1.43 -1.26 -3.99 118.68 118.07 1qe3 s LEU 138 Ca 0.66 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1qe3 s LEU 138 Cb -0.56 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1qe3 s LEU 138 CO 0.49 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1qe3 n GLY 139 N -0.97 2.83 0.08 -3.19 0.00 0.47 -0.89 105.19 103.53 1qe3 n GLY 139 Ca -0.04 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1qe3 n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qe3 n PRO 140 N 14.00 0.11 -0.02 1.61 -0.04 -1.26 -0.14 135.00 149.26 1qe3 n PRO 140 Ca 0.00 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1qe3 n PRO 140 Cb 0.00 -1.74 -0.14 0.00 -0.04 0.00 0.00 33.50 31.58 1qe3 n PRO 140 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qe3 n PHE 141 N -1.96 0.99 0.03 0.54 3.01 -0.07 -4.33 117.46 115.67 1qe3 n PHE 141 Ca 0.02 0.32 0.02 0.00 1.01 0.00 0.00 57.45 58.82 1qe3 n PHE 141 Cb 0.17 -1.17 -0.03 0.00 -0.01 0.00 0.00 39.48 38.44 1qe3 n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qe3 n GLY 142 N 1.67 -0.03 1.48 1.37 0.00 -0.67 -4.67 105.19 104.33 1qe3 n GLY 142 Ca -0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 1qe3 n GLY 142 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qe3 n PHE 143 N -1.54 0.63 -3.78 1.61 3.01 0.80 -1.50 117.46 116.70 1qe3 n PHE 143 Ca -0.00 -1.37 -0.37 0.00 1.01 0.00 0.00 57.45 56.71 1qe3 n PHE 143 Cb 0.09 -0.23 -0.12 0.00 -0.01 0.00 0.00 39.48 39.21 1qe3 n PHE 143 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1qe3 s LEU 144 N -2.28 4.36 -0.58 4.37 2.96 -1.22 -4.49 118.68 121.80 1qe3 s LEU 144 Ca 0.37 -1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 52.81 1qe3 s LEU 144 Cb 0.38 -1.84 0.07 0.00 0.50 0.00 0.00 46.19 45.29 1qe3 s LEU 144 CO -0.08 -0.35 0.79 -1.00 -1.32 0.00 0.00 176.35 174.39 1qe3 s HIS 145 N 1.35 2.89 -0.94 5.38 3.76 -1.26 -4.86 115.29 121.61 1qe3 s HIS 145 Ca -0.01 -0.55 0.18 0.00 -0.15 0.00 0.00 55.06 54.52 1qe3 s HIS 145 Cb -0.20 -3.95 0.74 0.00 1.11 0.00 0.00 32.58 30.28 1qe3 s HIS 145 CO 0.01 -1.32 1.65 1.28 -0.85 0.00 0.00 174.74 175.52 1qe3 n LEU 146 N 6.84 4.94 -0.22 0.89 4.77 -1.26 -4.60 117.00 128.36 1qe3 n LEU 146 Ca -0.05 -2.55 0.13 0.00 -0.03 0.00 0.00 56.01 53.51 1qe3 n LEU 146 Cb 0.45 -0.60 0.43 0.00 -2.33 0.00 0.00 43.42 41.37 1qe3 n LEU 146 CO 0.59 0.78 1.22 0.77 -1.33 0.00 0.00 177.39 179.42 1qe3 h SER 147 N 4.02 0.54 0.34 -1.43 4.64 -1.81 0.06 113.55 119.91 1qe3 h SER 147 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1qe3 h SER 147 Cb 1.55 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1qe3 h SER 147 CO 0.28 0.28 0.00 0.77 -0.87 0.00 0.00 176.83 177.29 1qe3 h SER 148 N 0.58 0.00 0.02 4.97 4.64 -1.95 -2.87 113.55 118.94 1qe3 h SER 148 Ca 0.41 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.38 1qe3 h SER 148 Cb 0.75 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.77 1qe3 h SER 148 CO -0.16 0.00 -2.35 0.49 -0.87 0.00 0.00 176.83 173.94 1qe3 n PHE 149 N -2.42 0.04 -3.66 4.77 3.01 -0.01 -4.96 117.46 114.23 1qe3 n PHE 149 Ca -0.00 0.01 -0.06 0.00 1.01 0.00 0.00 57.45 58.41 1qe3 n PHE 149 Cb 0.13 -0.98 -0.07 0.00 -0.01 0.00 0.00 39.48 38.54 1qe3 n PHE 149 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1qe3 s ASP 150 N -5.47 -0.80 0.35 4.37 -1.08 -1.08 -5.01 116.67 107.95 1qe3 s ASP 150 Ca -0.10 1.33 0.25 0.00 -0.52 0.00 0.00 52.55 53.51 1qe3 s ASP 150 Cb 0.06 1.62 1.25 0.00 -1.46 0.00 0.00 42.92 44.39 1qe3 s ASP 150 CO 0.83 -0.22 1.77 -0.33 0.52 0.00 0.00 175.17 177.74 1qe3 h GLU 151 N 7.65 0.00 0.00 4.34 4.39 -1.88 -1.22 114.58 127.85 1qe3 h GLU 151 Ca -0.23 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.42 1qe3 h GLU 151 Cb 1.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1qe3 h GLU 151 CO 0.15 0.00 -0.22 0.00 -1.16 0.00 0.00 179.01 177.78 1qe3 h ALA 152 N 2.08 0.98 -2.27 3.43 0.00 -1.95 -3.44 119.26 118.09 1qe3 h ALA 152 Ca 0.00 -0.20 -0.49 0.00 0.00 0.00 0.00 54.91 54.22 1qe3 h ALA 152 Cb 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1qe3 h ALA 152 CO 0.00 0.28 0.21 0.71 0.00 0.00 0.00 179.25 180.44 1qe3 s TYR 153 N -3.54 3.46 0.03 0.00 2.02 -0.46 -4.77 117.35 114.09 1qe3 s TYR 153 Ca 0.01 1.21 0.07 0.00 -0.37 0.00 0.00 57.07 57.99 1qe3 s TYR 153 Cb 0.09 -2.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.05 1qe3 s TYR 153 CO 0.64 -0.18 -0.18 -1.12 -1.57 0.00 0.00 175.55 173.14 1qe3 s SER 154 N -3.06 3.78 0.59 2.29 0.01 -1.01 -4.61 113.70 111.69 1qe3 s SER 154 Ca 0.54 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.36 1qe3 s SER 154 Cb -0.10 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.55 1qe3 s SER 154 CO 0.30 0.26 0.85 -1.81 0.41 0.00 0.00 173.24 173.26 1qe3 s ASP 155 N -1.37 5.23 -1.56 2.44 1.01 -1.26 -4.37 116.67 116.80 1qe3 s ASP 155 Ca 0.14 0.26 -0.14 0.00 0.71 0.00 0.00 52.55 53.52 1qe3 s ASP 155 Cb -0.10 -1.12 0.10 0.00 1.01 0.00 0.00 42.92 42.80 1qe3 s ASP 155 CO 0.05 -1.22 0.93 0.59 0.21 0.00 0.00 175.17 175.72 1qe3 n ASN 156 N -2.52 -4.29 -0.32 0.27 3.02 -1.26 -4.87 115.26 105.30 1qe3 n ASN 156 Ca 0.07 -0.83 0.06 0.00 -0.03 0.00 0.00 54.58 53.85 1qe3 n ASN 156 Cb 0.59 -3.66 0.21 0.00 -0.61 0.00 0.00 39.78 36.32 1qe3 n ASN 156 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1qe3 h LEU 157 N -1.96 0.71 -1.16 3.41 3.38 -1.68 -1.03 115.31 116.98 1qe3 h LEU 157 Ca -0.58 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.45 1qe3 h LEU 157 Cb 1.38 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1qe3 h LEU 157 CO 0.69 0.36 0.55 1.23 0.09 0.00 0.00 178.44 181.36 1qe3 h GLY 158 N 0.80 1.19 1.43 0.83 0.00 -1.42 0.35 103.07 106.25 1qe3 h GLY 158 Ca 0.46 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 1qe3 h GLY 158 CO -0.29 0.44 -0.55 1.41 0.00 0.00 0.00 176.54 177.54 1qe3 h LEU 159 N 1.14 0.67 -1.03 3.11 3.38 -1.51 -1.96 115.31 119.11 1qe3 h LEU 159 Ca 0.31 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1qe3 h LEU 159 Cb -0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1qe3 h LEU 159 CO -0.06 1.08 -0.01 -0.07 0.09 0.00 0.00 178.44 179.47 1qe3 h LEU 160 N 0.46 0.65 -0.30 1.67 3.38 -0.49 -0.47 115.31 120.21 1qe3 h LEU 160 Ca 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1qe3 h LEU 160 Cb 1.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1qe3 h LEU 160 CO 0.11 0.72 0.09 0.44 0.09 0.00 0.00 178.44 179.89 1qe3 h ASP 161 N 0.64 0.44 -0.73 -0.43 3.32 -0.72 0.31 116.42 119.24 1qe3 h ASP 161 Ca 0.13 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.01 1qe3 h ASP 161 Cb 0.42 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1qe3 h ASP 161 CO 0.02 0.53 0.45 1.56 -1.72 0.00 0.00 179.24 180.07 1qe3 h GLN 162 N 0.32 0.83 -0.78 3.56 4.20 -0.89 0.12 115.11 122.47 1qe3 h GLN 162 Ca 0.10 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 1qe3 h GLN 162 Cb 0.25 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1qe3 h GLN 162 CO -0.00 0.55 0.29 0.00 -0.67 0.00 0.00 178.83 179.00 1qe3 h ALA 163 N 1.33 1.02 -0.39 3.87 0.00 -0.74 -0.63 119.26 123.72 1qe3 h ALA 163 Ca 0.30 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1qe3 h ALA 163 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1qe3 h ALA 163 CO -0.13 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 1qe3 h ALA 164 N 1.15 1.25 -0.50 0.00 0.00 -0.08 0.27 119.26 121.35 1qe3 h ALA 164 Ca 0.26 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1qe3 h ALA 164 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1qe3 h ALA 164 CO -0.02 0.50 -0.19 0.00 0.00 0.00 0.00 179.25 179.55 1qe3 h ALA 165 N 1.40 0.72 -0.29 0.00 0.00 -0.35 -0.16 119.26 120.58 1qe3 h ALA 165 Ca 0.12 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1qe3 h ALA 165 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1qe3 h ALA 165 CO 0.01 0.68 -0.20 -0.07 0.00 0.00 0.00 179.25 179.67 1qe3 h LEU 166 N 0.88 0.53 -0.62 0.00 3.38 -0.59 -0.46 115.31 118.41 1qe3 h LEU 166 Ca 0.12 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1qe3 h LEU 166 Cb 0.76 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1qe3 h LEU 166 CO 0.06 0.74 -0.30 0.50 0.09 0.00 0.00 178.44 179.53 1qe3 h LYS 167 N 0.47 0.76 -0.65 1.13 3.64 -0.69 -1.00 116.57 120.23 1qe3 h LYS 167 Ca 0.08 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 1qe3 h LYS 167 Cb 0.62 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1qe3 h LYS 167 CO 0.04 0.96 0.38 2.35 -2.27 0.00 0.00 179.45 180.91 1qe3 h TRP 168 N 0.64 0.87 -0.41 1.91 7.01 -0.41 -1.21 115.95 124.35 1qe3 h TRP 168 Ca 0.07 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1qe3 h TRP 168 Cb 0.83 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 1qe3 h TRP 168 CO 0.04 0.60 0.23 0.28 -2.79 0.00 0.00 178.44 176.81 1qe3 h VAL 169 N 0.88 1.15 -0.84 2.65 2.07 -0.70 0.78 116.25 122.24 1qe3 h VAL 169 Ca 0.23 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1qe3 h VAL 169 Cb 0.00 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1qe3 h VAL 169 CO -0.04 0.15 0.53 -0.09 0.02 0.00 0.00 177.57 178.14 1qe3 h ARG 170 N 0.53 0.98 0.00 1.57 2.43 -0.74 -0.27 114.38 118.88 1qe3 h ARG 170 Ca 0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1qe3 h ARG 170 Cb 0.04 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1qe3 h ARG 170 CO -0.02 0.65 -0.40 0.93 -1.51 0.00 0.00 179.97 179.61 1qe3 h GLU 171 N 1.01 0.00 0.00 0.20 4.39 -0.91 -3.41 114.58 115.85 1qe3 h GLU 171 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1qe3 h GLU 171 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1qe3 h GLU 171 CO -0.14 0.00 -0.85 0.09 -1.16 0.00 0.00 179.01 176.95 1qe3 n ASN 172 N -2.83 4.27 0.31 1.42 3.02 0.24 -4.81 115.26 116.87 1qe3 n ASN 172 Ca 0.03 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.74 1qe3 n ASN 172 Cb 0.53 0.83 0.98 0.00 -0.61 0.00 0.00 39.78 41.50 1qe3 n ASN 172 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qe3 h ILE 173 N 0.00 0.43 -0.06 2.41 6.09 -1.20 -1.46 117.51 123.71 1qe3 h ILE 173 Ca 0.00 -0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.45 1qe3 h ILE 173 Cb 0.05 1.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.34 1qe3 h ILE 173 CO 0.00 0.00 -0.15 0.77 -3.07 0.00 0.00 178.15 175.70 1qe3 h SER 174 N 0.00 0.09 0.87 2.19 4.64 -1.81 0.43 113.55 119.97 1qe3 h SER 174 Ca -0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1qe3 h SER 174 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1qe3 h SER 174 CO 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 1qe3 h ALA 175 N 1.76 1.00 -0.28 5.18 0.00 -1.57 -1.76 119.26 123.59 1qe3 h ALA 175 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qe3 h ALA 175 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qe3 h ALA 175 CO 0.02 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.46 1qe3 n PHE 176 N -2.58 0.35 -0.26 0.00 3.01 -0.31 -4.86 117.46 112.82 1qe3 n PHE 176 Ca 0.02 -0.20 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1qe3 n PHE 176 Cb 0.27 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 1qe3 n PHE 176 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qe3 n GLY 177 N 1.29 0.86 3.95 1.37 0.00 -0.66 -4.97 105.19 107.02 1qe3 n GLY 177 Ca 0.16 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1qe3 n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qe3 s GLY 178 N -2.10 1.62 -0.45 -0.02 0.00 -0.01 -1.59 107.32 104.77 1qe3 s GLY 178 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 44.72 43.08 1qe3 s GLY 178 CO 0.00 -1.42 0.35 -0.35 0.00 0.00 0.00 173.10 171.68 1qe3 s ASP 179 N -4.11 6.09 0.04 1.64 -1.08 0.77 -3.61 116.67 116.41 1qe3 s ASP 179 Ca 0.43 -1.21 0.09 0.00 -0.52 0.00 0.00 52.55 51.35 1qe3 s ASP 179 Cb -0.09 -2.16 0.41 0.00 -1.46 0.00 0.00 42.92 39.62 1qe3 s ASP 179 CO 0.30 -0.58 1.29 -0.81 0.52 0.00 0.00 175.17 175.89 1qe3 n PRO 180 N 5.17 0.02 -0.18 4.34 -0.04 -1.26 -1.75 135.00 141.30 1qe3 n PRO 180 Ca -0.12 0.39 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 1qe3 n PRO 180 Cb 0.45 -1.55 0.21 0.00 -0.04 0.00 0.00 33.50 32.57 1qe3 n PRO 180 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qe3 n ASP 181 N -1.59 3.41 -3.20 3.54 8.00 -1.26 -4.42 116.55 121.03 1qe3 n ASP 181 Ca 0.02 -1.99 -0.23 0.00 0.71 0.00 0.00 54.79 53.30 1qe3 n ASP 181 Cb 0.09 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 1qe3 n ASP 181 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qe3 n ASN 182 N 1.47 1.38 -4.58 -2.24 4.05 -0.72 -4.83 115.26 109.80 1qe3 n ASN 182 Ca 0.19 -3.01 -0.35 0.00 0.45 0.00 0.00 54.58 51.86 1qe3 n ASN 182 Cb 0.60 -0.63 -0.11 0.00 1.23 0.00 0.00 39.78 40.88 1qe3 n ASN 182 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1qe3 s VAL 183 N -2.14 4.62 -0.20 3.44 1.01 -1.26 -1.85 120.40 124.03 1qe3 s VAL 183 Ca 0.39 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1qe3 s VAL 183 Cb 0.24 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1qe3 s VAL 183 CO -0.09 0.42 -0.05 -0.89 0.00 0.00 0.00 175.10 174.49 1qe3 s THR 184 N 0.73 3.42 -0.15 3.92 2.01 0.63 -0.78 115.64 125.42 1qe3 s THR 184 Ca 0.03 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.41 1qe3 s THR 184 Cb -0.13 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 1qe3 s THR 184 CO 0.02 0.45 0.26 0.54 -0.69 0.00 0.00 174.62 175.20 1qe3 s VAL 185 N 1.17 5.32 0.04 3.82 0.11 -0.74 -0.28 120.40 129.84 1qe3 s VAL 185 Ca 0.02 0.49 0.02 0.00 -2.93 0.00 0.00 61.98 59.58 1qe3 s VAL 185 Cb -0.14 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 1qe3 s VAL 185 CO -0.01 0.44 -0.08 0.72 -3.33 0.00 0.00 175.10 172.84 1qe3 s PHE 186 N 0.14 0.67 0.03 1.54 -0.71 0.24 -0.89 117.98 119.00 1qe3 s PHE 186 Ca 0.16 -0.52 -0.28 0.00 -1.04 0.00 0.00 56.93 55.24 1qe3 s PHE 186 Cb -0.13 -0.40 0.09 0.00 -1.21 0.00 0.00 43.02 41.38 1qe3 s PHE 186 CO 0.04 -0.09 0.96 0.20 -1.34 0.00 0.00 175.22 174.98 1qe3 s GLY 187 N -1.66 -0.38 0.07 1.99 0.00 -0.99 -0.90 107.32 105.45 1qe3 s GLY 187 Ca -0.09 0.77 0.05 0.00 0.00 0.00 0.00 44.72 45.45 1qe3 s GLY 187 CO 0.00 0.24 -0.14 1.85 0.00 0.00 0.00 173.10 175.05 1qe3 s GLU 188 N -3.08 0.83 6.96 2.90 -6.30 -1.21 -1.44 118.70 117.37 1qe3 s GLU 188 Ca 0.08 -0.92 0.00 0.00 -2.50 0.00 0.00 54.97 51.63 1qe3 s GLU 188 Cb -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 34.13 33.29 1qe3 s GLU 188 CO -0.05 0.19 0.00 0.45 0.02 0.00 0.00 175.26 175.87 1qe3 n SER 189 N 1.39 0.00 0.22 -1.70 2.88 0.01 -0.47 113.62 115.96 1qe3 n SER 189 Ca -0.21 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.50 1qe3 n SER 189 Cb 0.54 0.00 0.84 0.00 -0.75 0.00 0.00 64.21 64.84 1qe3 n SER 189 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qe3 h ALA 190 N -0.87 1.76 -0.14 -1.46 0.00 -1.85 0.24 119.26 116.93 1qe3 h ALA 190 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1qe3 h ALA 190 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qe3 h ALA 190 CO 0.00 -0.23 -0.57 0.78 0.00 0.00 0.00 179.25 179.23 1qe3 h GLY 191 N 0.00 0.48 1.20 0.00 0.00 -0.76 0.02 103.07 104.02 1qe3 h GLY 191 Ca 0.07 -0.57 -0.18 0.00 0.00 0.00 0.00 47.33 46.64 1qe3 h GLY 191 CO -0.00 0.51 -0.54 -1.33 0.00 0.00 0.00 176.54 175.18 1qe3 h GLY 192 N 1.19 0.92 1.89 4.60 0.00 -0.60 -1.85 103.07 109.23 1qe3 h GLY 192 Ca 0.00 -1.06 -0.08 0.00 0.00 0.00 0.00 47.33 46.19 1qe3 h GLY 192 CO 0.10 0.96 -0.34 -0.33 0.00 0.00 0.00 176.54 176.93 1qe3 h MET 193 N 0.64 0.13 -0.18 4.80 2.86 -1.06 -1.16 114.93 120.95 1qe3 h MET 193 Ca 0.02 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1qe3 h MET 193 Cb 1.14 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1qe3 h MET 193 CO 0.12 0.45 -0.12 0.77 1.06 0.00 0.00 176.91 179.19 1qe3 h SER 194 N 0.11 0.42 -0.57 1.22 0.02 -0.80 -2.95 113.55 111.00 1qe3 h SER 194 Ca 0.01 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1qe3 h SER 194 Cb 0.65 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1qe3 h SER 194 CO 0.05 0.77 0.31 0.40 -1.14 0.00 0.00 176.83 177.22 1qe3 h ILE 195 N 0.07 1.19 -0.98 3.27 2.04 -0.98 0.16 117.51 122.29 1qe3 h ILE 195 Ca 0.04 -0.49 0.10 0.00 1.00 0.00 0.00 64.86 65.51 1qe3 h ILE 195 Cb 0.62 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 1qe3 h ILE 195 CO 0.03 0.21 0.61 0.00 0.00 0.00 0.00 178.15 179.00 1qe3 h ALA 196 N 1.51 1.43 0.01 1.87 0.00 -1.07 -0.28 119.26 122.74 1qe3 h ALA 196 Ca 0.21 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1qe3 h ALA 196 Cb 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.63 1qe3 h ALA 196 CO -0.03 0.26 -0.71 0.00 0.00 0.00 0.00 179.25 178.76 1qe3 h ALA 197 N 1.51 0.07 -0.13 0.00 0.00 -1.08 -3.28 119.26 116.35 1qe3 h ALA 197 Ca 0.47 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1qe3 h ALA 197 Cb 0.40 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1qe3 h ALA 197 CO -0.24 0.42 0.09 -0.07 0.00 0.00 0.00 179.25 179.44 1qe3 h LEU 198 N -0.03 0.09 -0.54 0.00 3.38 0.01 0.10 115.31 118.32 1qe3 h LEU 198 Ca -0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1qe3 h LEU 198 Cb 1.42 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1qe3 h LEU 198 CO 0.14 0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.91 1qe3 n LEU 199 N -4.51 0.39 0.00 1.67 4.77 -0.19 -3.41 117.00 115.72 1qe3 n LEU 199 Ca -0.01 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1qe3 n LEU 199 Cb 0.13 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1qe3 n LEU 199 CO 0.34 -0.53 -0.41 0.00 -1.33 0.00 0.00 177.39 175.47 1qe3 n ALA 200 N -1.67 1.67 -1.78 -1.18 0.00 -0.10 -4.12 120.51 113.33 1qe3 n ALA 200 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1qe3 n ALA 200 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 1qe3 n ALA 200 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1qe3 s MET 201 N -1.65 4.31 0.25 0.00 -1.94 0.16 -4.95 119.30 115.48 1qe3 s MET 201 Ca 0.00 2.28 -0.04 0.00 -1.71 0.00 0.00 55.69 56.22 1qe3 s MET 201 Cb 0.00 -3.06 0.36 0.00 2.01 0.00 0.00 34.83 34.14 1qe3 s MET 201 CO 0.00 -0.26 1.87 -1.35 -0.01 0.00 0.00 175.02 175.27 1qe3 h PRO 202 N 3.46 1.04 0.00 2.03 0.11 -1.91 -2.25 132.00 134.48 1qe3 h PRO 202 Ca -0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1qe3 h PRO 202 Cb 1.23 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1qe3 h PRO 202 CO 0.66 0.69 -0.04 0.00 -0.21 0.00 0.00 178.00 179.10 1qe3 h ALA 203 N 1.42 1.25 -0.47 -0.75 0.00 -1.92 -2.85 119.26 115.95 1qe3 h ALA 203 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1qe3 h ALA 203 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1qe3 h ALA 203 CO -0.17 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.13 1qe3 n ALA 204 N -2.22 2.41 -1.68 0.00 0.00 -0.85 -4.89 120.51 113.28 1qe3 n ALA 204 Ca -0.02 -1.35 -0.44 0.00 0.00 0.00 0.00 53.44 51.62 1qe3 n ALA 204 Cb 0.15 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1qe3 n ALA 204 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qe3 n LYS 205 N 0.78 2.49 -1.30 0.00 4.76 -1.08 -2.13 118.16 121.68 1qe3 n LYS 205 Ca 0.17 0.91 -0.10 0.00 -2.87 0.00 0.00 58.31 56.42 1qe3 n LYS 205 Cb 0.58 -2.75 -0.04 0.00 -1.84 0.00 0.00 35.03 30.97 1qe3 n LYS 205 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qe3 n GLY 206 N 4.01 1.15 0.39 0.72 0.00 -1.26 -4.91 105.19 105.29 1qe3 n GLY 206 Ca 0.18 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1qe3 n GLY 206 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qe3 n LEU 207 N -1.17 1.40 -3.48 0.99 4.77 -0.91 -4.94 117.00 113.66 1qe3 n LEU 207 Ca -0.10 -0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 55.32 1qe3 n LEU 207 Cb 0.38 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1qe3 n LEU 207 CO 0.16 0.25 0.52 0.72 -1.33 0.00 0.00 177.39 177.71 1qe3 s PHE 208 N -2.33 -0.50 -0.43 -1.77 -0.12 -1.26 -4.86 117.98 106.72 1qe3 s PHE 208 Ca 0.28 0.54 0.11 0.00 -0.05 0.00 0.00 56.93 57.80 1qe3 s PHE 208 Cb 0.20 0.50 -0.13 0.00 -0.63 0.00 0.00 43.02 42.96 1qe3 s PHE 208 CO 0.46 -0.66 0.42 1.04 -0.05 0.00 0.00 175.22 176.44 1qe3 n GLN 209 N 0.11 2.87 -3.88 1.99 3.00 0.04 -4.97 117.38 116.53 1qe3 n GLN 209 Ca -0.15 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.73 1qe3 n GLN 209 Cb 0.61 -1.06 -0.08 0.00 0.00 0.00 0.00 30.24 29.71 1qe3 n GLN 209 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1qe3 s LYS 210 N -2.16 0.74 -0.01 -1.09 1.02 -1.02 -3.96 119.74 113.25 1qe3 s LYS 210 Ca 0.03 -0.85 -0.04 0.00 0.02 0.00 0.00 55.97 55.13 1qe3 s LYS 210 Cb 0.08 0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 1qe3 s LYS 210 CO 0.45 -0.21 0.08 0.00 -0.92 0.00 0.00 175.35 174.75 1qe3 s ALA 211 N -3.26 -0.19 -0.12 5.17 0.00 -0.78 -1.79 121.76 120.78 1qe3 s ALA 211 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 1qe3 s ALA 211 Cb 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1qe3 s ALA 211 CO -0.08 -0.12 -0.10 0.42 0.00 0.00 0.00 175.76 175.89 1qe3 s ILE 212 N -0.68 1.22 -0.33 0.00 1.01 -0.07 -1.45 121.20 120.90 1qe3 s ILE 212 Ca -0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 1qe3 s ILE 212 Cb -0.05 -1.19 0.07 0.00 0.01 0.00 0.00 42.46 41.31 1qe3 s ILE 212 CO 0.00 0.40 0.05 -0.04 0.00 0.00 0.00 174.94 175.35 1qe3 s MET 213 N 1.60 2.15 -0.29 2.79 -1.94 0.12 -2.36 119.30 121.36 1qe3 s MET 213 Ca 0.04 -1.51 -0.11 0.00 -1.71 0.00 0.00 55.69 52.39 1qe3 s MET 213 Cb -0.13 -3.25 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 1qe3 s MET 213 CO -0.09 -0.78 0.20 -1.21 -0.01 0.00 0.00 175.02 173.14 1qe3 s GLU 214 N 1.15 3.83 -1.31 2.03 2.02 -0.52 -2.04 118.70 123.86 1qe3 s GLU 214 Ca 0.00 -0.40 -0.16 0.00 0.02 0.00 0.00 54.97 54.43 1qe3 s GLU 214 Cb -0.20 -3.69 0.01 0.00 0.10 0.00 0.00 34.13 30.34 1qe3 s GLU 214 CO -0.03 -0.25 0.50 0.43 0.02 0.00 0.00 175.26 175.93 1qe3 n SER 215 N 5.07 -2.39 0.00 -0.19 7.64 -0.13 -0.81 113.62 122.81 1qe3 n SER 215 Ca -0.14 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 58.59 1qe3 n SER 215 Cb 0.51 -2.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.30 1qe3 n SER 215 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qe3 n GLY 216 N -2.07 1.14 0.00 0.23 0.00 -1.26 -2.59 105.19 100.63 1qe3 n GLY 216 Ca -0.20 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1qe3 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe3 n ALA 217 N -0.01 0.00 -1.67 4.61 0.00 -1.26 -4.11 120.51 118.06 1qe3 n ALA 217 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 1qe3 n ALA 217 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1qe3 n ALA 217 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qe3 n SER 218 N 0.00 3.68 -3.55 0.00 2.88 -1.26 -4.15 113.62 111.22 1qe3 n SER 218 Ca 0.00 0.95 -0.11 0.00 -1.33 0.00 0.00 58.87 58.37 1qe3 n SER 218 Cb 0.00 -1.42 -0.11 0.00 -0.75 0.00 0.00 64.21 61.94 1qe3 n SER 218 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1qe3 s ARG 219 N 4.24 0.26 0.11 -1.46 6.06 -1.26 -4.99 118.95 121.91 1qe3 s ARG 219 Ca 0.92 0.71 -0.09 0.00 -2.50 0.00 0.00 55.73 54.77 1qe3 s ARG 219 Cb -0.61 -0.20 -0.00 0.00 0.06 0.00 0.00 34.95 34.20 1qe3 s ARG 219 CO 0.49 -0.42 0.22 0.95 -2.50 0.00 0.00 175.30 174.03 1qe3 s THR 220 N 2.50 0.12 0.25 4.11 -4.23 -1.26 -4.24 115.64 112.89 1qe3 s THR 220 Ca 0.04 -1.25 0.09 0.00 -1.18 0.00 0.00 61.69 59.39 1qe3 s THR 220 Cb -0.13 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1qe3 s THR 220 CO -0.12 -0.53 0.05 0.00 -0.54 0.00 0.00 174.62 173.48 1qe3 s MET 221 N -3.90 2.47 0.74 3.99 0.23 0.13 -4.98 119.30 117.97 1qe3 s MET 221 Ca 0.09 -1.29 -0.11 0.00 -1.03 0.00 0.00 55.69 53.35 1qe3 s MET 221 Cb 0.04 -2.28 0.03 0.00 -1.53 0.00 0.00 34.83 31.09 1qe3 s MET 221 CO -0.07 0.38 1.08 0.95 -2.03 0.00 0.00 175.02 175.32 1qe3 s THR 222 N -2.22 3.67 0.32 3.16 -4.23 -1.26 -1.92 115.64 113.15 1qe3 s THR 222 Ca 0.31 0.54 0.01 0.00 -1.18 0.00 0.00 61.69 61.37 1qe3 s THR 222 Cb -0.07 -3.17 0.22 0.00 1.34 0.00 0.00 72.50 70.83 1qe3 s THR 222 CO 0.21 -0.71 1.94 0.50 -0.54 0.00 0.00 174.62 176.02 1qe3 h LYS 223 N -0.93 0.84 -0.41 3.99 3.64 -1.94 -0.86 116.57 120.92 1qe3 h LYS 223 Ca -0.44 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 58.78 1qe3 h LYS 223 Cb 1.22 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1qe3 h LYS 223 CO 0.54 0.63 -0.01 0.93 -2.27 0.00 0.00 179.45 179.27 1qe3 h GLU 224 N 0.85 0.73 -0.63 1.90 3.07 -1.91 -2.20 114.58 116.38 1qe3 h GLU 224 Ca 0.22 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 1qe3 h GLU 224 Cb 0.05 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1qe3 h GLU 224 CO -0.03 0.82 0.07 0.37 -1.40 0.00 0.00 179.01 178.84 1qe3 h GLN 225 N 0.56 1.06 -0.74 2.33 5.75 -1.79 -1.10 115.11 121.18 1qe3 h GLN 225 Ca 0.11 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.33 1qe3 h GLN 225 Cb 0.50 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 1qe3 h GLN 225 CO 0.02 0.99 0.48 0.00 -2.65 0.00 0.00 178.83 177.67 1qe3 h ALA 226 N 1.08 0.93 -0.47 3.38 0.00 -1.04 -0.84 119.26 122.31 1qe3 h ALA 226 Ca 0.19 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1qe3 h ALA 226 Cb 0.47 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1qe3 h ALA 226 CO 0.02 0.36 -0.15 0.00 0.00 0.00 0.00 179.25 179.48 1qe3 h ALA 227 N 1.26 0.85 -0.17 0.00 0.00 -1.08 -1.30 119.26 118.83 1qe3 h ALA 227 Ca 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1qe3 h ALA 227 Cb -0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1qe3 h ALA 227 CO -0.06 0.64 0.09 0.77 0.00 0.00 0.00 179.25 180.69 1qe3 h SER 228 N 0.78 0.22 -0.71 0.00 0.02 -0.67 -1.21 113.55 111.99 1qe3 h SER 228 Ca 0.12 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1qe3 h SER 228 Cb 0.68 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1qe3 h SER 228 CO 0.05 0.27 0.23 0.74 -1.14 0.00 0.00 176.83 176.98 1qe3 h THR 229 N 0.16 1.26 -0.54 -2.27 2.02 -1.10 -1.91 112.91 110.52 1qe3 h THR 229 Ca 0.06 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.39 1qe3 h THR 229 Cb 0.10 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1qe3 h THR 229 CO -0.01 0.34 0.34 0.00 0.37 0.00 0.00 175.52 176.56 1qe3 h ALA 230 N 1.11 0.70 -0.66 6.16 0.00 -1.01 -0.69 119.26 124.86 1qe3 h ALA 230 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1qe3 h ALA 230 Cb 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1qe3 h ALA 230 CO -0.01 0.06 0.30 0.00 0.00 0.00 0.00 179.25 179.61 1qe3 h ALA 231 N 1.23 0.85 -0.63 0.00 0.00 -0.92 -2.16 119.26 117.62 1qe3 h ALA 231 Ca 0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1qe3 h ALA 231 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1qe3 h ALA 231 CO -0.08 0.43 0.28 0.00 0.00 0.00 0.00 179.25 179.88 1qe3 h ALA 232 N 1.14 1.31 0.05 0.00 0.00 -0.82 -1.71 119.26 119.22 1qe3 h ALA 232 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qe3 h ALA 232 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1qe3 h ALA 232 CO -0.03 0.53 -0.02 0.35 0.00 0.00 0.00 179.25 180.08 1qe3 h PHE 233 N 0.90 -0.06 0.00 0.00 3.57 -0.67 -2.28 116.94 118.40 1qe3 h PHE 233 Ca 0.22 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1qe3 h PHE 233 Cb 0.13 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1qe3 h PHE 233 CO 0.01 0.12 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.06 1qe3 h LEU 234 N -0.24 0.00 -0.00 0.59 4.07 -1.15 -1.28 115.31 117.31 1qe3 h LEU 234 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1qe3 h LEU 234 Cb 0.21 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 1qe3 h LEU 234 CO 0.01 0.09 0.00 1.56 -1.08 0.00 0.00 178.44 179.02 1qe3 h GLN 235 N 0.00 0.01 -0.72 1.13 4.20 -1.02 0.21 115.11 118.91 1qe3 h GLN 235 Ca -0.00 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1qe3 h GLN 235 Cb 0.16 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1qe3 h GLN 235 CO 0.01 0.28 0.48 0.28 -0.67 0.00 0.00 178.83 179.21 1qe3 h VAL 236 N -0.27 1.09 0.00 -0.54 2.07 -0.87 -0.64 116.25 117.09 1qe3 h VAL 236 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1qe3 h VAL 236 Cb 0.28 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1qe3 h VAL 236 CO 0.00 0.16 -0.01 0.18 0.02 0.00 0.00 177.57 177.92 1qe3 n LEU 237 N -4.46 0.01 -2.33 2.57 4.77 -0.53 -4.92 117.00 112.11 1qe3 n LEU 237 Ca 0.09 0.49 -0.15 0.00 -0.03 0.00 0.00 56.01 56.42 1qe3 n LEU 237 Cb 0.14 -0.50 0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1qe3 n LEU 237 CO 0.35 0.00 0.10 0.61 -1.33 0.00 0.00 177.39 177.12 1qe3 n GLY 238 N 1.50 -0.04 3.16 -0.72 0.00 -0.21 -5.01 105.19 103.86 1qe3 n GLY 238 Ca 0.07 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1qe3 n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qe3 s ILE 239 N -3.11 2.25 0.60 -0.61 1.01 -0.11 -5.04 121.20 116.19 1qe3 s ILE 239 Ca 0.31 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 60.17 1qe3 s ILE 239 Cb -0.14 -1.95 0.10 0.00 0.01 0.00 0.00 42.46 40.49 1qe3 s ILE 239 CO 0.39 0.53 0.83 0.54 0.00 0.00 0.00 174.94 177.23 1qe3 s ASN 240 N 1.16 4.99 0.00 3.58 2.20 -1.26 -4.50 114.94 121.12 1qe3 s ASN 240 Ca 0.02 -0.89 0.05 0.00 -0.94 0.00 0.00 52.86 51.09 1qe3 s ASN 240 Cb -0.14 0.43 0.26 0.00 -2.00 0.00 0.00 41.25 39.80 1qe3 s ASN 240 CO -0.08 -1.45 0.94 -0.62 -2.94 0.00 0.00 177.10 172.95 1qe3 n GLU 241 N -2.32 0.09 -0.08 3.55 1.02 -1.26 -1.25 120.64 120.38 1qe3 n GLU 241 Ca 0.17 0.18 0.05 0.00 -0.02 0.00 0.00 57.16 57.54 1qe3 n GLU 241 Cb 0.62 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.63 1qe3 n GLU 241 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1qe3 n SER 242 N -1.21 2.39 -0.36 1.62 3.41 -1.26 -4.51 113.62 113.70 1qe3 n SER 242 Ca 0.03 -1.72 0.07 0.00 -0.26 0.00 0.00 58.87 56.98 1qe3 n SER 242 Cb 0.03 -0.11 0.12 0.00 -0.26 0.00 0.00 64.21 63.99 1qe3 n SER 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qe3 n GLN 243 N 0.54 1.02 0.16 4.33 6.02 -0.38 -4.81 117.38 124.26 1qe3 n GLN 243 Ca 0.09 -2.40 0.18 0.00 -0.01 0.00 0.00 57.00 54.86 1qe3 n GLN 243 Cb 0.34 -1.23 0.79 0.00 1.02 0.00 0.00 30.24 31.16 1qe3 n GLN 243 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1qe3 h LEU 244 N 0.28 0.00 -1.76 1.08 -0.00 -1.79 -1.23 115.31 111.88 1qe3 h LEU 244 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 58.00 1qe3 h LEU 244 Cb 1.14 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.76 1qe3 h LEU 244 CO 0.01 0.00 0.42 0.44 -0.00 0.00 0.00 178.44 179.31 1qe3 h ASP 245 N 0.00 0.23 0.66 -0.43 5.19 -1.93 -0.09 116.42 120.05 1qe3 h ASP 245 Ca 0.13 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1qe3 h ASP 245 Cb 0.67 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1qe3 h ASP 245 CO -0.00 0.13 0.00 0.03 -3.12 0.00 0.00 179.24 176.28 1qe3 h ARG 246 N 0.25 0.00 0.00 3.56 3.08 -1.63 -2.52 114.38 117.13 1qe3 h ARG 246 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1qe3 h ARG 246 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1qe3 h ARG 246 CO -0.06 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.77 1qe3 h LEU 247 N 0.00 0.00 -0.09 3.04 3.38 -1.17 0.15 115.31 120.62 1qe3 h LEU 247 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qe3 h LEU 247 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1qe3 h LEU 247 CO 0.00 0.00 -0.94 1.41 0.09 0.00 0.00 178.44 179.00 1qe3 n HIS 248 N -2.94 0.00 0.07 1.13 8.25 -0.95 -4.44 115.22 116.34 1qe3 n HIS 248 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1qe3 n HIS 248 Cb 0.11 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 1qe3 n HIS 248 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1qe3 n THR 249 N -1.37 0.00 -1.88 1.59 -2.24 -0.57 -4.27 114.28 105.53 1qe3 n THR 249 Ca 0.05 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1qe3 n THR 249 Cb 0.34 0.56 0.01 0.00 -2.10 0.00 0.00 70.33 69.14 1qe3 n THR 249 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qe3 s VAL 250 N -2.13 2.24 0.41 2.28 0.11 -0.07 -4.93 120.40 118.32 1qe3 s VAL 250 Ca -0.01 0.22 -0.27 0.00 -2.93 0.00 0.00 61.98 58.99 1qe3 s VAL 250 Cb 0.04 -3.13 -0.10 0.00 -1.53 0.00 0.00 36.38 31.66 1qe3 s VAL 250 CO 0.23 0.03 1.45 0.00 -3.33 0.00 0.00 175.10 173.48 1qe3 s ALA 251 N -1.21 3.41 0.41 1.54 0.00 -1.26 -4.89 121.76 119.75 1qe3 s ALA 251 Ca 0.58 1.51 0.10 0.00 0.00 0.00 0.00 51.96 54.15 1qe3 s ALA 251 Cb -0.42 -3.59 0.90 0.00 0.00 0.00 0.00 23.12 20.00 1qe3 s ALA 251 CO 0.55 -1.10 1.99 0.00 0.00 0.00 0.00 175.76 177.20 1qe3 h ALA 252 N 2.69 1.84 -0.10 0.00 0.00 -2.00 -0.40 119.26 121.29 1qe3 h ALA 252 Ca -0.51 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1qe3 h ALA 252 Cb 1.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1qe3 h ALA 252 CO 0.63 0.06 -0.15 1.49 0.00 0.00 0.00 179.25 181.27 1qe3 h GLU 253 N 0.55 0.16 -0.12 0.00 4.57 -1.99 -1.44 114.58 116.31 1qe3 h GLU 253 Ca 0.26 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.27 1qe3 h GLU 253 Cb 0.30 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1qe3 h GLU 253 CO -0.07 0.32 -0.49 -0.44 -1.18 0.00 0.00 179.01 177.15 1qe3 h ASP 254 N 0.15 0.33 -0.33 1.04 3.32 -1.43 -0.50 116.42 119.00 1qe3 h ASP 254 Ca 0.03 -0.16 -0.17 0.00 0.02 0.00 0.00 57.03 56.75 1qe3 h ASP 254 Cb 0.37 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1qe3 h ASP 254 CO 0.02 0.77 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.79 1qe3 h LEU 255 N 0.25 0.96 -0.70 1.55 3.38 -1.16 -1.26 115.31 118.32 1qe3 h LEU 255 Ca 0.01 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 1qe3 h LEU 255 Cb 0.95 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1qe3 h LEU 255 CO 0.08 1.27 0.12 -0.07 0.09 0.00 0.00 178.44 179.94 1qe3 h LEU 256 N 0.67 1.08 -0.25 1.67 3.38 -1.10 0.16 115.31 120.92 1qe3 h LEU 256 Ca 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1qe3 h LEU 256 Cb 1.05 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1qe3 h LEU 256 CO 0.11 1.06 0.10 0.50 0.09 0.00 0.00 178.44 180.29 1qe3 h LYS 257 N 1.05 0.37 -0.67 1.13 1.63 -0.98 -1.37 116.57 117.73 1qe3 h LYS 257 Ca 0.21 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.89 1qe3 h LYS 257 Cb 0.43 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1qe3 h LYS 257 CO 0.01 0.41 0.20 0.00 -3.45 0.00 0.00 179.45 176.61 1qe3 h ALA 258 N 0.94 0.88 0.20 5.00 0.00 -1.08 -2.23 119.26 122.98 1qe3 h ALA 258 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1qe3 h ALA 258 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1qe3 h ALA 258 CO -0.01 0.57 -0.20 0.00 0.00 0.00 0.00 179.25 179.61 1qe3 h ALA 259 N 1.08 -0.41 -0.62 0.00 0.00 -0.72 -2.07 119.26 116.53 1qe3 h ALA 259 Ca 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1qe3 h ALA 259 Cb 0.32 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1qe3 h ALA 259 CO -0.00 -0.76 0.41 -0.44 0.00 0.00 0.00 179.25 178.46 1qe3 h ASP 260 N -0.44 0.71 -0.15 0.00 3.32 -1.19 -0.73 116.42 117.95 1qe3 h ASP 260 Ca 0.00 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1qe3 h ASP 260 Cb 0.41 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 1qe3 h ASP 260 CO -0.05 0.52 -0.18 -0.61 -1.72 0.00 0.00 179.24 177.19 1qe3 h GLN 261 N 0.84 -0.21 -0.25 3.56 4.15 -1.19 -0.90 115.11 121.12 1qe3 h GLN 261 Ca 0.23 0.01 -0.17 0.00 0.77 0.00 0.00 58.65 59.49 1qe3 h GLN 261 Cb -0.10 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.64 1qe3 h GLN 261 CO -0.05 -0.14 -0.51 -0.07 -1.93 0.00 0.00 178.83 176.13 1qe3 h LEU 262 N -0.21 0.88 -0.45 -2.39 3.38 -1.24 -2.96 115.31 112.31 1qe3 h LEU 262 Ca 0.11 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1qe3 h LEU 262 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1qe3 h LEU 262 CO -0.28 1.27 0.24 -0.09 0.09 0.00 0.00 178.44 179.67 1qe3 h ARG 263 N 0.53 0.64 -0.00 1.13 2.43 -0.96 -2.58 114.38 115.57 1qe3 h ARG 263 Ca 0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1qe3 h ARG 263 Cb 1.12 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1qe3 h ARG 263 CO 0.11 0.51 -0.01 -0.89 -1.51 0.00 0.00 179.97 178.19 1qe3 n ILE 264 N -4.68 0.00 -1.51 1.20 5.41 -0.36 -4.71 119.36 114.72 1qe3 n ILE 264 Ca 0.01 -0.01 -0.44 0.00 1.00 0.00 0.00 62.75 63.31 1qe3 n ILE 264 Cb 0.09 -0.46 -0.01 0.00 -0.71 0.00 0.00 39.64 38.55 1qe3 n ILE 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qe3 n ALA 265 N -1.16 -1.20 -0.32 -1.39 0.00 -0.98 -4.81 120.51 110.66 1qe3 n ALA 265 Ca 0.17 0.32 0.17 0.00 0.00 0.00 0.00 53.44 54.11 1qe3 n ALA 265 Cb 0.21 -1.85 0.37 0.00 0.00 0.00 0.00 19.45 18.17 1qe3 n ALA 265 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qe3 h GLU 266 N 1.38 0.35 -0.01 0.00 4.39 -1.91 0.15 114.58 118.93 1qe3 h GLU 266 Ca -0.37 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1qe3 h GLU 266 Cb 1.38 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1qe3 h GLU 266 CO 0.57 0.23 0.00 1.63 -1.16 0.00 0.00 179.01 180.28 1qe3 n LYS 267 N -5.07 0.72 -4.70 2.33 4.76 -1.26 -4.75 118.16 110.19 1qe3 n LYS 267 Ca 0.26 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 1qe3 n LYS 267 Cb 0.78 -1.00 -0.12 0.00 -1.84 0.00 0.00 35.03 32.85 1qe3 n LYS 267 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1qe3 s GLU 268 N -1.99 2.85 0.23 1.97 0.41 0.53 -5.12 118.70 117.56 1qe3 s GLU 268 Ca 0.00 -0.60 0.02 0.00 -0.41 0.00 0.00 54.97 53.98 1qe3 s GLU 268 Cb 0.00 -2.57 -0.05 0.00 -1.78 0.00 0.00 34.13 29.73 1qe3 s GLU 268 CO 0.00 0.56 0.03 0.54 -0.49 0.00 0.00 175.26 175.90 1qe3 s ASN 269 N -0.53 1.45 0.47 -0.19 2.20 -1.26 -4.88 114.94 112.19 1qe3 s ASN 269 Ca 0.08 -1.27 0.22 0.00 -0.94 0.00 0.00 52.86 50.95 1qe3 s ASN 269 Cb -0.12 0.09 1.17 0.00 -2.00 0.00 0.00 41.25 40.39 1qe3 s ASN 269 CO 0.02 -0.61 1.98 0.40 -2.94 0.00 0.00 177.10 175.95 1qe3 h ILE 270 N 2.50 0.79 0.00 0.54 2.04 -2.00 -2.74 117.51 118.64 1qe3 h ILE 270 Ca -0.38 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 1qe3 h ILE 270 Cb 1.23 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1qe3 h ILE 270 CO 0.63 0.19 -0.28 -0.26 0.00 0.00 0.00 178.15 178.43 1qe3 h PHE 271 N 0.00 0.00 -3.59 1.37 -1.00 -2.00 -3.38 116.94 108.35 1qe3 h PHE 271 Ca -0.00 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.10 1qe3 h PHE 271 Cb 0.46 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 39.65 1qe3 h PHE 271 CO 0.00 0.28 -0.63 -1.14 -1.61 0.00 0.00 178.31 175.21 1qe3 s GLN 272 N -3.79 1.75 0.10 1.51 0.74 -1.03 -5.00 119.66 113.93 1qe3 s GLN 272 Ca -0.01 -1.90 -0.31 0.00 0.05 0.00 0.00 55.36 53.19 1qe3 s GLN 272 Cb 0.12 -3.39 -0.10 0.00 1.10 0.00 0.00 33.01 30.74 1qe3 s GLN 272 CO 0.66 -1.01 1.90 1.28 -0.55 0.00 0.00 175.29 177.56 1qe3 n LEU 273 N 4.33 4.13 -0.18 3.68 4.77 -1.26 -4.45 117.00 128.02 1qe3 n LEU 273 Ca 0.02 0.95 -0.07 0.00 -0.03 0.00 0.00 56.01 56.88 1qe3 n LEU 273 Cb 0.41 -1.55 0.08 0.00 -2.33 0.00 0.00 43.42 40.03 1qe3 n LEU 273 CO 0.28 0.21 0.86 0.15 -1.33 0.00 0.00 177.39 177.55 1qe3 h PHE 274 N 9.36 1.06 -3.33 -1.77 3.57 -1.91 -3.40 116.94 120.52 1qe3 h PHE 274 Ca -0.48 -0.16 -0.65 0.00 3.53 0.00 0.00 57.97 60.21 1qe3 h PHE 274 Cb 1.23 -0.29 -0.26 0.00 2.79 0.00 0.00 35.95 39.42 1qe3 h PHE 274 CO 0.85 0.93 -0.73 -0.06 -2.23 0.00 0.00 178.31 177.07 1qe3 s PHE 275 N -5.06 2.89 -0.02 0.41 0.40 -1.26 -5.06 117.98 110.28 1qe3 s PHE 275 Ca -0.11 -0.62 -0.30 0.00 -0.60 0.00 0.00 56.93 55.29 1qe3 s PHE 275 Cb 0.14 -1.92 0.12 0.00 0.51 0.00 0.00 43.02 41.87 1qe3 s PHE 275 CO 0.84 -0.24 1.30 1.14 0.70 0.00 0.00 175.22 178.97 1qe3 s GLN 276 N 0.56 0.37 0.73 0.44 -2.07 -1.26 -4.58 119.66 113.85 1qe3 s GLN 276 Ca -0.06 -0.20 -0.15 0.00 -1.82 0.00 0.00 55.36 53.12 1qe3 s GLN 276 Cb -0.15 0.12 0.04 0.00 -1.09 0.00 0.00 33.01 31.93 1qe3 s GLN 276 CO 0.03 -0.17 1.23 -2.14 -1.32 0.00 0.00 175.29 172.92 1qe3 s PRO 277 N -2.37 2.13 0.07 9.60 0.02 -1.26 -4.77 135.00 138.41 1qe3 s PRO 277 Ca 0.15 1.84 0.06 0.00 0.02 0.00 0.00 61.00 63.07 1qe3 s PRO 277 Cb 0.05 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 1qe3 s PRO 277 CO -0.04 -1.86 -0.17 0.00 -0.33 0.00 0.00 177.00 174.59 1qe3 s ALA 278 N -1.87 1.45 0.28 -1.55 0.00 -1.26 -0.70 121.76 118.11 1qe3 s ALA 278 Ca 0.76 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1qe3 s ALA 278 Cb -0.31 -0.20 -0.10 0.00 0.00 0.00 0.00 23.12 22.51 1qe3 s ALA 278 CO 0.45 0.27 1.35 -0.51 0.00 0.00 0.00 175.76 177.33 1qe3 s LEU 279 N -1.53 4.41 -0.29 0.00 1.43 -0.81 -4.62 118.68 117.27 1qe3 s LEU 279 Ca 0.03 2.64 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 1qe3 s LEU 279 Cb -0.09 -3.63 0.12 0.00 0.03 0.00 0.00 46.19 42.61 1qe3 s LEU 279 CO 0.02 -0.59 0.70 -0.62 0.23 0.00 0.00 176.35 176.09 1qe3 s ASP 280 N -0.06 -1.03 0.31 2.29 3.68 0.13 -4.05 116.67 117.95 1qe3 s ASP 280 Ca 0.54 1.47 0.09 0.00 2.13 0.00 0.00 52.55 56.78 1qe3 s ASP 280 Cb -0.40 1.99 0.87 0.00 -1.45 0.00 0.00 42.92 43.93 1qe3 s ASP 280 CO 0.47 -0.21 1.72 -0.65 0.13 0.00 0.00 175.17 176.63 1qe3 h PRO 281 N 7.64 0.52 -0.07 4.34 0.11 -1.85 0.53 132.00 143.22 1qe3 h PRO 281 Ca -0.21 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.71 1qe3 h PRO 281 Cb 1.14 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.14 1qe3 h PRO 281 CO 0.12 0.35 -0.56 0.87 -0.21 0.00 0.00 178.00 178.56 1qe3 h LYS 282 N 0.54 0.50 0.00 1.05 1.57 -1.97 -3.38 116.57 114.87 1qe3 h LYS 282 Ca 0.63 -0.45 -0.27 0.00 -1.87 0.00 0.00 60.65 58.70 1qe3 h LYS 282 Cb 1.22 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 1qe3 h LYS 282 CO -0.49 1.08 -2.01 0.25 -0.57 0.00 0.00 179.45 177.71 1qe3 n THR 283 N -4.21 1.01 -3.12 -0.16 -2.24 -1.05 -4.86 114.28 99.65 1qe3 n THR 283 Ca -0.09 -0.51 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 1qe3 n THR 283 Cb 0.64 -0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 1qe3 n THR 283 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1qe3 n LEU 284 N -2.76 -1.49 -0.24 3.22 7.94 0.09 -4.35 117.00 119.41 1qe3 n LEU 284 Ca -0.27 -3.89 0.21 0.00 -1.11 0.00 0.00 56.01 50.94 1qe3 n LEU 284 Cb 0.91 0.65 0.55 0.00 0.53 0.00 0.00 43.42 46.06 1qe3 n LEU 284 CO 0.25 1.93 1.23 -0.65 -1.11 0.00 0.00 177.39 179.04 1qe3 h PRO 285 N 5.04 0.32 -3.67 1.96 0.11 -1.50 0.41 132.00 134.68 1qe3 h PRO 285 Ca 0.14 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.14 1qe3 h PRO 285 Cb 0.98 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.93 1qe3 h PRO 285 CO 0.27 0.21 -0.09 -1.83 -0.21 0.00 0.00 178.00 176.36 1qe3 s GLU 286 N -5.36 1.68 0.10 1.05 -1.05 -1.26 -4.66 118.70 109.20 1qe3 s GLU 286 Ca -0.08 -1.35 -0.33 0.00 -0.15 0.00 0.00 54.97 53.06 1qe3 s GLU 286 Cb 0.23 0.48 -0.13 0.00 -0.44 0.00 0.00 34.13 34.27 1qe3 s GLU 286 CO 0.78 -0.71 1.72 -1.91 0.95 0.00 0.00 175.26 176.09 1qe3 n GLU 287 N -0.43 2.36 -0.28 -4.83 4.07 -1.26 -4.86 120.64 115.42 1qe3 n GLU 287 Ca -0.02 0.86 0.09 0.00 -0.06 0.00 0.00 57.16 58.03 1qe3 n GLU 287 Cb 0.62 -2.68 0.24 0.00 -0.06 0.00 0.00 31.44 29.56 1qe3 n GLU 287 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1qe3 h PRO 288 N 7.30 0.28 -0.92 5.31 0.11 -1.94 -0.59 132.00 141.55 1qe3 h PRO 288 Ca -0.46 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1qe3 h PRO 288 Cb 1.25 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1qe3 h PRO 288 CO 0.92 0.18 0.59 1.49 -0.21 0.00 0.00 178.00 180.97 1qe3 h GLU 289 N 0.28 1.06 -0.43 1.05 4.81 -1.89 -0.20 114.58 119.26 1qe3 h GLU 289 Ca 0.49 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 1qe3 h GLU 289 Cb 0.90 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1qe3 h GLU 289 CO -0.56 0.70 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.12 1qe3 h LYS 290 N 1.10 0.81 -0.59 1.92 1.63 -1.50 -1.36 116.57 118.58 1qe3 h LYS 290 Ca 0.38 -0.30 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1qe3 h LYS 290 Cb 0.10 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 1qe3 h LYS 290 CO -0.15 0.92 0.30 0.77 -3.45 0.00 0.00 179.45 177.84 1qe3 h SER 291 N 0.64 0.75 -0.81 4.20 0.02 -0.72 -2.47 113.55 115.15 1qe3 h SER 291 Ca 0.11 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1qe3 h SER 291 Cb 0.61 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1qe3 h SER 291 CO 0.04 0.64 0.39 0.40 -1.14 0.00 0.00 176.83 177.16 1qe3 h ILE 292 N 0.79 1.25 0.00 3.27 1.08 -0.94 -1.74 117.51 121.23 1qe3 h ILE 292 Ca 0.20 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1qe3 h ILE 292 Cb 0.08 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 1qe3 h ILE 292 CO -0.03 0.30 0.00 0.00 -0.69 0.00 0.00 178.15 177.74 1qe3 h ALA 293 N 1.20 1.00 -0.58 1.87 0.00 -0.79 -0.80 119.26 121.16 1qe3 h ALA 293 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1qe3 h ALA 293 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1qe3 h ALA 293 CO -0.03 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1qe3 n GLU 294 N -3.04 3.27 -0.57 0.00 1.02 -0.72 -4.96 120.64 115.63 1qe3 n GLU 294 Ca -0.02 -2.68 0.00 0.00 -0.02 0.00 0.00 57.16 54.44 1qe3 n GLU 294 Cb 0.12 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1qe3 n GLU 294 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qe3 n GLY 295 N 0.98 0.66 0.29 0.62 0.00 -0.31 -4.98 105.19 102.45 1qe3 n GLY 295 Ca 0.22 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.82 1qe3 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qe3 h ALA 296 N 0.00 1.96 -0.74 4.61 0.00 -1.53 -2.50 119.26 121.06 1qe3 h ALA 296 Ca 0.00 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1qe3 h ALA 296 Cb 0.00 0.01 -0.38 0.00 0.00 0.00 0.00 17.79 17.42 1qe3 h ALA 296 CO 0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 179.25 178.62 1qe3 n ALA 297 N -2.50 5.12 -1.66 0.00 0.00 -1.26 -4.84 120.51 115.39 1qe3 n ALA 297 Ca -0.01 -3.70 -0.46 0.00 0.00 0.00 0.00 53.44 49.27 1qe3 n ALA 297 Cb 0.17 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1qe3 n ALA 297 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qe3 n SER 298 N -0.78 2.60 0.00 0.00 2.88 -0.95 -2.23 113.62 115.14 1qe3 n SER 298 Ca 0.45 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 59.13 1qe3 n SER 298 Cb 0.91 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1qe3 n SER 298 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qe3 n GLY 299 N 2.30 0.75 3.45 0.46 0.00 -0.08 -5.00 105.19 107.07 1qe3 n GLY 299 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1qe3 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qe3 s ILE 300 N -3.15 5.06 0.46 -0.61 1.01 -0.95 -4.92 121.20 118.09 1qe3 s ILE 300 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 59.83 1qe3 s ILE 300 Cb 0.00 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 1qe3 s ILE 300 CO 0.00 -0.59 1.33 -2.65 0.00 0.00 0.00 174.94 173.04 1qe3 n PRO 301 N 5.69 1.99 -4.15 2.79 -0.02 -1.25 -4.64 135.00 135.40 1qe3 n PRO 301 Ca -0.08 0.71 -0.24 0.00 -2.02 0.00 0.00 63.50 61.87 1qe3 n PRO 301 Cb 0.46 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.27 1qe3 n PRO 301 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1qe3 s LEU 302 N -2.30 1.29 -0.22 2.45 2.96 -0.44 -1.87 118.68 120.54 1qe3 s LEU 302 Ca 0.63 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.24 1qe3 s LEU 302 Cb -0.47 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 1qe3 s LEU 302 CO 0.56 -0.07 0.03 -0.22 -1.32 0.00 0.00 176.35 175.34 1qe3 s LEU 303 N 1.25 3.34 -0.02 -0.68 2.96 -0.53 -0.67 118.68 124.35 1qe3 s LEU 303 Ca -0.04 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.60 1qe3 s LEU 303 Cb -0.14 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1qe3 s LEU 303 CO -0.03 0.02 0.13 -0.51 -1.32 0.00 0.00 176.35 174.64 1qe3 s ILE 304 N 1.30 0.06 0.04 6.68 2.07 -0.07 -0.70 121.20 130.57 1qe3 s ILE 304 Ca 0.04 -0.46 -0.09 0.00 -1.41 0.00 0.00 60.65 58.74 1qe3 s ILE 304 Cb -0.15 -0.34 0.03 0.00 0.13 0.00 0.00 42.46 42.13 1qe3 s ILE 304 CO 0.02 -0.25 0.40 0.61 -1.91 0.00 0.00 174.94 173.81 1qe3 n GLY 305 N 2.02 0.85 3.46 1.50 0.00 -0.86 -1.97 105.19 110.19 1qe3 n GLY 305 Ca -0.19 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1qe3 n GLY 305 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qe3 s THR 306 N -2.29 0.00 0.18 2.61 -4.23 -1.16 -0.95 115.64 109.80 1qe3 s THR 306 Ca 0.09 -1.62 0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1qe3 s THR 306 Cb -0.01 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1qe3 s THR 306 CO 0.01 0.00 0.29 0.42 -0.54 0.00 0.00 174.62 174.80 1qe3 s THR 307 N -3.52 5.19 0.27 3.99 -4.23 -1.26 -0.68 115.64 115.41 1qe3 s THR 307 Ca 0.30 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1qe3 s THR 307 Cb 0.01 -3.72 0.05 0.00 1.34 0.00 0.00 72.50 70.17 1qe3 s THR 307 CO 0.16 -0.18 1.69 -0.09 -0.54 0.00 0.00 174.62 175.67 1qe3 h ARG 308 N 1.85 0.43 -0.84 3.99 2.43 -1.08 -3.30 114.38 117.85 1qe3 h ARG 308 Ca -0.49 -0.18 -0.57 0.00 -0.81 0.00 0.00 59.98 57.93 1qe3 h ARG 308 Cb 1.21 -0.01 -0.42 0.00 -0.42 0.00 0.00 29.97 30.33 1qe3 h ARG 308 CO 0.66 0.71 -0.65 -0.25 -1.51 0.00 0.00 179.97 178.92 1qe3 n ASP 309 N -4.08 5.17 -0.38 -3.80 8.00 -0.83 -4.89 116.55 115.74 1qe3 n ASP 309 Ca -0.01 -3.75 -0.09 0.00 0.71 0.00 0.00 54.79 51.65 1qe3 n ASP 309 Cb 0.45 -0.41 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 1qe3 n ASP 309 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qe3 n GLU 310 N -0.71 -0.39 0.24 -1.24 -0.58 -1.22 -1.74 120.64 115.01 1qe3 n GLU 310 Ca 0.45 1.38 0.18 0.00 -0.42 0.00 0.00 57.16 58.75 1qe3 n GLU 310 Cb 0.91 -2.03 0.85 0.00 -0.57 0.00 0.00 31.44 30.60 1qe3 n GLU 310 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1qe3 h GLY 311 N 0.00 0.00 2.00 0.62 0.00 -1.87 -2.67 103.07 101.15 1qe3 h GLY 311 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1qe3 h GLY 311 CO -0.86 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 173.96 1qe3 n TYR 312 N -3.39 0.22 0.11 5.60 4.02 -0.71 -1.98 117.16 121.04 1qe3 n TYR 312 Ca 0.01 0.09 0.01 0.00 -0.01 0.00 0.00 57.90 58.01 1qe3 n TYR 312 Cb 0.38 -0.65 -0.01 0.00 -0.02 0.00 0.00 39.34 39.04 1qe3 n TYR 312 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1qe3 h LEU 313 N 0.00 0.00 0.00 7.72 5.85 -1.67 -3.35 115.31 123.86 1qe3 h LEU 313 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1qe3 h LEU 313 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1qe3 h LEU 313 CO 0.00 0.57 -1.36 0.49 -0.34 0.00 0.00 178.44 177.79 1qe3 n PHE 314 N -3.17 0.41 -4.69 1.25 3.01 -0.84 -4.89 117.46 108.54 1qe3 n PHE 314 Ca -0.00 0.12 -0.27 0.00 1.01 0.00 0.00 57.45 58.31 1qe3 n PHE 314 Cb 0.78 -0.63 -0.17 0.00 -0.01 0.00 0.00 39.48 39.45 1qe3 n PHE 314 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1qe3 s PHE 315 N -3.37 1.79 0.33 1.38 0.40 -1.15 -5.09 117.98 112.27 1qe3 s PHE 315 Ca -0.02 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.61 1qe3 s PHE 315 Cb 0.13 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 1qe3 s PHE 315 CO 0.84 -0.35 0.50 0.95 0.70 0.00 0.00 175.22 177.86 1qe3 s THR 316 N 0.67 5.00 0.65 0.64 -4.23 -1.26 -4.74 115.64 112.36 1qe3 s THR 316 Ca -0.14 -0.64 0.26 0.00 -1.18 0.00 0.00 61.69 59.99 1qe3 s THR 316 Cb -0.16 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 70.16 1qe3 s THR 316 CO 0.04 -0.46 1.78 -0.65 -0.54 0.00 0.00 174.62 174.79 1qe3 h PRO 317 N 0.84 0.00 0.00 3.99 0.11 -2.01 -1.11 132.00 133.83 1qe3 h PRO 317 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1qe3 h PRO 317 Cb 1.23 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1qe3 h PRO 317 CO 0.60 0.00 -0.42 -0.25 -0.21 0.00 0.00 178.00 177.72 1qe3 n ASP 318 N -3.02 1.59 -4.53 -2.05 8.00 -1.26 -5.08 116.55 110.20 1qe3 n ASP 318 Ca 0.01 -3.11 -0.28 0.00 0.71 0.00 0.00 54.79 52.12 1qe3 n ASP 318 Cb 0.55 -0.42 0.13 0.00 -0.02 0.00 0.00 41.12 41.37 1qe3 n ASP 318 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1qe3 s SER 319 N -2.65 3.91 0.41 -2.24 1.04 -0.42 -5.00 113.70 108.75 1qe3 s SER 319 Ca 0.31 0.34 -0.24 0.00 0.48 0.00 0.00 55.95 56.84 1qe3 s SER 319 Cb 0.30 -0.64 -0.12 0.00 0.10 0.00 0.00 66.02 65.66 1qe3 s SER 319 CO -0.04 -2.22 0.82 0.47 0.98 0.00 0.00 173.24 173.24 1qe3 n ASP 320 N -3.39 0.36 -4.09 7.02 8.00 -1.26 -4.95 116.55 118.24 1qe3 n ASP 320 Ca 0.12 1.00 -0.34 0.00 0.71 0.00 0.00 54.79 56.28 1qe3 n ASP 320 Cb 0.60 -1.24 -0.13 0.00 -0.02 0.00 0.00 41.12 40.33 1qe3 n ASP 320 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qe3 s VAL 321 N -1.33 2.89 0.00 2.53 1.01 -1.26 -4.96 120.40 119.28 1qe3 s VAL 321 Ca 0.63 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 60.49 1qe3 s VAL 321 Cb -0.60 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1qe3 s VAL 321 CO 0.57 -0.62 0.00 1.41 0.00 0.00 0.00 175.10 176.47 1qe3 n HIS 322 N 4.47 0.00 0.00 5.22 8.25 -1.26 -4.94 115.22 126.96 1qe3 n HIS 322 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1qe3 n HIS 322 Cb 0.42 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1qe3 n HIS 322 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1qe3 n SER 323 N -3.16 0.00 -0.36 0.41 2.88 -1.26 -4.96 113.62 107.18 1qe3 n SER 323 Ca 0.00 0.00 0.30 0.00 -1.33 0.00 0.00 58.87 57.84 1qe3 n SER 323 Cb 0.00 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 63.97 1qe3 n SER 323 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1qe3 n GLN 324 N 0.00 -0.03 0.00 -1.46 7.27 -1.26 -0.02 117.38 121.89 1qe3 n GLN 324 Ca 0.00 0.94 0.00 0.00 0.07 0.00 0.00 57.00 58.01 1qe3 n GLN 324 Cb 0.00 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 30.79 1qe3 n GLN 324 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1qe3 n GLU 325 N -4.18 0.00 0.30 3.69 1.02 -1.26 0.91 120.64 121.13 1qe3 n GLU 325 Ca 0.30 0.51 0.20 0.00 -0.02 0.00 0.00 57.16 58.16 1qe3 n GLU 325 Cb 1.19 -1.35 0.99 0.00 -0.02 0.00 0.00 31.44 32.25 1qe3 n GLU 325 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1qe3 h THR 326 N 0.00 0.00 0.21 2.62 1.35 -1.26 -2.59 112.91 113.25 1qe3 h THR 326 Ca 0.00 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1qe3 h THR 326 Cb 0.00 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1qe3 h THR 326 CO 0.00 0.00 -0.10 0.25 -0.25 0.00 0.00 175.52 175.42 1qe3 h LEU 327 N 0.00 -0.24 -1.54 3.87 5.85 0.24 -2.13 115.31 121.36 1qe3 h LEU 327 Ca 0.00 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1qe3 h LEU 327 Cb 0.18 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1qe3 h LEU 327 CO 0.00 0.24 -0.06 0.44 -0.34 0.00 0.00 178.44 178.72 1qe3 h ASP 328 N -0.82 0.20 -0.42 1.25 3.32 0.71 -1.31 116.42 119.34 1qe3 h ASP 328 Ca -0.03 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1qe3 h ASP 328 Cb 0.51 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1qe3 h ASP 328 CO 0.05 0.30 0.09 0.00 -1.72 0.00 0.00 179.24 177.95 1qe3 h ALA 329 N 1.73 1.23 -0.24 3.45 0.00 -1.46 -2.02 119.26 121.95 1qe3 h ALA 329 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1qe3 h ALA 329 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qe3 h ALA 329 CO 0.01 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.76 1qe3 h ALA 330 N 1.37 0.33 -0.56 0.00 0.00 -0.55 -1.82 119.26 118.04 1qe3 h ALA 330 Ca 0.16 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1qe3 h ALA 330 Cb 0.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1qe3 h ALA 330 CO 0.00 0.10 0.35 -0.07 0.00 0.00 0.00 179.25 179.63 1qe3 h LEU 331 N 0.21 0.57 -0.79 0.00 3.38 -1.14 -0.33 115.31 117.21 1qe3 h LEU 331 Ca 0.07 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1qe3 h LEU 331 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1qe3 h LEU 331 CO 0.02 0.40 -0.29 -0.08 0.09 0.00 0.00 178.44 178.59 1qe3 h GLU 332 N 0.69 0.59 -0.46 1.13 4.81 -1.35 0.46 114.58 120.45 1qe3 h GLU 332 Ca 0.22 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1qe3 h GLU 332 Cb -0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1qe3 h GLU 332 CO -0.09 0.81 -0.14 -0.92 -0.73 0.00 0.00 179.01 177.95 1qe3 h TYR 333 N 0.51 0.95 0.00 0.92 3.20 -0.85 0.14 116.97 121.84 1qe3 h TYR 333 Ca 0.07 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1qe3 h TYR 333 Cb 0.75 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1qe3 h TYR 333 CO 0.03 0.93 -0.86 1.28 -1.64 0.00 0.00 178.16 177.90 1qe3 n LEU 334 N -4.14 0.66 0.00 2.82 4.77 -0.18 -4.57 117.00 116.36 1qe3 n LEU 334 Ca 0.01 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1qe3 n LEU 334 Cb 0.39 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1qe3 n LEU 334 CO 0.44 -0.02 -0.13 0.18 -1.33 0.00 0.00 177.39 176.53 1qe3 n LEU 335 N -2.09 0.00 0.00 2.23 4.77 0.14 -5.06 117.00 116.99 1qe3 n LEU 335 Ca 0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1qe3 n LEU 335 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1qe3 n LEU 335 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1qe3 n GLY 336 N 0.84 0.96 0.20 -0.72 0.00 0.49 -4.35 105.19 102.61 1qe3 n GLY 336 Ca 0.00 -1.62 -0.07 0.00 0.00 0.00 0.00 46.02 44.33 1qe3 n GLY 336 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qe3 h LYS 337 N 0.00 -0.10 -0.35 1.61 3.64 -1.89 0.04 116.57 119.51 1qe3 h LYS 337 Ca 0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1qe3 h LYS 337 Cb 0.00 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1qe3 h LYS 337 CO 0.00 -0.07 0.11 -1.00 -2.27 0.00 0.00 179.45 176.22 1qe3 h PRO 338 N -0.10 0.24 -0.14 1.90 0.13 -1.96 -2.45 132.00 129.63 1qe3 h PRO 338 Ca 0.15 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 65.10 1qe3 h PRO 338 Cb 0.33 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1qe3 h PRO 338 CO -0.35 0.16 -0.62 1.25 -0.23 0.00 0.00 178.00 178.20 1qe3 h LEU 339 N 0.25 0.55 -0.94 1.56 6.46 -1.72 -3.03 115.31 118.42 1qe3 h LEU 339 Ca 0.16 -0.32 0.07 0.00 -0.12 0.00 0.00 57.88 57.68 1qe3 h LEU 339 Cb 0.15 -0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 39.85 1qe3 h LEU 339 CO -0.18 1.03 0.60 0.00 -0.62 0.00 0.00 178.44 179.27 1qe3 h ALA 340 N 0.97 1.33 -0.43 1.25 0.00 -0.70 0.79 119.26 122.47 1qe3 h ALA 340 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1qe3 h ALA 340 Cb 1.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1qe3 h ALA 340 CO 0.11 0.33 -0.19 0.93 0.00 0.00 0.00 179.25 180.43 1qe3 h GLU 341 N 1.06 0.88 0.00 0.00 5.08 -1.39 0.31 114.58 120.52 1qe3 h GLU 341 Ca 0.42 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1qe3 h GLU 341 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1qe3 h GLU 341 CO -0.19 1.03 -0.35 0.87 -1.00 0.00 0.00 179.01 179.37 1qe3 h LYS 342 N 0.71 0.00 0.00 2.33 1.57 -1.25 -3.18 116.57 116.75 1qe3 h LYS 342 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1qe3 h LYS 342 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1qe3 h LYS 342 CO 0.06 0.35 -1.21 0.00 -0.57 0.00 0.00 179.45 178.07 1qe3 n ALA 343 N -2.32 3.92 -0.34 3.86 0.00 0.20 -4.41 120.51 121.42 1qe3 n ALA 343 Ca -0.01 -0.52 0.24 0.00 0.00 0.00 0.00 53.44 53.15 1qe3 n ALA 343 Cb 0.46 -0.83 0.51 0.00 0.00 0.00 0.00 19.45 19.59 1qe3 n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qe3 h ALA 344 N 2.65 2.24 -0.69 0.00 0.00 -0.91 0.14 119.26 122.70 1qe3 h ALA 344 Ca 0.00 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1qe3 h ALA 344 Cb 0.67 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1qe3 h ALA 344 CO 0.00 -0.69 0.49 0.22 0.00 0.00 0.00 179.25 179.26 1qe3 h ASP 345 N 0.37 0.12 1.26 0.00 -0.00 -1.78 -1.52 116.42 114.86 1qe3 h ASP 345 Ca 0.64 0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 57.63 1qe3 h ASP 345 Cb 1.63 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 40.94 1qe3 h ASP 345 CO -0.35 0.06 -0.21 -0.07 -0.00 0.00 0.00 179.24 178.67 1qe3 h LEU 346 N 0.12 0.00 -5.85 2.28 3.38 -1.02 -3.38 115.31 110.84 1qe3 h LEU 346 Ca 0.34 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.72 1qe3 h LEU 346 Cb 1.15 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.48 1qe3 h LEU 346 CO -0.04 0.21 -0.67 -1.22 0.09 0.00 0.00 178.44 176.80 1qe3 n TYR 347 N -3.26 3.38 -1.89 1.13 4.02 -0.57 -4.98 117.16 114.99 1qe3 n TYR 347 Ca 0.01 -4.05 -0.42 0.00 -0.01 0.00 0.00 57.90 53.44 1qe3 n TYR 347 Cb 0.49 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.27 1qe3 n TYR 347 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1qe3 s PRO 348 N -2.75 4.19 -0.33 -0.72 0.04 -1.26 -4.78 135.00 129.40 1qe3 s PRO 348 Ca 0.43 2.41 -0.31 0.00 0.04 0.00 0.00 61.00 63.56 1qe3 s PRO 348 Cb 0.21 -3.23 -0.13 0.00 0.04 0.00 0.00 34.50 31.38 1qe3 s PRO 348 CO -0.07 -0.66 1.06 -2.13 0.04 0.00 0.00 177.00 175.25 1qe3 n ARG 349 N 4.30 0.00 0.00 4.56 0.63 -1.26 -4.50 116.66 120.39 1qe3 n ARG 349 Ca 0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1qe3 n ARG 349 Cb 0.38 -0.99 0.00 0.00 0.45 0.00 0.00 32.46 32.30 1qe3 n ARG 349 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1qe3 n SER 350 N 2.67 0.00 -0.16 6.15 3.41 -1.26 -4.95 113.62 119.48 1qe3 n SER 350 Ca 0.21 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.75 1qe3 n SER 350 Cb -0.04 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1qe3 n SER 350 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1qe3 h LEU 351 N 0.00 0.53 -0.61 1.04 5.85 -1.93 -2.06 115.31 118.13 1qe3 h LEU 351 Ca 0.00 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1qe3 h LEU 351 Cb 0.00 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1qe3 h LEU 351 CO 0.00 0.38 0.27 -0.08 -0.34 0.00 0.00 178.44 178.67 1qe3 h GLU 352 N 0.63 0.48 -0.60 1.25 4.81 -1.95 -2.07 114.58 117.13 1qe3 h GLU 352 Ca 0.19 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1qe3 h GLU 352 Cb -0.03 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1qe3 h GLU 352 CO -0.06 0.31 0.08 0.77 -0.73 0.00 0.00 179.01 179.39 1qe3 h SER 353 N 0.49 0.96 0.36 1.04 0.02 -1.65 -1.18 113.55 113.59 1qe3 h SER 353 Ca 0.29 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1qe3 h SER 353 Cb 0.30 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1qe3 h SER 353 CO -0.25 0.99 -0.38 0.06 -1.14 0.00 0.00 176.83 176.10 1qe3 h GLN 354 N 0.90 0.03 -0.17 3.45 3.07 -1.06 0.18 115.11 121.50 1qe3 h GLN 354 Ca 0.18 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 58.79 1qe3 h GLN 354 Cb 0.44 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.00 1qe3 h GLN 354 CO 0.01 0.41 -0.34 0.82 0.09 0.00 0.00 178.83 179.83 1qe3 h ILE 355 N 0.03 1.34 -0.22 1.86 2.04 -1.14 -2.60 117.51 118.82 1qe3 h ILE 355 Ca -0.00 -1.58 -0.08 0.00 1.00 0.00 0.00 64.86 64.20 1qe3 h ILE 355 Cb 0.69 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1qe3 h ILE 355 CO 0.05 0.48 -0.19 0.45 0.00 0.00 0.00 178.15 178.94 1qe3 h HIS 356 N 0.18 0.43 -0.57 1.37 3.86 -0.86 -1.86 115.15 117.69 1qe3 h HIS 356 Ca 0.01 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1qe3 h HIS 356 Cb 0.94 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.27 1qe3 h HIS 356 CO 0.09 0.57 0.28 0.52 0.86 0.00 0.00 177.93 180.26 1qe3 h MET 357 N 0.36 0.82 0.24 2.45 2.86 -0.58 0.14 114.93 121.22 1qe3 h MET 357 Ca 0.06 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1qe3 h MET 357 Cb 0.55 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1qe3 h MET 357 CO 0.04 0.66 -0.12 1.98 1.06 0.00 0.00 176.91 180.53 1qe3 h MET 358 N 0.78 -0.32 0.18 1.72 -1.53 -1.06 0.87 114.93 115.57 1qe3 h MET 358 Ca 0.20 0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.48 1qe3 h MET 358 Cb 0.11 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 1qe3 h MET 358 CO -0.03 -0.13 -0.12 1.15 0.14 0.00 0.00 176.91 177.92 1qe3 h THR 359 N -0.43 0.73 -0.23 -0.77 2.02 -1.20 -2.06 112.91 110.98 1qe3 h THR 359 Ca -0.03 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1qe3 h THR 359 Cb 0.33 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1qe3 h THR 359 CO 0.06 0.00 -0.13 0.44 0.37 0.00 0.00 175.52 176.25 1qe3 h ASP 360 N -0.30 0.51 0.52 4.18 3.32 -0.72 -0.13 116.42 123.79 1qe3 h ASP 360 Ca -0.01 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 1qe3 h ASP 360 Cb 0.26 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1qe3 h ASP 360 CO 0.00 0.82 -1.54 0.18 -1.72 0.00 0.00 179.24 176.99 1qe3 n LEU 361 N -4.49 0.49 -0.00 1.55 4.77 0.30 -0.09 117.00 119.53 1qe3 n LEU 361 Ca -0.05 0.20 0.08 0.00 -0.03 0.00 0.00 56.01 56.22 1qe3 n LEU 361 Cb 0.36 0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1qe3 n LEU 361 CO 0.40 -0.00 -0.66 0.18 -1.33 0.00 0.00 177.39 175.98 1qe3 n LEU 362 N -2.58 0.17 0.07 2.23 7.99 -0.78 -4.59 117.00 119.51 1qe3 n LEU 362 Ca -0.06 0.07 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1qe3 n LEU 362 Cb 0.66 0.05 0.00 0.00 -0.11 0.00 0.00 43.42 44.02 1qe3 n LEU 362 CO 0.43 0.03 0.00 0.49 -1.51 0.00 0.00 177.39 176.83 1qe3 n PHE 363 N -2.40 -0.68 0.34 -1.77 3.01 -1.15 -4.76 117.46 110.05 1qe3 n PHE 363 Ca -0.07 0.12 -0.17 0.00 1.01 0.00 0.00 57.45 58.35 1qe3 n PHE 363 Cb 0.64 0.16 -0.08 0.00 -0.01 0.00 0.00 39.48 40.18 1qe3 n PHE 363 CO 0.00 0.00 0.00 2.35 1.01 0.00 0.00 176.76 180.12 1qe3 h TRP 364 N 0.00 -0.78 -0.49 1.38 7.01 -1.04 -1.69 115.95 120.34 1qe3 h TRP 364 Ca 0.00 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.02 1qe3 h TRP 364 Cb 0.00 0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 1qe3 h TRP 364 CO 0.00 -0.45 0.25 -0.09 -2.79 0.00 0.00 178.44 175.36 1qe3 h ARG 365 N -0.97 0.48 -0.92 2.65 2.43 -0.75 -0.42 114.38 116.89 1qe3 h ARG 365 Ca -0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1qe3 h ARG 365 Cb 0.68 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.08 1qe3 h ARG 365 CO 0.14 0.32 0.58 -1.35 -1.51 0.00 0.00 179.97 178.15 1qe3 h PRO 366 N 0.49 1.23 -0.39 0.20 0.11 -1.78 0.30 132.00 132.16 1qe3 h PRO 366 Ca 0.21 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 1qe3 h PRO 366 Cb 0.11 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1qe3 h PRO 366 CO -0.14 0.84 0.10 0.00 -0.21 0.00 0.00 178.00 178.59 1qe3 h ALA 367 N 1.32 0.52 -0.54 -0.75 0.00 -0.62 -0.32 119.26 118.87 1qe3 h ALA 367 Ca 0.33 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1qe3 h ALA 367 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1qe3 h ALA 367 CO -0.07 0.19 -0.09 0.28 0.00 0.00 0.00 179.25 179.56 1qe3 h VAL 368 N 0.49 1.27 -0.58 0.00 2.07 -0.84 -0.18 116.25 118.47 1qe3 h VAL 368 Ca 0.12 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1qe3 h VAL 368 Cb 0.30 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1qe3 h VAL 368 CO -0.00 0.44 0.22 0.00 0.02 0.00 0.00 177.57 178.24 1qe3 h ALA 369 N 0.99 0.76 -0.18 1.67 0.00 -0.73 0.27 119.26 122.05 1qe3 h ALA 369 Ca 0.14 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1qe3 h ALA 369 Cb 0.64 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1qe3 h ALA 369 CO 0.04 0.39 -0.17 -0.92 0.00 0.00 0.00 179.25 178.60 1qe3 h TYR 370 N 0.81 0.51 -0.76 0.00 3.20 -0.89 -1.54 116.97 118.30 1qe3 h TYR 370 Ca 0.19 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1qe3 h TYR 370 Cb 0.23 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1qe3 h TYR 370 CO 0.01 0.79 0.40 0.00 -1.64 0.00 0.00 178.16 177.72 1qe3 h ALA 371 N 0.63 0.97 -0.32 1.82 0.00 -0.97 -0.89 119.26 120.50 1qe3 h ALA 371 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1qe3 h ALA 371 Cb 0.70 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1qe3 h ALA 371 CO 0.04 0.50 0.16 0.77 0.00 0.00 0.00 179.25 180.72 1qe3 h SER 372 N 1.05 0.42 -0.20 0.00 0.02 -0.87 -1.12 113.55 112.85 1qe3 h SER 372 Ca 0.26 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1qe3 h SER 372 Cb 0.06 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1qe3 h SER 372 CO -0.04 0.41 0.11 0.00 -1.14 0.00 0.00 176.83 176.17 1qe3 h ALA 373 N 1.02 0.26 0.00 3.77 0.00 -0.98 -2.82 119.26 120.51 1qe3 h ALA 373 Ca 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1qe3 h ALA 373 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1qe3 h ALA 373 CO -0.02 -0.20 -0.17 0.37 0.00 0.00 0.00 179.25 179.24 1qe3 h GLN 374 N 0.21 0.00 0.00 0.00 5.75 -1.07 -3.01 115.11 116.99 1qe3 h GLN 374 Ca 0.07 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1qe3 h GLN 374 Cb 0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1qe3 h GLN 374 CO -0.01 0.17 0.00 -1.13 -2.65 0.00 0.00 178.83 175.21 1qe3 n SER 375 N -3.48 0.60 -0.41 -0.69 3.41 -0.43 -0.79 113.62 111.82 1qe3 n SER 375 Ca -0.01 0.75 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1qe3 n SER 375 Cb 0.34 -0.84 0.35 0.00 -0.26 0.00 0.00 64.21 63.80 1qe3 n SER 375 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qe3 n HIS 376 N -2.28 0.00 -0.16 7.33 8.25 -1.14 -4.34 115.22 122.89 1qe3 n HIS 376 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1qe3 n HIS 376 Cb 0.07 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1qe3 n HIS 376 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1qe3 n TYR 377 N -0.14 0.00 -3.71 4.41 4.02 0.03 -5.07 117.16 116.69 1qe3 n TYR 377 Ca 0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.99 1qe3 n TYR 377 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.69 1qe3 n TYR 377 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qe3 s ALA 378 N -0.30 -1.71 0.33 -0.72 0.00 -0.58 -0.90 121.76 117.88 1qe3 s ALA 378 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 1qe3 s ALA 378 Cb 0.00 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.61 1qe3 s ALA 378 CO 0.00 -0.99 1.31 -2.14 0.00 0.00 0.00 175.76 173.93 1qe3 s PRO 379 N -3.22 4.36 -0.01 0.00 0.02 -1.26 -4.33 135.00 130.56 1qe3 s PRO 379 Ca 0.11 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.36 1qe3 s PRO 379 Cb -0.01 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.43 1qe3 s PRO 379 CO 0.00 -0.19 -0.08 0.08 -0.33 0.00 0.00 177.00 176.49 1qe3 s VAL 380 N -1.08 0.62 -0.07 3.83 1.01 -1.26 -1.33 120.40 122.12 1qe3 s VAL 380 Ca 0.49 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1qe3 s VAL 380 Cb -0.40 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1qe3 s VAL 380 CO 0.52 0.18 -0.07 0.26 0.00 0.00 0.00 175.10 175.99 1qe3 s TRP 381 N -0.07 1.15 0.03 5.22 0.52 0.16 0.07 118.94 126.02 1qe3 s TRP 381 Ca 0.01 -0.44 0.08 0.00 0.02 0.00 0.00 56.10 55.77 1qe3 s TRP 381 Cb -0.04 -0.95 -0.03 0.00 -1.15 0.00 0.00 33.47 31.30 1qe3 s TRP 381 CO -0.00 -0.31 -0.21 1.41 0.02 0.00 0.00 176.95 177.86 1qe3 s MET 382 N 1.12 2.01 0.16 4.98 1.75 -1.26 -0.89 119.30 127.17 1qe3 s MET 382 Ca -0.07 -1.00 0.01 0.00 -1.25 0.00 0.00 55.69 53.37 1qe3 s MET 382 Cb -0.14 -2.13 -0.04 0.00 2.84 0.00 0.00 34.83 35.36 1qe3 s MET 382 CO -0.01 0.54 0.02 1.52 -0.65 0.00 0.00 175.02 176.44 1qe3 s TYR 383 N -0.86 1.12 -0.03 4.11 -0.85 -0.83 -1.54 117.35 118.46 1qe3 s TYR 383 Ca 0.13 -1.09 -0.00 0.00 -0.52 0.00 0.00 57.07 55.59 1qe3 s TYR 383 Cb -0.10 -0.64 0.03 0.00 0.38 0.00 0.00 41.96 41.63 1qe3 s TYR 383 CO 0.04 -0.31 0.02 0.50 -1.52 0.00 0.00 175.55 174.28 1qe3 s ARG 384 N -3.96 0.20 -0.34 -3.49 3.52 -0.21 -2.99 118.95 111.68 1qe3 s ARG 384 Ca 0.24 0.16 -0.19 0.00 -0.13 0.00 0.00 55.73 55.82 1qe3 s ARG 384 Cb 0.07 -0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 32.96 1qe3 s ARG 384 CO 0.04 -0.19 0.54 0.12 -0.81 0.00 0.00 175.30 174.99 1qe3 s PHE 385 N 1.34 3.19 -0.19 5.12 5.36 0.14 -0.86 117.98 132.08 1qe3 s PHE 385 Ca -0.05 0.29 0.15 0.00 -0.96 0.00 0.00 56.93 56.35 1qe3 s PHE 385 Cb -0.13 -2.94 -0.21 0.00 -0.34 0.00 0.00 43.02 39.40 1qe3 s PHE 385 CO -0.03 -0.52 0.40 -0.25 -1.46 0.00 0.00 175.22 173.37 1qe3 n ASP 386 N 5.77 1.36 -4.63 6.13 9.92 -0.42 -0.76 116.55 133.93 1qe3 n ASP 386 Ca -0.04 -0.22 -0.40 0.00 -0.53 0.00 0.00 54.79 53.61 1qe3 n ASP 386 Cb 0.49 1.51 0.03 0.00 -0.64 0.00 0.00 41.12 42.50 1qe3 n ASP 386 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1qe3 n TRP 387 N -1.84 1.22 0.00 1.24 -0.00 -1.21 -4.53 117.44 112.31 1qe3 n TRP 387 Ca -0.01 0.49 0.00 0.00 -0.00 0.00 0.00 57.50 57.98 1qe3 n TRP 387 Cb 0.35 -2.22 0.00 0.00 -0.00 0.00 0.00 31.31 29.43 1qe3 n TRP 387 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 177.69 175.30 1qe3 n HIS 388 N -0.93 0.00 -1.84 5.87 1.44 -1.26 -4.16 115.22 114.34 1qe3 n HIS 388 Ca 0.10 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.44 1qe3 n HIS 388 Cb 0.43 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.59 1qe3 n HIS 388 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1qe3 s PRO 389 N -2.00 2.84 0.11 -1.40 0.02 -1.26 -4.92 135.00 128.39 1qe3 s PRO 389 Ca 0.00 2.04 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 1qe3 s PRO 389 Cb 0.00 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 32.42 1qe3 s PRO 389 CO 0.00 -1.37 1.36 1.49 -0.33 0.00 0.00 177.00 178.15 1qe3 h GLU 390 N 0.90 0.79 -6.79 5.54 4.81 -1.94 -3.33 114.58 114.56 1qe3 h GLU 390 Ca -0.51 -0.54 -0.49 0.00 -0.13 0.00 0.00 59.36 57.69 1qe3 h GLU 390 Cb 1.32 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.77 1qe3 h GLU 390 CO 0.55 1.16 0.40 0.15 -0.73 0.00 0.00 179.01 180.54 1qe3 s LYS 391 N -4.02 4.72 1.00 1.92 -0.14 -1.26 -4.74 119.74 117.20 1qe3 s LYS 391 Ca -0.11 1.60 -0.12 0.00 -1.36 0.00 0.00 55.97 55.97 1qe3 s LYS 391 Cb 0.09 -3.16 0.19 0.00 -1.68 0.00 0.00 37.83 33.26 1qe3 s LYS 391 CO 0.88 0.35 1.08 -2.14 -0.76 0.00 0.00 175.35 174.76 1qe3 s PRO 392 N -1.43 0.44 0.00 -1.68 0.02 -1.26 -3.65 135.00 127.44 1qe3 s PRO 392 Ca 0.44 0.78 0.19 0.00 0.02 0.00 0.00 61.00 62.43 1qe3 s PRO 392 Cb -0.27 -1.72 0.57 0.00 0.02 0.00 0.00 34.50 33.10 1qe3 s PRO 392 CO 0.34 -2.79 1.45 -0.35 -0.33 0.00 0.00 177.00 175.32 1qe3 n PRO 393 N -4.26 2.00 -0.99 5.54 -0.04 -1.26 -4.83 135.00 131.16 1qe3 n PRO 393 Ca 0.06 -1.52 -0.04 0.00 -0.04 0.00 0.00 63.50 61.97 1qe3 n PRO 393 Cb 0.55 -1.41 0.32 0.00 -0.04 0.00 0.00 33.50 32.93 1qe3 n PRO 393 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qe3 n TYR 394 N 0.73 2.35 -1.53 0.54 4.02 -1.25 -4.75 117.16 117.28 1qe3 n TYR 394 Ca 0.17 -1.14 -0.31 0.00 -0.01 0.00 0.00 57.90 56.61 1qe3 n TYR 394 Cb 0.41 -0.65 -0.06 0.00 -0.02 0.00 0.00 39.34 39.02 1qe3 n TYR 394 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1qe3 n ASN 395 N -0.08 7.20 -3.85 7.72 6.94 -1.24 -4.02 115.26 127.94 1qe3 n ASN 395 Ca 0.39 -2.93 -0.12 0.00 -0.02 0.00 0.00 54.58 51.90 1qe3 n ASN 395 Cb 1.35 -1.37 -0.11 0.00 -2.36 0.00 0.00 39.78 37.28 1qe3 n ASN 395 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1qe3 s LYS 396 N -0.27 0.35 -1.31 -3.83 -0.14 -1.26 -4.95 119.74 108.32 1qe3 s LYS 396 Ca 0.61 -0.14 -0.12 0.00 -1.36 0.00 0.00 55.97 54.96 1qe3 s LYS 396 Cb 0.27 0.15 0.13 0.00 -1.68 0.00 0.00 37.83 36.70 1qe3 s LYS 396 CO -0.11 -0.07 1.86 0.00 -0.76 0.00 0.00 175.35 176.27 1qe3 n ALA 397 N 2.13 4.97 -0.92 5.17 0.00 -1.26 -4.74 120.51 125.85 1qe3 n ALA 397 Ca -0.18 -4.17 -0.33 0.00 0.00 0.00 0.00 53.44 48.76 1qe3 n ALA 397 Cb 0.57 -3.17 0.14 0.00 0.00 0.00 0.00 19.45 16.98 1qe3 n ALA 397 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qe3 n PHE 398 N 5.09 0.55 -1.69 0.00 3.01 -1.26 -1.95 117.46 121.21 1qe3 n PHE 398 Ca 0.43 0.37 -0.42 0.00 1.01 0.00 0.00 57.45 58.84 1qe3 n PHE 398 Cb 0.39 -2.01 -0.00 0.00 -0.01 0.00 0.00 39.48 37.85 1qe3 n PHE 398 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1qe3 n HIS 399 N -3.62 2.11 -0.59 1.38 -0.00 -1.17 -1.77 115.22 111.57 1qe3 n HIS 399 Ca 0.12 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 1qe3 n HIS 399 Cb 0.51 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 1qe3 n HIS 399 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qe3 n ALA 400 N 0.12 0.00 0.32 1.57 0.00 -1.26 -4.88 120.51 116.39 1qe3 n ALA 400 Ca 0.06 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.71 1qe3 n ALA 400 Cb 0.37 -0.33 1.05 0.00 0.00 0.00 0.00 19.45 20.54 1qe3 n ALA 400 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qe3 h LEU 401 N 0.00 0.00 0.00 0.00 5.85 -1.69 -2.21 115.31 117.26 1qe3 h LEU 401 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1qe3 h LEU 401 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1qe3 h LEU 401 CO 0.00 0.00 -0.08 1.05 -0.34 0.00 0.00 178.44 179.07 1qe3 h GLU 402 N 0.00 0.00 -0.46 1.25 9.09 -1.90 -3.37 114.58 119.19 1qe3 h GLU 402 Ca -0.00 0.00 0.09 0.00 0.05 0.00 0.00 59.36 59.50 1qe3 h GLU 402 Cb 0.17 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.19 1qe3 h GLU 402 CO 0.00 0.00 -0.02 -0.07 0.05 0.00 0.00 179.01 178.97 1qe3 h LEU 403 N 0.00 -0.24 -1.46 3.06 3.38 -1.81 -1.11 115.31 117.12 1qe3 h LEU 403 Ca 0.00 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.14 1qe3 h LEU 403 Cb 0.93 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1qe3 h LEU 403 CO 0.00 -0.08 0.43 -0.65 0.09 0.00 0.00 178.44 178.23 1qe3 h PRO 404 N 0.09 0.65 -0.29 1.13 0.11 -1.79 -1.87 132.00 130.02 1qe3 h PRO 404 Ca 0.23 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.12 1qe3 h PRO 404 Cb 0.34 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 1qe3 h PRO 404 CO -0.40 0.43 -0.51 0.74 -0.21 0.00 0.00 178.00 178.04 1qe3 h PHE 405 N 0.67 1.03 -0.17 0.65 -1.00 -1.51 1.00 116.94 117.61 1qe3 h PHE 405 Ca 0.28 -0.35 -0.01 0.00 2.81 0.00 0.00 57.97 60.70 1qe3 h PHE 405 Cb 0.25 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1qe3 h PHE 405 CO -0.00 1.16 0.06 0.28 -1.61 0.00 0.00 178.31 178.21 1qe3 h VAL 406 N 0.64 1.16 0.00 -0.55 2.07 -0.66 -3.19 116.25 115.74 1qe3 h VAL 406 Ca 0.02 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1qe3 h VAL 406 Cb 1.11 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1qe3 h VAL 406 CO 0.11 0.16 -0.33 -0.26 0.02 0.00 0.00 177.57 177.27 1qe3 h PHE 407 N 0.11 0.00 0.00 1.57 -1.00 -1.39 -3.42 116.94 112.82 1qe3 h PHE 407 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1qe3 h PHE 407 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1qe3 h PHE 407 CO -0.01 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.10 1qe3 n GLY 408 N 1.24 0.73 3.39 -1.45 0.00 0.31 -4.04 105.19 105.37 1qe3 n GLY 408 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1qe3 n GLY 408 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qe3 s ASN 409 N -2.46 6.64 0.00 1.61 0.01 -0.96 -4.88 114.94 114.91 1qe3 s ASN 409 Ca 0.00 -2.26 0.27 0.00 -0.71 0.00 0.00 52.86 50.16 1qe3 s ASN 409 Cb 0.00 -2.31 0.89 0.00 0.41 0.00 0.00 41.25 40.24 1qe3 s ASN 409 CO 0.00 -0.86 1.65 0.18 -1.51 0.00 0.00 177.10 176.56 1qe3 n LEU 410 N 5.44 1.45 0.08 0.60 4.77 -1.26 -4.34 117.00 123.73 1qe3 n LEU 410 Ca 0.16 -0.46 0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1qe3 n LEU 410 Cb 0.48 -0.04 0.65 0.00 -2.33 0.00 0.00 43.42 42.17 1qe3 n LEU 410 CO 0.44 0.25 1.15 0.44 -1.33 0.00 0.00 177.39 178.33 1qe3 h ASP 411 N 2.13 0.05 -0.12 -1.43 3.32 -1.95 -0.49 116.42 117.93 1qe3 h ASP 411 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1qe3 h ASP 411 Cb 0.53 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1qe3 h ASP 411 CO 0.00 0.03 0.10 1.23 -1.72 0.00 0.00 179.24 178.88 1qe3 h GLY 412 N 0.06 0.00 0.00 2.75 0.00 -2.00 -3.50 103.07 100.38 1qe3 h GLY 412 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1qe3 h GLY 412 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 1qe3 n LEU 413 N -4.23 0.00 -3.29 3.11 4.77 -0.20 -5.19 117.00 111.98 1qe3 n LEU 413 Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1qe3 n LEU 413 Cb 0.21 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1qe3 n LEU 413 CO 0.32 0.00 -0.03 -0.63 -1.33 0.00 0.00 177.39 175.72 1qe3 s ILE 421 N 0.26 -0.69 0.69 -0.08 1.01 -1.26 -5.15 121.20 115.98 1qe3 s ILE 421 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 1qe3 s ILE 421 Cb 0.00 -0.94 0.11 0.00 0.01 0.00 0.00 42.46 41.64 1qe3 s ILE 421 CO 0.00 -0.19 0.96 -0.89 0.00 0.00 0.00 174.94 174.82 1qe3 s THR 422 N 2.59 2.21 0.25 2.92 2.01 -1.26 -4.96 115.64 119.40 1qe3 s THR 422 Ca 0.12 -0.62 0.12 0.00 0.31 0.00 0.00 61.69 61.62 1qe3 s THR 422 Cb -0.13 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.79 1qe3 s THR 422 CO -0.25 0.00 1.63 0.44 -0.69 0.00 0.00 174.62 175.75 1qe3 h ASP 423 N -0.42 0.00 0.48 3.53 3.32 -2.05 -2.50 116.42 118.78 1qe3 h ASP 423 Ca -0.37 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 1qe3 h ASP 423 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1qe3 h ASP 423 CO 0.42 0.58 -0.59 -0.33 -1.72 0.00 0.00 179.24 177.59 1qe3 h GLU 424 N 0.00 0.11 -0.13 3.56 3.07 -1.98 0.81 114.58 120.03 1qe3 h GLU 424 Ca -0.01 -0.08 -0.06 0.00 -0.50 0.00 0.00 59.36 58.72 1qe3 h GLU 424 Cb 1.06 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1qe3 h GLU 424 CO 0.07 0.67 -0.14 0.28 -1.40 0.00 0.00 179.01 178.50 1qe3 h VAL 425 N 0.09 1.36 -0.31 3.13 2.07 -1.89 -0.96 116.25 119.72 1qe3 h VAL 425 Ca -0.01 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 1qe3 h VAL 425 Cb 1.07 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1qe3 h VAL 425 CO 0.08 0.38 -0.04 0.11 0.02 0.00 0.00 177.57 178.13 1qe3 h LYS 426 N -0.07 0.49 -0.33 1.57 1.57 -1.34 -1.76 116.57 116.69 1qe3 h LYS 426 Ca 0.02 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1qe3 h LYS 426 Cb 0.68 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1qe3 h LYS 426 CO 0.03 0.55 -0.02 0.37 -0.57 0.00 0.00 179.45 179.82 1qe3 h GLN 427 N 0.47 0.60 -0.58 3.15 5.75 -0.69 -1.43 115.11 122.37 1qe3 h GLN 427 Ca 0.10 -0.20 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 1qe3 h GLN 427 Cb 0.37 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1qe3 h GLN 427 CO 0.02 0.74 0.09 1.25 -2.65 0.00 0.00 178.83 178.27 1qe3 h LEU 428 N 0.40 0.89 -0.68 -2.39 5.85 -0.87 -1.56 115.31 116.94 1qe3 h LEU 428 Ca 0.09 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 1qe3 h LEU 428 Cb 0.48 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1qe3 h LEU 428 CO 0.02 0.90 0.16 -1.28 -0.34 0.00 0.00 178.44 177.90 1qe3 h SER 429 N 0.88 1.04 -0.55 1.25 0.87 -1.18 -0.34 113.55 115.53 1qe3 h SER 429 Ca 0.18 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1qe3 h SER 429 Cb 0.40 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1qe3 h SER 429 CO 0.01 1.01 0.20 -0.74 -0.53 0.00 0.00 176.83 176.78 1qe3 h HIS 430 N 1.03 0.86 0.01 2.24 -0.00 -0.84 0.14 115.15 118.60 1qe3 h HIS 430 Ca 0.21 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1qe3 h HIS 430 Cb 0.38 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1qe3 h HIS 430 CO 0.03 0.72 -0.01 1.15 -0.00 0.00 0.00 177.93 179.82 1qe3 h THR 431 N 0.76 1.06 -0.03 6.26 2.02 -0.93 -0.54 112.91 121.51 1qe3 h THR 431 Ca 0.18 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1qe3 h THR 431 Cb 0.24 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1qe3 h THR 431 CO -0.01 0.06 -0.00 0.40 0.37 0.00 0.00 175.52 176.33 1qe3 h ILE 432 N -0.11 1.26 -0.62 3.11 2.04 -0.95 -2.86 117.51 119.38 1qe3 h ILE 432 Ca -0.00 -0.79 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1qe3 h ILE 432 Cb 0.11 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1qe3 h ILE 432 CO 0.00 0.21 0.37 -0.61 0.00 0.00 0.00 178.15 178.12 1qe3 h GLN 433 N -0.27 0.84 -0.93 2.37 4.15 -0.74 -2.00 115.11 118.53 1qe3 h GLN 433 Ca 0.01 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 1qe3 h GLN 433 Cb 0.34 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 1qe3 h GLN 433 CO 0.00 0.59 0.55 0.77 -1.93 0.00 0.00 178.83 178.82 1qe3 h SER 434 N 0.85 1.11 -0.42 -0.69 0.02 -1.01 -0.69 113.55 112.73 1qe3 h SER 434 Ca 0.22 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1qe3 h SER 434 Cb -0.03 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 1qe3 h SER 434 CO -0.04 0.86 -0.24 0.00 -1.14 0.00 0.00 176.83 176.26 1qe3 h ALA 435 N 1.33 0.59 -0.79 3.77 0.00 -1.15 -0.65 119.26 122.36 1qe3 h ALA 435 Ca 0.33 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1qe3 h ALA 435 Cb -0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1qe3 h ALA 435 CO -0.06 0.59 0.34 -1.49 0.00 0.00 0.00 179.25 178.62 1qe3 h TRP 436 N 0.72 1.18 -0.15 0.00 -0.00 -1.00 -1.16 115.95 115.54 1qe3 h TRP 436 Ca 0.09 -0.08 -0.04 0.00 -0.00 0.00 0.00 58.89 58.86 1qe3 h TRP 436 Cb 0.82 -0.36 -0.00 0.00 -0.00 0.00 0.00 29.16 29.62 1qe3 h TRP 436 CO 0.06 0.88 -0.05 0.82 -0.00 0.00 0.00 178.44 180.15 1qe3 h ILE 437 N 1.14 1.30 -0.19 1.49 2.04 -0.93 -1.80 117.51 120.56 1qe3 h ILE 437 Ca 0.27 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1qe3 h ILE 437 Cb 0.18 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1qe3 h ILE 437 CO -0.03 0.30 -0.08 0.71 0.00 0.00 0.00 178.15 179.06 1qe3 h THR 438 N -0.01 1.17 -0.31 -0.27 1.35 -0.99 -1.48 112.91 112.37 1qe3 h THR 438 Ca 0.04 -0.72 -0.05 0.00 -0.55 0.00 0.00 66.41 65.13 1qe3 h THR 438 Cb 0.49 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1qe3 h THR 438 CO 0.02 0.23 0.01 0.15 -0.25 0.00 0.00 175.52 175.67 1qe3 h PHE 439 N 0.28 0.59 -0.58 4.73 3.57 -1.09 0.75 116.94 125.19 1qe3 h PHE 439 Ca 0.06 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1qe3 h PHE 439 Cb 0.33 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1qe3 h PHE 439 CO 0.01 0.66 0.39 0.00 -2.23 0.00 0.00 178.31 177.14 1qe3 h ALA 440 N 0.84 1.59 0.13 2.41 0.00 -0.71 0.30 119.26 123.82 1qe3 h ALA 440 Ca 0.09 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1qe3 h ALA 440 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qe3 h ALA 440 CO 0.01 0.38 -1.31 0.87 0.00 0.00 0.00 179.25 179.21 1qe3 h LYS 441 N 0.79 0.28 0.00 0.00 1.57 -1.02 -3.42 116.57 114.77 1qe3 h LYS 441 Ca 0.21 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1qe3 h LYS 441 Cb -0.09 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1qe3 h LYS 441 CO -0.05 1.21 -0.30 0.25 -0.57 0.00 0.00 179.45 179.99 1qe3 n THR 442 N -3.52 0.00 -0.56 -0.16 -2.24 0.23 -5.01 114.28 103.01 1qe3 n THR 442 Ca -0.10 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1qe3 n THR 442 Cb 1.03 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 1qe3 n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qe3 n GLY 443 N 1.13 0.78 2.93 3.38 0.00 0.11 -5.01 105.19 108.50 1qe3 n GLY 443 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1qe3 n GLY 443 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qe3 s ASN 444 N -2.89 2.07 0.00 1.61 3.84 -1.26 -4.87 114.94 113.44 1qe3 s ASN 444 Ca 0.00 -0.30 0.04 0.00 0.21 0.00 0.00 52.86 52.81 1qe3 s ASN 444 Cb 0.00 -0.84 0.17 0.00 -0.55 0.00 0.00 41.25 40.04 1qe3 s ASN 444 CO 0.00 -0.08 1.12 -0.81 -2.79 0.00 0.00 177.10 174.54 1qe3 n PRO 445 N 4.67 1.12 -1.94 0.43 -0.04 -1.26 -3.29 135.00 134.67 1qe3 n PRO 445 Ca -0.15 -0.18 -0.38 0.00 -0.04 0.00 0.00 63.50 62.74 1qe3 n PRO 445 Cb 0.50 -1.07 0.02 0.00 -0.04 0.00 0.00 33.50 32.91 1qe3 n PRO 445 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1qe3 s SER 446 N -1.07 5.76 0.13 3.54 0.01 -1.26 -4.49 113.70 116.32 1qe3 s SER 446 Ca 0.07 2.66 0.03 0.00 1.31 0.00 0.00 55.95 60.02 1qe3 s SER 446 Cb 0.03 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1qe3 s SER 446 CO 0.05 -1.23 0.10 0.35 0.41 0.00 0.00 173.24 172.92 1qe3 n THR 447 N -0.56 0.00 0.21 1.44 -2.24 -0.32 -4.87 114.28 107.94 1qe3 n THR 447 Ca 0.08 -0.94 0.08 0.00 -2.27 0.00 0.00 64.05 61.00 1qe3 n THR 447 Cb 0.45 0.44 0.41 0.00 -2.10 0.00 0.00 70.33 69.53 1qe3 n THR 447 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qe3 h GLU 448 N 0.00 0.00 0.00 -0.78 4.39 -1.99 -2.87 114.58 113.33 1qe3 h GLU 448 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1qe3 h GLU 448 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1qe3 h GLU 448 CO 0.14 0.29 -0.32 0.00 -1.16 0.00 0.00 179.01 177.96 1qe3 h ALA 449 N 1.71 0.81 -1.97 3.43 0.00 -1.98 -3.46 119.26 117.81 1qe3 h ALA 449 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1qe3 h ALA 449 Cb 0.79 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.38 1qe3 h ALA 449 CO 0.04 0.00 -0.04 0.54 0.00 0.00 0.00 179.25 179.79 1qe3 s VAL 450 N -3.18 -0.48 -0.68 0.00 0.11 -1.08 -4.93 120.40 110.16 1qe3 s VAL 450 Ca 0.07 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.93 1qe3 s VAL 450 Cb 0.11 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 34.06 1qe3 s VAL 450 CO 0.68 0.00 0.83 0.21 -3.33 0.00 0.00 175.10 173.49 1qe3 s ASN 451 N 2.24 6.29 -0.20 3.54 2.47 -1.26 -1.17 114.94 126.85 1qe3 s ASN 451 Ca -0.08 -1.52 -0.29 0.00 0.42 0.00 0.00 52.86 51.39 1qe3 s ASN 451 Cb -0.08 -2.34 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 1qe3 s ASN 451 CO -0.19 -1.14 1.44 0.86 -3.72 0.00 0.00 177.10 174.35 1qe3 s TRP 452 N 2.82 2.43 0.30 0.43 -0.11 -1.26 -5.01 118.94 118.54 1qe3 s TRP 452 Ca 0.18 0.70 -0.28 0.00 1.22 0.00 0.00 56.10 57.92 1qe3 s TRP 452 Cb -0.19 -3.83 -0.09 0.00 -1.50 0.00 0.00 33.47 27.86 1qe3 s TRP 452 CO 0.04 -2.42 1.00 -1.25 -4.62 0.00 0.00 176.95 169.69 1qe3 s PRO 453 N 4.14 4.61 0.33 5.86 0.04 -1.26 -4.84 135.00 143.87 1qe3 s PRO 453 Ca 0.63 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 1qe3 s PRO 453 Cb -0.23 -2.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.22 1qe3 s PRO 453 CO 0.24 0.26 1.28 0.00 0.04 0.00 0.00 177.00 178.82 1qe3 s ALA 454 N -1.39 3.48 -0.19 8.56 0.00 -1.26 -4.72 121.76 126.24 1qe3 s ALA 454 Ca 0.47 1.22 -0.19 0.00 0.00 0.00 0.00 51.96 53.46 1qe3 s ALA 454 Cb -0.24 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1qe3 s ALA 454 CO 0.31 -0.58 0.54 -0.47 0.00 0.00 0.00 175.76 175.56 1qe3 s TYR 455 N -1.15 3.39 0.12 0.00 5.04 0.11 -4.57 117.35 120.29 1qe3 s TYR 455 Ca 0.48 0.83 -0.07 0.00 -2.44 0.00 0.00 57.07 55.88 1qe3 s TYR 455 Cb -0.39 -2.69 -0.02 0.00 0.35 0.00 0.00 41.96 39.21 1qe3 s TYR 455 CO 0.51 -0.09 0.18 -3.38 -1.34 0.00 0.00 175.55 171.43 1qe3 s HIS 456 N 1.59 0.43 0.01 4.97 -3.43 -1.26 -4.43 115.29 113.16 1qe3 s HIS 456 Ca 0.26 -0.83 0.30 0.00 -0.80 0.00 0.00 55.06 53.98 1qe3 s HIS 456 Cb -0.16 -0.17 1.49 0.00 -1.43 0.00 0.00 32.58 32.31 1qe3 s HIS 456 CO 0.10 -0.60 1.90 0.93 -2.00 0.00 0.00 174.74 175.08 1qe3 h GLU 457 N 2.73 0.00 0.05 -0.38 5.08 -1.94 0.46 114.58 120.58 1qe3 h GLU 457 Ca -0.33 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.76 1qe3 h GLU 457 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.47 1qe3 h GLU 457 CO 0.54 0.00 -1.09 0.93 -1.00 0.00 0.00 179.01 178.39 1qe3 h GLU 458 N 0.00 0.55 0.00 2.33 5.08 -2.00 -3.40 114.58 117.13 1qe3 h GLU 458 Ca 0.00 -0.65 -0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1qe3 h GLU 458 Cb 0.16 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1qe3 h GLU 458 CO 0.00 1.26 -1.04 0.25 -1.00 0.00 0.00 179.01 178.49 1qe3 n THR 459 N -3.77 0.02 -3.97 1.13 -2.24 -1.18 -5.05 114.28 99.22 1qe3 n THR 459 Ca -0.10 -0.02 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 1qe3 n THR 459 Cb 0.91 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 1qe3 n THR 459 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qe3 n ARG 460 N -1.72 -3.37 -2.18 -0.78 1.74 0.15 -2.39 116.66 108.10 1qe3 n ARG 460 Ca -0.00 0.41 -0.42 0.00 -0.77 0.00 0.00 57.85 57.06 1qe3 n ARG 460 Cb 0.21 -4.61 -0.03 0.00 -1.02 0.00 0.00 32.46 27.02 1qe3 n ARG 460 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1qe3 s GLU 461 N -6.57 4.26 -0.05 5.56 2.02 -1.26 -0.96 118.70 121.71 1qe3 s GLU 461 Ca 0.08 2.01 0.04 0.00 0.02 0.00 0.00 54.97 57.11 1qe3 s GLU 461 Cb -0.04 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1qe3 s GLU 461 CO 0.89 -0.62 -0.15 0.99 0.02 0.00 0.00 175.26 176.39 1qe3 s THR 462 N 2.57 1.28 -0.02 3.63 2.01 0.16 -4.46 115.64 120.80 1qe3 s THR 462 Ca 0.65 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 1qe3 s THR 462 Cb -0.32 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1qe3 s THR 462 CO 0.27 0.38 0.73 -0.69 -0.69 0.00 0.00 174.62 174.62 1qe3 s VAL 463 N 0.20 4.92 -0.39 3.82 1.01 -0.59 -0.84 120.40 128.53 1qe3 s VAL 463 Ca -0.06 1.53 -0.13 0.00 0.00 0.00 0.00 61.98 63.32 1qe3 s VAL 463 Cb -0.12 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1qe3 s VAL 463 CO 0.02 0.30 0.25 -0.63 0.00 0.00 0.00 175.10 175.04 1qe3 s ILE 464 N 0.43 4.88 -0.18 2.22 -1.09 0.33 -1.04 121.20 126.75 1qe3 s ILE 464 Ca 0.38 -0.77 -0.28 0.00 -2.23 0.00 0.00 60.65 57.76 1qe3 s ILE 464 Cb -0.19 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1qe3 s ILE 464 CO 0.20 -0.27 0.95 -0.76 -1.23 0.00 0.00 174.94 173.84 1qe3 s LEU 465 N 1.61 4.16 0.15 2.97 1.43 -0.04 -3.04 118.68 125.92 1qe3 s LEU 465 Ca 0.03 1.33 -0.23 0.00 -1.03 0.00 0.00 54.13 54.23 1qe3 s LEU 465 Cb -0.19 -3.42 0.08 0.00 0.03 0.00 0.00 46.19 42.69 1qe3 s LEU 465 CO 0.08 -0.52 1.06 -0.62 0.23 0.00 0.00 176.35 176.59 1qe3 s ASP 466 N 1.17 -0.02 0.28 2.29 2.15 -1.26 -1.30 116.67 119.98 1qe3 s ASP 466 Ca 0.43 -0.58 0.01 0.00 0.43 0.00 0.00 52.55 52.84 1qe3 s ASP 466 Cb -0.16 0.45 0.66 0.00 -0.30 0.00 0.00 42.92 43.56 1qe3 s ASP 466 CO 0.11 -0.89 1.69 0.28 -0.17 0.00 0.00 175.17 176.20 1qe3 h SER 467 N 2.00 0.25 -3.38 -0.34 0.02 -1.93 -3.31 113.55 106.86 1qe3 h SER 467 Ca -0.27 0.15 -0.66 0.00 -0.84 0.00 0.00 61.79 60.18 1qe3 h SER 467 Cb 1.22 0.15 -0.27 0.00 0.14 0.00 0.00 62.40 63.64 1qe3 h SER 467 CO 0.34 -0.01 -0.72 -1.61 -1.14 0.00 0.00 176.83 173.69 1qe3 s GLU 468 N -5.93 3.41 0.16 3.45 2.02 -1.26 -4.94 118.70 115.61 1qe3 s GLU 468 Ca -0.12 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1qe3 s GLU 468 Cb 0.24 -2.94 -0.07 0.00 0.10 0.00 0.00 34.13 31.46 1qe3 s GLU 468 CO 0.77 -0.09 1.07 0.42 0.02 0.00 0.00 175.26 177.45 1qe3 s ILE 469 N 1.19 4.02 0.23 -1.63 -1.09 -1.25 -4.92 121.20 117.76 1qe3 s ILE 469 Ca 0.02 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1qe3 s ILE 469 Cb -0.14 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1qe3 s ILE 469 CO -0.01 0.29 0.12 0.42 -1.23 0.00 0.00 174.94 174.52 1qe3 s THR 470 N -0.17 0.29 -0.03 2.92 -4.23 -1.17 -5.02 115.64 108.23 1qe3 s THR 470 Ca 0.49 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.03 1qe3 s THR 470 Cb -0.28 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1qe3 s THR 470 CO 0.33 0.00 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.68 1qe3 s ILE 471 N -3.93 0.90 -0.08 2.99 1.01 -1.26 -0.51 121.20 120.32 1qe3 s ILE 471 Ca 0.38 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.67 1qe3 s ILE 471 Cb 0.07 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 1qe3 s ILE 471 CO 0.13 0.28 -0.24 -1.61 0.00 0.00 0.00 174.94 173.50 1qe3 s GLU 472 N 0.27 2.83 -0.25 2.79 2.02 -0.02 -4.97 118.70 121.37 1qe3 s GLU 472 Ca -0.05 -0.89 -0.14 0.00 0.02 0.00 0.00 54.97 53.91 1qe3 s GLU 472 Cb -0.10 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 1qe3 s GLU 472 CO 0.01 0.27 0.32 -0.80 0.02 0.00 0.00 175.26 175.09 1qe3 s ASN 473 N 0.11 6.24 -1.09 -0.19 0.01 -1.26 -0.67 114.94 118.10 1qe3 s ASN 473 Ca -0.12 0.27 -0.14 0.00 -0.71 0.00 0.00 52.86 52.17 1qe3 s ASN 473 Cb -0.16 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 1qe3 s ASN 473 CO 0.07 -0.11 0.85 -0.67 -1.51 0.00 0.00 177.10 175.73 1qe3 n ASP 474 N 4.96 -5.99 -4.76 -1.22 2.03 -0.13 -4.91 116.55 106.53 1qe3 n ASP 474 Ca -0.10 -0.86 -0.39 0.00 0.52 0.00 0.00 54.79 53.96 1qe3 n ASP 474 Cb 0.51 -4.22 0.03 0.00 -0.72 0.00 0.00 41.12 36.72 1qe3 n ASP 474 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1qe3 s PRO 475 N -5.20 3.41 -1.55 -0.67 0.04 -1.26 -2.91 135.00 126.86 1qe3 s PRO 475 Ca 0.45 2.20 -0.11 0.00 0.04 0.00 0.00 61.00 63.58 1qe3 s PRO 475 Cb -0.12 -2.40 0.09 0.00 0.04 0.00 0.00 34.50 32.11 1qe3 s PRO 475 CO 0.81 -0.97 0.77 0.39 0.04 0.00 0.00 177.00 178.04 1qe3 n GLU 476 N -0.69 -4.21 -0.30 4.56 1.02 -1.26 -4.81 120.64 114.95 1qe3 n GLU 476 Ca 0.08 0.48 0.11 0.00 -0.02 0.00 0.00 57.16 57.82 1qe3 n GLU 476 Cb 0.45 -5.13 0.34 0.00 -0.02 0.00 0.00 31.44 27.08 1qe3 n GLU 476 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1qe3 h SER 477 N -1.82 0.73 -0.51 1.62 4.64 -1.90 0.28 113.55 116.60 1qe3 h SER 477 Ca -0.60 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 60.74 1qe3 h SER 477 Cb 1.38 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1qe3 h SER 477 CO 0.69 0.36 0.18 -0.08 -0.87 0.00 0.00 176.83 177.11 1qe3 h GLU 478 N 0.77 0.77 -0.32 4.77 4.81 -1.90 -0.41 114.58 123.07 1qe3 h GLU 478 Ca 0.47 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1qe3 h GLU 478 Cb 0.69 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1qe3 h GLU 478 CO -0.24 0.70 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.30 1qe3 h LYS 479 N 0.68 0.62 -0.33 1.92 3.64 -1.54 -2.33 116.57 119.23 1qe3 h LYS 479 Ca 0.17 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1qe3 h LYS 479 Cb 0.23 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1qe3 h LYS 479 CO -0.01 0.80 0.14 -0.09 -2.27 0.00 0.00 179.45 178.01 1qe3 h ARG 480 N 0.55 0.49 -0.15 1.90 2.43 -0.54 -0.69 114.38 118.37 1qe3 h ARG 480 Ca 0.08 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1qe3 h ARG 480 Cb 0.68 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1qe3 h ARG 480 CO 0.05 0.48 -0.11 1.96 -1.51 0.00 0.00 179.97 180.85 1qe3 h GLN 481 N 0.39 0.23 0.10 0.20 4.20 -0.92 0.89 115.11 120.20 1qe3 h GLN 481 Ca 0.11 -0.05 -0.28 0.00 0.06 0.00 0.00 58.65 58.49 1qe3 h GLN 481 Cb 0.17 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 27.94 1qe3 h GLN 481 CO -0.01 0.35 -1.19 0.87 -0.67 0.00 0.00 178.83 178.18 1qe3 h LYS 482 N 0.22 0.55 0.00 1.46 1.57 -1.13 -3.29 116.57 115.95 1qe3 h LYS 482 Ca 0.05 -0.72 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1qe3 h LYS 482 Cb 0.34 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1qe3 h LYS 482 CO 0.02 1.31 -0.35 1.28 -0.57 0.00 0.00 179.45 181.14 1qe3 n LEU 483 N -3.75 0.74 0.00 2.94 4.77 -0.29 -4.77 117.00 116.64 1qe3 n LEU 483 Ca -0.12 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1qe3 n LEU 483 Cb 0.96 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1qe3 n LEU 483 CO 0.56 -0.11 0.24 0.49 -1.33 0.00 0.00 177.39 177.24