#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h n TRP 14 N 0.00 0.00 -0.03 1.61 -0.00 -1.26 -4.71 117.44 113.05 3a0h n TRP 14 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 3a0h n TRP 14 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3a0h n TRP 14 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.69 178.04 3a0h h PHE 15 N 0.00 0.00 -0.48 5.87 3.57 -2.04 -3.35 116.94 120.51 3a0h h PHE 15 Ca 0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 3a0h h PHE 15 Cb 0.50 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 3a0h h PHE 15 CO 0.00 0.00 0.80 -0.44 -2.23 0.00 0.00 178.31 176.44 3a0h h ASP 16 N -0.50 0.00 -0.23 0.41 3.32 -1.96 1.96 116.42 119.41 3a0h h ASP 16 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3a0h h ASP 16 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3a0h h ASP 16 CO 0.00 0.00 -0.20 0.16 -1.72 0.00 0.00 179.24 177.48 3a0h h ILE 17 N 0.00 1.32 -0.14 0.35 -0.00 -1.85 1.91 117.51 119.10 3a0h h ILE 17 Ca 0.23 -1.34 -0.01 0.00 -0.00 0.00 0.00 64.86 63.74 3a0h h ILE 17 Cb 1.82 1.66 -0.01 0.00 -0.00 0.00 0.00 36.82 40.30 3a0h h ILE 17 CO -0.00 0.41 0.05 0.25 -0.00 0.00 0.00 178.15 178.87 3a0h h LEU 18 N 0.25 0.20 0.00 0.16 5.85 0.29 -1.31 115.31 120.75 3a0h h LEU 18 Ca 0.04 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3a0h h LEU 18 Cb 0.74 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3a0h h LEU 18 CO 0.05 0.33 0.00 -0.67 -0.34 0.00 0.00 178.44 177.81 3a0h n ASP 19 N -4.87 0.00 -0.05 1.25 2.03 0.09 -1.97 116.55 113.02 3a0h n ASP 19 Ca -0.05 0.49 -0.01 0.00 0.52 0.00 0.00 54.79 55.74 3a0h n ASP 19 Cb 0.13 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.52 3a0h n ASP 19 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3a0h n ASP 20 N -0.59 -0.13 0.00 1.67 8.00 0.65 -0.64 116.55 125.50 3a0h n ASP 20 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 3a0h n ASP 20 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3a0h n ASP 20 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 3a0h n TRP 21 N -4.17 0.00 0.30 1.24 -0.00 -0.50 -3.25 117.44 111.07 3a0h n TRP 21 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.54 3a0h n TRP 21 Cb 0.04 0.00 0.19 0.00 -0.00 0.00 0.00 31.31 31.54 3a0h n TRP 21 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 177.69 179.06 3a0h h LEU 22 N 0.00 0.00 0.00 5.87 8.10 -0.74 -1.91 115.31 126.63 3a0h h LEU 22 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.82 3a0h h LEU 22 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 3a0h h LEU 22 CO 0.00 0.00 -0.98 0.11 -4.11 0.00 0.00 178.44 173.46 3a0h h LYS 23 N 0.00 0.00 -5.44 0.17 1.57 -0.86 -3.37 116.57 108.64 3a0h h LYS 23 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3a0h h LYS 23 Cb 1.58 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.78 3a0h h LYS 23 CO 0.00 0.62 -0.19 1.03 -0.57 0.00 0.00 179.45 180.34 3a0h s ARG 24 N -2.83 4.18 0.00 3.15 1.81 -0.72 -4.92 118.95 119.62 3a0h s ARG 24 Ca 0.01 0.22 0.00 0.00 -1.72 0.00 0.00 55.73 54.24 3a0h s ARG 24 Cb 0.09 -3.53 0.00 0.00 -0.45 0.00 0.00 34.95 31.05 3a0h s ARG 24 CO 0.79 -0.03 0.00 -0.25 -0.68 0.00 0.00 175.30 175.13 3a0h n ASP 25 N 4.44 0.00 -3.77 0.23 8.00 -1.26 -4.86 116.55 119.33 3a0h n ASP 25 Ca -0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.14 3a0h n ASP 25 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 3a0h n ASP 25 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3a0h n ARG 26 N 0.00 -0.85 0.00 -1.24 0.00 -1.26 -4.02 116.66 109.29 3a0h n ARG 26 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 3a0h n ARG 26 Cb 0.00 -3.15 0.00 0.00 -0.00 0.00 0.00 32.46 29.31 3a0h n ARG 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3a0h n PHE 27 N -3.29 0.00 -2.37 2.89 -0.00 -1.26 -4.55 117.46 108.87 3a0h n PHE 27 Ca -0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.03 3a0h n PHE 27 Cb 0.40 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.84 3a0h n PHE 27 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3a0h s VAL 28 N 0.00 3.65 0.48 -2.13 1.01 -1.26 -4.96 120.40 117.19 3a0h s VAL 28 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 3a0h s VAL 28 Cb 0.00 -4.61 -0.10 0.00 0.00 0.00 0.00 36.38 31.66 3a0h s VAL 28 CO 0.00 -1.55 0.73 0.33 0.00 0.00 0.00 175.10 174.62 3a0h n PHE 29 N 10.62 0.13 -3.55 5.22 7.35 -1.26 -4.98 117.46 130.98 3a0h n PHE 29 Ca 0.19 0.53 -0.19 0.00 -0.76 0.00 0.00 57.45 57.22 3a0h n PHE 29 Cb 0.50 -2.07 -0.14 0.00 0.35 0.00 0.00 39.48 38.12 3a0h n PHE 29 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3a0h s VAL 30 N -1.47 -0.28 0.46 -2.13 1.01 -1.26 -5.01 120.40 111.72 3a0h s VAL 30 Ca 0.66 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.65 3a0h s VAL 30 Cb -0.53 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3a0h s VAL 30 CO 0.55 -0.13 0.09 -0.83 0.00 0.00 0.00 175.10 174.78 3a0h s GLY 31 N 2.29 2.86 0.42 4.51 0.00 -1.26 -4.18 107.32 111.96 3a0h s GLY 31 Ca 0.05 -0.77 0.34 0.00 0.00 0.00 0.00 44.72 44.34 3a0h s GLY 31 CO -0.10 -1.97 1.36 0.79 0.00 0.00 0.00 173.10 173.18 3a0h n TRP 32 N -1.08 0.40 0.05 1.90 5.03 -1.26 0.13 117.44 122.61 3a0h n TRP 32 Ca -0.12 0.41 -0.02 0.00 3.03 0.00 0.00 57.50 60.80 3a0h n TRP 32 Cb 0.65 -0.83 -0.01 0.00 -1.03 0.00 0.00 31.31 30.09 3a0h n TRP 32 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 3a0h h SER 33 N 0.00 -0.13 -0.17 -0.99 4.64 -1.92 -3.32 113.55 111.66 3a0h h SER 33 Ca 0.79 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 62.18 3a0h h SER 33 Cb 2.76 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 64.85 3a0h h SER 33 CO -0.27 0.01 0.08 0.61 -0.87 0.00 0.00 176.83 176.39 3a0h n GLY 34 N 0.82 -0.13 0.55 -0.77 0.00 0.35 0.93 105.19 106.93 3a0h n GLY 34 Ca -0.02 0.14 0.38 0.00 0.00 0.00 0.00 46.02 46.51 3a0h n GLY 34 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a0h h ILE 35 N 0.00 0.32 0.00 -0.61 2.04 -1.58 0.10 117.51 117.78 3a0h h ILE 35 Ca 0.14 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 3a0h h ILE 35 Cb 0.36 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3a0h h ILE 35 CO -0.13 0.01 -1.35 0.00 0.00 0.00 0.00 178.15 176.68 3a0h n LEU 36 N -4.21 0.00 0.27 1.44 -0.00 0.26 -4.46 117.00 110.31 3a0h n LEU 36 Ca 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 56.20 3a0h n LEU 36 Cb 1.37 0.10 -0.05 0.00 -0.00 0.00 0.00 43.42 44.83 3a0h n LEU 36 CO 0.38 0.10 0.39 0.25 -0.00 0.00 0.00 177.39 178.51 3a0h h LEU 37 N 0.00 -0.60 -0.36 1.47 5.85 -1.11 -2.85 115.31 117.72 3a0h h LEU 37 Ca -0.11 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3a0h h LEU 37 Cb 1.02 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 3a0h h LEU 37 CO 0.01 -0.34 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.41 3a0h h PHE 38 N -0.90 -0.23 0.47 1.25 0.04 -1.12 0.33 116.94 116.79 3a0h h PHE 38 Ca -0.07 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3a0h h PHE 38 Cb 0.55 0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.86 3a0h h PHE 38 CO 0.05 -0.17 -0.23 -1.00 -0.60 0.00 0.00 178.31 176.36 3a0h h PRO 39 N -0.02 -0.61 0.41 1.51 0.13 -1.70 -0.30 132.00 131.42 3a0h h PRO 39 Ca 0.17 0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 3a0h h PRO 39 Cb 0.28 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 3a0h h PRO 39 CO -0.38 -0.32 -0.30 0.00 -0.23 0.00 0.00 178.00 176.77 3a0h h ALA 41 N -0.20 1.66 0.13 0.00 0.00 -0.40 -0.30 119.26 120.14 3a0h h ALA 41 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a0h h ALA 41 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3a0h h ALA 41 CO 0.00 0.04 -0.06 -0.92 0.00 0.00 0.00 179.25 178.31 3a0h h TYR 42 N 0.84 -0.16 -0.94 0.00 3.20 -0.72 -2.35 116.97 116.84 3a0h h TYR 42 Ca 0.52 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.61 3a0h h TYR 42 Cb 0.72 0.05 -0.18 0.00 1.54 0.00 0.00 36.73 38.87 3a0h h TYR 42 CO -0.00 -0.10 -0.10 1.28 -1.64 0.00 0.00 178.16 177.60 3a0h n LEU 43 N -2.57 -0.21 0.07 2.82 4.77 -0.75 0.41 117.00 121.54 3a0h n LEU 43 Ca -0.02 1.60 -0.14 0.00 -0.03 0.00 0.00 56.01 57.42 3a0h n LEU 43 Cb 0.07 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.55 3a0h n LEU 43 CO 0.05 -1.58 0.57 0.00 -1.33 0.00 0.00 177.39 175.10 3a0h h ALA 44 N 1.87 -0.75 -0.63 -1.18 0.00 -1.03 4.28 119.26 121.83 3a0h h ALA 44 Ca 0.51 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.45 3a0h h ALA 44 Cb 0.95 0.79 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 3a0h h ALA 44 CO -0.92 -1.00 0.28 1.25 0.00 0.00 0.00 179.25 178.86 3a0h h LEU 45 N -0.61 0.33 0.53 0.00 5.85 0.52 -0.99 115.31 120.94 3a0h h LEU 45 Ca 0.04 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3a0h h LEU 45 Cb 0.68 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.73 3a0h h LEU 45 CO -0.32 0.20 -0.26 1.23 -0.34 0.00 0.00 178.44 178.96 3a0h h GLY 46 N 0.49 -0.75 -0.96 3.75 0.00 0.28 -1.38 103.07 104.50 3a0h h GLY 46 Ca 0.31 0.28 0.29 0.00 0.00 0.00 0.00 47.33 48.20 3a0h h GLY 46 CO -0.27 -0.27 0.11 0.61 0.00 0.00 0.00 176.54 176.72 3a0h n GLY 47 N -1.22 -1.21 0.13 4.60 0.00 1.40 0.51 105.19 109.40 3a0h n GLY 47 Ca -0.12 0.91 -0.16 0.00 0.00 0.00 0.00 46.02 46.66 3a0h n GLY 47 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3a0h h TRP 48 N 0.00 0.46 0.63 1.61 7.01 -1.12 -3.27 115.95 121.26 3a0h h TRP 48 Ca 0.62 -0.22 -0.02 0.00 2.11 0.00 0.00 58.89 61.38 3a0h h TRP 48 Cb 1.37 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 28.35 3a0h h TRP 48 CO -0.41 0.99 -0.47 -0.07 -2.79 0.00 0.00 178.44 175.70 3a0h h LEU 49 N -0.20 -1.22 -0.75 0.65 3.38 0.12 -2.68 115.31 114.61 3a0h h LEU 49 Ca -0.04 0.08 0.17 0.00 0.09 0.00 0.00 57.88 58.19 3a0h h LEU 49 Cb 1.06 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 42.06 3a0h h LEU 49 CO 0.08 -0.68 -0.03 0.71 0.09 0.00 0.00 178.44 178.61 3a0h h THR 50 N -1.06 0.32 -0.01 0.22 1.35 -0.63 -1.62 112.91 111.48 3a0h h THR 50 Ca -0.08 -0.03 0.03 0.00 -0.55 0.00 0.00 66.41 65.79 3a0h h THR 50 Cb 0.88 0.23 -0.05 0.00 -1.73 0.00 0.00 68.15 67.48 3a0h h THR 50 CO 0.03 0.01 -0.33 1.23 -0.25 0.00 0.00 175.52 176.21 3a0h h GLY 51 N 0.08 -0.54 0.91 5.82 0.00 -1.56 0.27 103.07 108.05 3a0h h GLY 51 Ca 0.40 0.40 0.10 0.00 0.00 0.00 0.00 47.33 48.23 3a0h h GLY 51 CO -0.69 -0.23 0.47 -0.91 0.00 0.00 0.00 176.54 175.19 3a0h h THR 52 N -0.47 0.92 0.06 4.70 1.35 -0.98 -2.11 112.91 116.38 3a0h h THR 52 Ca 0.06 -0.21 -0.18 0.00 -0.55 0.00 0.00 66.41 65.54 3a0h h THR 52 Cb 0.56 0.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.25 3a0h h THR 52 CO -0.28 0.11 -0.89 0.71 -0.25 0.00 0.00 175.52 174.92 3a0h h THR 53 N 0.60 1.30 0.00 6.82 1.35 -0.92 0.66 112.91 122.72 3a0h h THR 53 Ca 0.33 -2.37 -0.00 0.00 -0.55 0.00 0.00 66.41 63.82 3a0h h THR 53 Cb 0.49 2.89 -0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3a0h h THR 53 CO -0.11 0.60 -1.01 0.49 -0.25 0.00 0.00 175.52 175.23 3a0h n PHE 54 N -4.25 0.00 -2.14 4.73 0.99 0.92 -1.96 117.46 115.75 3a0h n PHE 54 Ca -0.20 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 56.84 3a0h n PHE 54 Cb 0.73 -0.01 -0.02 0.00 -1.00 0.00 0.00 39.48 39.18 3a0h n PHE 54 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3a0h s VAL 55 N -2.00 2.78 0.46 -4.37 1.01 -0.80 -4.87 120.40 112.61 3a0h s VAL 55 Ca -0.00 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.79 3a0h s VAL 55 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3a0h s VAL 55 CO 0.00 0.17 0.65 0.28 0.00 0.00 0.00 175.10 176.20 3a0h s THR 56 N -1.17 3.23 -0.03 3.92 -1.32 -1.26 -4.05 115.64 114.96 3a0h s THR 56 Ca 0.50 -0.79 0.04 0.00 -1.21 0.00 0.00 61.69 60.23 3a0h s THR 56 Cb -0.39 -3.15 0.06 0.00 -1.51 0.00 0.00 72.50 67.52 3a0h s THR 56 CO 0.51 -0.08 0.94 -1.54 -2.21 0.00 0.00 174.62 172.23 3a0h n SER 57 N -2.03 0.69 -0.04 8.08 3.41 -1.25 -4.88 113.62 117.60 3a0h n SER 57 Ca 0.05 -2.05 -0.11 0.00 -0.26 0.00 0.00 58.87 56.50 3a0h n SER 57 Cb 0.59 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 3a0h n SER 57 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3a0h h TRP 58 N 0.00 0.23 0.00 7.33 2.91 -1.85 -2.78 115.95 121.80 3a0h h TRP 58 Ca 0.00 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 3a0h h TRP 58 Cb 1.16 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.74 3a0h h TRP 58 CO 0.05 0.28 0.00 0.66 -1.03 0.00 0.00 178.44 178.40 3a0h n TYR 59 N -4.89 0.00 0.00 2.65 4.02 -1.26 0.11 117.16 117.79 3a0h n TYR 59 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 3a0h n TYR 59 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 3a0h n TYR 59 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3a0h n THR 60 N -0.64 0.00 -0.37 -0.72 -2.24 -1.16 -4.87 114.28 104.28 3a0h n THR 60 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3a0h n THR 60 Cb 0.01 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 3a0h n THR 60 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3a0h n HIS 61 N -1.97 0.00 -2.66 4.78 8.25 -1.06 -4.66 115.22 117.91 3a0h n HIS 61 Ca 0.00 -0.01 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 3a0h n HIS 61 Cb 0.37 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3a0h n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a0h n GLY 62 N -0.01 -0.50 3.13 -1.41 0.00 0.29 -4.93 105.19 101.76 3a0h n GLY 62 Ca 0.00 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 3a0h n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a0h s LEU 63 N -6.13 1.95 -0.11 0.99 0.20 -1.26 -4.95 118.68 109.38 3a0h s LEU 63 Ca 0.11 -0.32 -0.30 0.00 0.69 0.00 0.00 54.13 54.32 3a0h s LEU 63 Cb -0.05 -0.88 -0.02 0.00 -0.43 0.00 0.00 46.19 44.80 3a0h s LEU 63 CO 0.14 0.16 1.18 0.00 -0.29 0.00 0.00 176.35 177.54 3a0h s ALA 64 N -0.11 3.55 -0.22 5.97 0.00 -1.26 -2.55 121.76 127.13 3a0h s ALA 64 Ca 0.00 0.51 0.12 0.00 0.00 0.00 0.00 51.96 52.59 3a0h s ALA 64 Cb -0.09 -3.54 0.45 0.00 0.00 0.00 0.00 23.12 19.94 3a0h s ALA 64 CO 0.01 -0.88 1.19 -1.13 0.00 0.00 0.00 175.76 174.95 3a0h n SER 65 N 5.66 2.89 -3.71 0.00 3.41 -1.26 -4.82 113.62 115.79 3a0h n SER 65 Ca 0.12 -3.43 -0.14 0.00 -0.26 0.00 0.00 58.87 55.16 3a0h n SER 65 Cb 0.46 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 3a0h n SER 65 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3a0h s SER 66 N -3.31 -0.41 0.20 4.04 0.15 -1.26 -3.67 113.70 109.44 3a0h s SER 66 Ca 0.41 0.64 -0.15 0.00 0.70 0.00 0.00 55.95 57.56 3a0h s SER 66 Cb 0.38 0.69 0.19 0.00 -1.71 0.00 0.00 66.02 65.58 3a0h s SER 66 CO -0.03 -0.30 1.64 1.88 1.20 0.00 0.00 173.24 177.63 3a0h h TYR 67 N 4.68 -0.29 -1.18 3.44 0.05 0.28 0.74 116.97 124.68 3a0h h TYR 67 Ca -0.28 0.05 0.34 0.00 0.05 0.00 0.00 58.73 58.89 3a0h h TYR 67 Cb 1.17 0.22 -0.08 0.00 1.01 0.00 0.00 36.73 39.05 3a0h h TYR 67 CO 0.43 -0.24 0.80 1.25 -1.05 0.00 0.00 178.16 179.36 3a0h h LEU 68 N 0.00 0.23 0.00 3.88 5.85 -1.62 1.67 115.31 125.32 3a0h h LEU 68 Ca 0.27 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.05 3a0h h LEU 68 Cb 0.41 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3a0h h LEU 68 CO -0.58 0.00 -0.38 -0.33 -0.34 0.00 0.00 178.44 176.81 3a0h h GLU 69 N 0.18 0.00 0.00 1.25 5.08 0.15 -3.47 114.58 117.77 3a0h h GLU 69 Ca 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 3a0h h GLU 69 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 3a0h h GLU 69 CO -0.20 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.22 3a0h n GLY 70 N 1.22 1.54 3.48 -3.84 0.00 0.57 -4.99 105.19 103.17 3a0h n GLY 70 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3a0h n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a0h n ASN 72 N -1.39 0.91 0.03 0.00 0.23 -1.26 -4.13 115.26 109.65 3a0h n ASN 72 Ca 0.09 -1.20 -0.11 0.00 -0.53 0.00 0.00 54.58 52.83 3a0h n ASN 72 Cb 0.52 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 38.15 3a0h n ASN 72 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3a0h h PHE 73 N 0.36 -0.18 0.00 -2.53 3.57 -1.96 0.10 116.94 116.30 3a0h h PHE 73 Ca -0.04 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3a0h h PHE 73 Cb 0.14 0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3a0h h PHE 73 CO 0.00 -0.11 0.00 1.28 -2.23 0.00 0.00 178.31 177.25 3a0h n LEU 74 N -5.20 0.09 -0.13 0.59 4.77 -1.26 -3.53 117.00 112.33 3a0h n LEU 74 Ca -0.05 0.52 -0.26 0.00 -0.03 0.00 0.00 56.01 56.19 3a0h n LEU 74 Cb 0.13 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 3a0h n LEU 74 CO 0.28 -0.26 -1.18 0.41 -1.33 0.00 0.00 177.39 175.31 3a0h n THR 75 N -1.60 1.53 -1.56 -5.08 -1.04 -0.85 -2.16 114.28 103.52 3a0h n THR 75 Ca 0.04 -0.26 -0.46 0.00 -2.04 0.00 0.00 64.05 61.33 3a0h n THR 75 Cb 0.20 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 66.72 3a0h n THR 75 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3a0h n VAL 76 N -4.31 1.85 -3.55 12.58 0.24 0.29 -4.64 118.33 120.79 3a0h n VAL 76 Ca -0.46 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.24 3a0h n VAL 76 Cb 0.80 -0.82 -0.05 0.00 -1.47 0.00 0.00 33.84 32.31 3a0h n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a0h s ALA 77 N -0.94 -1.86 -1.19 2.33 0.00 -1.24 -3.66 121.76 115.20 3a0h s ALA 77 Ca 0.61 1.45 -0.07 0.00 0.00 0.00 0.00 51.96 53.96 3a0h s ALA 77 Cb -0.76 -0.38 0.23 0.00 0.00 0.00 0.00 23.12 22.22 3a0h s ALA 77 CO 0.58 -0.35 1.69 1.55 0.00 0.00 0.00 175.76 179.23 3a0h n VAL 78 N 0.76 4.80 0.00 0.00 3.14 -0.77 -4.66 118.33 121.59 3a0h n VAL 78 Ca -0.14 -5.11 0.00 0.00 -2.96 0.00 0.00 64.34 56.13 3a0h n VAL 78 Cb 0.58 -2.23 0.00 0.00 -1.06 0.00 0.00 33.84 31.12 3a0h n VAL 78 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3a0h n SER 79 N 2.73 0.00 0.00 6.55 3.41 -1.26 -4.67 113.62 120.38 3a0h n SER 79 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3a0h n SER 79 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3a0h n SER 79 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3a0h n THR 80 N 0.00 0.00 -1.62 6.66 5.66 -1.26 -4.63 114.28 119.09 3a0h n THR 80 Ca 0.00 0.00 -0.51 0.00 -3.05 0.00 0.00 64.05 60.49 3a0h n THR 80 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 3a0h n THR 80 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3a0h n PRO 81 N -0.45 1.43 -1.30 1.09 -0.02 -1.26 -4.81 135.00 129.69 3a0h n PRO 81 Ca 0.00 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.63 3a0h n PRO 81 Cb 0.00 -2.20 0.07 0.00 -0.02 0.00 0.00 33.50 31.34 3a0h n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a0h n ALA 82 N 3.08 -1.39 0.43 3.55 0.00 -1.26 -2.70 120.51 122.21 3a0h n ALA 82 Ca 0.19 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.44 3a0h n ALA 82 Cb 0.21 -1.86 0.12 0.00 0.00 0.00 0.00 19.45 17.92 3a0h n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3a0h n ASN 83 N -0.25 0.00 0.07 0.00 2.85 -1.26 -1.32 115.26 115.35 3a0h n ASN 83 Ca 0.10 -0.30 -0.01 0.00 -0.11 0.00 0.00 54.58 54.26 3a0h n ASN 83 Cb 0.50 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.46 3a0h n ASN 83 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3a0h h SER 84 N 0.00 0.00 0.10 1.20 0.02 -1.99 -3.37 113.55 109.51 3a0h h SER 84 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 3a0h h SER 84 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.55 3a0h h SER 84 CO 0.00 0.66 -0.96 0.24 -1.14 0.00 0.00 176.83 175.63 3a0h h MET 85 N 0.00 0.22 0.00 3.45 2.86 -1.52 -3.50 114.93 116.45 3a0h h MET 85 Ca -0.09 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3a0h h MET 85 Cb 1.58 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.38 3a0h h MET 85 CO 0.07 1.18 0.00 0.41 1.06 0.00 0.00 176.91 179.63 3a0h n GLY 86 N 1.67 1.48 0.70 8.32 0.00 -1.25 -3.61 105.19 112.51 3a0h n GLY 86 Ca -0.19 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.19 3a0h n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a0h n HIS 87 N 8.51 0.09 -1.57 1.61 8.25 -1.26 0.91 115.22 131.76 3a0h n HIS 87 Ca 0.00 -0.07 -0.52 0.00 -0.26 0.00 0.00 57.72 56.87 3a0h n HIS 87 Cb 0.00 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 3a0h n HIS 87 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3a0h n SER 88 N 0.94 1.35 0.00 0.41 3.41 -1.24 -4.69 113.62 113.81 3a0h n SER 88 Ca 0.11 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 3a0h n SER 88 Cb 0.43 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 3a0h n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a0h n LEU 89 N 2.31 0.00 -3.24 1.04 4.77 -1.26 -4.81 117.00 115.80 3a0h n LEU 89 Ca 0.18 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.21 3a0h n LEU 89 Cb 0.19 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.02 3a0h n LEU 89 CO 0.62 -0.28 -0.26 -0.11 -1.33 0.00 0.00 177.39 176.03 3a0h n LEU 90 N -1.24 -4.38 -4.82 2.23 7.94 -1.26 -4.76 117.00 110.71 3a0h n LEU 90 Ca 0.00 0.23 -0.37 0.00 -1.11 0.00 0.00 56.01 54.76 3a0h n LEU 90 Cb 0.07 -2.15 -0.06 0.00 0.53 0.00 0.00 43.42 41.81 3a0h n LEU 90 CO 0.00 -1.06 0.34 -0.76 -1.11 0.00 0.00 177.39 174.81 3a0h s LEU 91 N -2.16 4.42 0.27 -1.96 1.02 -1.26 -4.85 118.68 114.15 3a0h s LEU 91 Ca 0.26 1.32 -0.00 0.00 0.02 0.00 0.00 54.13 55.72 3a0h s LEU 91 Cb -0.04 -3.31 0.53 0.00 0.02 0.00 0.00 46.19 43.39 3a0h s LEU 91 CO 0.69 0.13 1.80 0.25 0.02 0.00 0.00 176.35 179.24 3a0h h LEU 92 N 3.82 0.73 -2.53 1.79 5.85 -1.96 -0.47 115.31 122.53 3a0h h LEU 92 Ca -0.48 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.30 3a0h h LEU 92 Cb 1.20 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3a0h h LEU 92 CO 0.65 0.36 0.00 -2.67 -0.34 0.00 0.00 178.44 176.44 3a0h n TRP 93 N -4.74 0.59 -1.79 1.25 2.14 -1.26 0.45 117.44 114.09 3a0h n TRP 93 Ca 0.17 -0.37 -0.31 0.00 2.07 0.00 0.00 57.50 59.06 3a0h n TRP 93 Cb 0.38 -0.01 0.02 0.00 -0.81 0.00 0.00 31.31 30.90 3a0h n TRP 93 CO 0.00 0.00 0.00 0.20 2.07 0.00 0.00 177.69 179.96 3a0h s GLY 94 N -1.15 1.72 0.32 -1.67 0.00 -0.19 -4.44 107.32 101.92 3a0h s GLY 94 Ca 0.35 0.04 0.14 0.00 0.00 0.00 0.00 44.72 45.26 3a0h s GLY 94 CO 0.26 0.33 1.41 -1.05 0.00 0.00 0.00 173.10 174.06 3a0h n PRO 95 N -2.79 -0.06 0.39 2.90 -0.02 -1.26 0.42 135.00 134.59 3a0h n PRO 95 Ca 0.07 1.27 -0.17 0.00 -2.02 0.00 0.00 63.50 62.64 3a0h n PRO 95 Cb 0.54 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 3a0h n PRO 95 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3a0h h GLU 96 N 0.00 -0.97 0.15 -0.52 9.09 -1.92 -3.37 114.58 117.04 3a0h h GLU 96 Ca 0.71 0.07 -0.36 0.00 0.05 0.00 0.00 59.36 59.82 3a0h h GLU 96 Cb 1.79 0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 29.10 3a0h h GLU 96 CO -0.73 -0.62 -1.91 0.00 0.05 0.00 0.00 179.01 175.80 3a0h h ALA 97 N -1.02 0.34 -5.48 1.06 0.00 -1.53 -3.50 119.26 109.14 3a0h h ALA 97 Ca -0.10 -1.31 -0.22 0.00 0.00 0.00 0.00 54.91 53.28 3a0h h ALA 97 Cb 0.79 0.61 0.17 0.00 0.00 0.00 0.00 17.79 19.36 3a0h h ALA 97 CO 0.17 1.22 -0.74 1.04 0.00 0.00 0.00 179.25 180.93 3a0h n GLN 98 N -3.51 -2.07 -3.90 0.00 6.02 0.17 -3.52 117.38 110.56 3a0h n GLN 98 Ca -0.29 0.94 -0.29 0.00 -0.01 0.00 0.00 57.00 57.35 3a0h n GLN 98 Cb 1.06 -5.74 -0.02 0.00 1.02 0.00 0.00 30.24 26.55 3a0h n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a0h n GLY 99 N -1.33 -0.37 2.56 1.08 0.00 1.59 -4.85 105.19 103.87 3a0h n GLY 99 Ca -0.06 0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3a0h n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a0h n ASP 100 N -1.52 3.79 0.00 1.61 -0.08 -1.23 -4.96 116.55 114.16 3a0h n ASP 100 Ca -0.14 -3.48 0.00 0.00 -1.51 0.00 0.00 54.79 49.66 3a0h n ASP 100 Cb 0.43 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.26 3a0h n ASP 100 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3a0h n PHE 101 N 0.54 0.00 -0.13 -0.67 7.35 -1.26 0.15 117.46 123.44 3a0h n PHE 101 Ca 0.30 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.76 3a0h n PHE 101 Cb 0.41 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.14 3a0h n PHE 101 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3a0h n THR 102 N -0.58 1.40 -0.02 -2.13 -2.24 -1.26 -3.15 114.28 106.30 3a0h n THR 102 Ca 0.00 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 3a0h n THR 102 Cb 0.24 -1.63 -0.09 0.00 -2.10 0.00 0.00 70.33 66.75 3a0h n THR 102 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3a0h h ARG 103 N -0.51 0.08 -0.16 -0.78 2.47 0.98 0.32 114.38 116.78 3a0h h ARG 103 Ca -0.60 -0.04 0.05 0.00 -1.26 0.00 0.00 59.98 58.12 3a0h h ARG 103 Cb 1.69 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.01 3a0h h ARG 103 CO -0.26 0.55 0.14 2.35 0.56 0.00 0.00 179.97 183.31 3a0h h TRP 104 N -0.39 0.00 0.00 3.04 7.01 -0.86 1.93 115.95 126.67 3a0h h TRP 104 Ca 0.00 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 3a0h h TRP 104 Cb 0.54 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 3a0h h TRP 104 CO 0.10 0.00 -0.52 0.00 -2.79 0.00 0.00 178.44 175.23 3a0h h GLN 106 N 0.00 0.35 -0.39 0.00 4.20 0.63 -3.27 115.11 116.62 3a0h h GLN 106 Ca -0.02 -0.59 0.00 0.00 0.06 0.00 0.00 58.65 58.10 3a0h h GLN 106 Cb 1.28 0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.28 3a0h h GLN 106 CO 0.04 1.28 0.00 1.28 -0.67 0.00 0.00 178.83 180.76 3a0h n LEU 107 N -3.83 0.39 0.00 1.46 4.77 0.46 -4.61 117.00 115.63 3a0h n LEU 107 Ca -0.22 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 3a0h n LEU 107 Cb 0.97 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 3a0h n LEU 107 CO 0.48 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3a0h n GLY 108 N 0.17 2.04 5.04 -0.72 0.00 -1.23 -4.61 105.19 105.88 3a0h n GLY 108 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3a0h n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0h n GLY 109 N 0.00 -0.06 0.31 -0.02 0.00 -1.23 -3.70 105.19 100.49 3a0h n GLY 109 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.26 3a0h n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a0h n LEU 110 N 0.00 0.00 0.00 0.99 4.32 -1.26 -0.37 117.00 120.68 3a0h n LEU 110 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 3a0h n LEU 110 Cb 0.00 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 3a0h n LEU 110 CO 0.00 -0.44 0.24 1.87 -1.22 0.00 0.00 177.39 177.85 3a0h n TRP 111 N -2.82 0.00 -0.43 -1.77 -0.00 -1.24 0.12 117.44 111.29 3a0h n TRP 111 Ca 0.19 0.00 0.36 0.00 -0.00 0.00 0.00 57.50 58.06 3a0h n TRP 111 Cb 0.89 0.00 0.61 0.00 -0.00 0.00 0.00 31.31 32.81 3a0h n TRP 111 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 3a0h n THR 112 N -0.52 -0.21 0.00 5.87 -2.24 0.50 0.60 114.28 118.27 3a0h n THR 112 Ca 0.00 1.60 0.00 0.00 -2.27 0.00 0.00 64.05 63.38 3a0h n THR 112 Cb 0.00 -2.62 0.00 0.00 -2.10 0.00 0.00 70.33 65.61 3a0h n THR 112 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3a0h n PHE 113 N -4.45 0.00 -0.35 4.78 7.35 -1.04 0.76 117.46 124.50 3a0h n PHE 113 Ca 0.36 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 57.15 3a0h n PHE 113 Cb 1.42 -0.01 0.21 0.00 0.35 0.00 0.00 39.48 41.45 3a0h n PHE 113 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3a0h h ILE 114 N 0.00 0.00 0.18 -2.13 2.04 0.48 0.41 117.51 118.50 3a0h h ILE 114 Ca 0.00 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3a0h h ILE 114 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3a0h h ILE 114 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.06 3a0h h ALA 115 N 2.00 -0.25 -0.11 1.87 0.00 0.15 0.12 119.26 123.04 3a0h h ALA 115 Ca 0.54 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3a0h h ALA 115 Cb 0.98 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3a0h h ALA 115 CO -0.99 -0.53 -0.02 -0.07 0.00 0.00 0.00 179.25 177.65 3a0h h LEU 116 N -0.47 0.21 -0.32 0.00 3.38 0.33 0.74 115.31 119.18 3a0h h LEU 116 Ca -0.03 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3a0h h LEU 116 Cb 0.36 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3a0h h LEU 116 CO 0.04 0.52 0.10 0.45 0.09 0.00 0.00 178.44 179.64 3a0h h HIS 117 N -0.10 0.19 0.12 1.13 3.86 -0.41 -2.06 115.15 117.87 3a0h h HIS 117 Ca 0.03 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3a0h h HIS 117 Cb 0.42 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 3a0h h HIS 117 CO 0.05 0.08 -0.30 0.78 0.86 0.00 0.00 177.93 179.39 3a0h h GLY 118 N 0.24 -0.57 -1.64 2.45 0.00 -0.57 -1.14 103.07 101.84 3a0h h GLY 118 Ca 0.15 0.36 0.52 0.00 0.00 0.00 0.00 47.33 48.36 3a0h h GLY 118 CO -0.16 -0.24 1.31 0.00 0.00 0.00 0.00 176.54 177.46 3a0h h ALA 119 N 0.16 3.72 0.05 3.60 0.00 0.12 0.86 119.26 127.77 3a0h h ALA 119 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3a0h h ALA 119 Cb 0.55 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3a0h h ALA 119 CO -0.18 -2.24 -0.45 0.74 0.00 0.00 0.00 179.25 177.12 3a0h h PHE 120 N 0.00 0.20 -0.82 0.00 0.04 -0.96 -3.09 116.94 112.31 3a0h h PHE 120 Ca 0.86 -0.15 0.27 0.00 2.80 0.00 0.00 57.97 61.75 3a0h h PHE 120 Cb 3.47 -0.01 -0.15 0.00 2.20 0.00 0.00 35.95 41.46 3a0h h PHE 120 CO 0.00 1.17 0.18 0.41 -0.60 0.00 0.00 178.31 179.47 3a0h n GLY 121 N 1.62 -0.93 0.31 -1.45 0.00 0.30 0.18 105.19 105.22 3a0h n GLY 121 Ca -0.14 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 3a0h n GLY 121 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a0h h LEU 122 N 0.00 -0.64 -0.81 0.99 -0.00 -1.55 0.82 115.31 114.12 3a0h h LEU 122 Ca 0.57 0.02 0.10 0.00 -0.00 0.00 0.00 57.88 58.58 3a0h h LEU 122 Cb 1.34 0.16 -0.12 0.00 -0.00 0.00 0.00 40.66 42.04 3a0h h LEU 122 CO -0.72 -0.30 -0.48 0.40 -0.00 0.00 0.00 178.44 177.34 3a0h h ILE 123 N -1.06 0.03 -0.05 1.22 2.04 -0.19 0.25 117.51 119.74 3a0h h ILE 123 Ca -0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.82 3a0h h ILE 123 Cb 0.58 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3a0h h ILE 123 CO 0.13 0.00 -0.26 1.23 0.00 0.00 0.00 178.15 179.25 3a0h h GLY 124 N -0.11 -0.36 0.90 5.37 0.00 0.19 -2.10 103.07 106.96 3a0h h GLY 124 Ca 0.21 0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.88 3a0h h GLY 124 CO -0.84 -0.21 0.55 -2.75 0.00 0.00 0.00 176.54 173.29 3a0h h PHE 125 N -0.37 1.04 -0.64 5.60 3.04 0.23 -1.44 116.94 124.40 3a0h h PHE 125 Ca 0.08 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 3a0h h PHE 125 Cb 0.48 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 3a0h h PHE 125 CO -0.32 0.61 0.37 1.98 -2.02 0.00 0.00 178.31 178.93 3a0h h MET 126 N 1.08 0.88 0.06 1.11 4.05 -0.34 -1.20 114.93 120.57 3a0h h MET 126 Ca 0.34 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.69 3a0h h MET 126 Cb -0.02 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 30.56 3a0h h MET 126 CO -0.11 0.64 -0.42 -0.07 0.23 0.00 0.00 176.91 177.18 3a0h h LEU 127 N 0.87 -1.26 -1.04 3.39 3.38 -0.79 0.19 115.31 120.05 3a0h h LEU 127 Ca 0.23 0.15 0.32 0.00 0.09 0.00 0.00 57.88 58.67 3a0h h LEU 127 Cb 0.00 0.48 -0.15 0.00 0.09 0.00 0.00 40.66 41.09 3a0h h LEU 127 CO -0.04 -0.47 0.59 0.03 0.09 0.00 0.00 178.44 178.64 3a0h h ARG 128 N -0.62 0.31 -0.04 1.13 3.08 -0.58 1.99 114.38 119.66 3a0h h ARG 128 Ca 0.03 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 3a0h h ARG 128 Cb 0.67 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3a0h h ARG 128 CO -0.28 0.21 -0.11 1.96 -1.07 0.00 0.00 179.97 180.68 3a0h h GLN 129 N 0.32 0.06 0.12 0.04 4.20 0.52 -0.47 115.11 119.90 3a0h h GLN 129 Ca 0.73 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.43 3a0h h GLN 129 Cb 1.70 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.48 3a0h h GLN 129 CO -0.58 0.17 -0.06 0.74 -0.67 0.00 0.00 178.83 178.43 3a0h h PHE 130 N 0.06 -0.15 -0.26 2.96 -1.00 0.40 -2.78 116.94 116.15 3a0h h PHE 130 Ca 0.01 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.81 3a0h h PHE 130 Cb 0.23 0.05 -0.03 0.00 3.61 0.00 0.00 35.95 39.81 3a0h h PHE 130 CO 0.00 -0.10 -0.16 -1.91 -1.61 0.00 0.00 178.31 174.54 3a0h n GLU 131 N -4.17 -0.12 -0.18 1.51 2.13 0.62 0.12 120.64 120.55 3a0h n GLU 131 Ca -0.02 1.13 0.17 0.00 0.66 0.00 0.00 57.16 59.10 3a0h n GLU 131 Cb 0.07 -1.68 0.52 0.00 0.27 0.00 0.00 31.44 30.62 3a0h n GLU 131 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3a0h h ILE 132 N 0.00 0.75 -0.26 6.31 2.04 -1.27 -1.82 117.51 123.26 3a0h h ILE 132 Ca 0.04 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 3a0h h ILE 132 Cb 0.11 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3a0h h ILE 132 CO -0.25 0.07 -0.24 0.00 0.00 0.00 0.00 178.15 177.73 3a0h h ALA 133 N 1.63 0.38 0.00 1.87 0.00 0.13 -1.70 119.26 121.57 3a0h h ALA 133 Ca 0.40 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3a0h h ALA 133 Cb 0.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3a0h h ALA 133 CO -0.13 0.35 -0.02 -0.09 0.00 0.00 0.00 179.25 179.36 3a0h h ARG 134 N 0.34 0.00 0.00 0.00 9.65 0.38 -2.74 114.38 122.01 3a0h h ARG 134 Ca 0.04 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.85 3a0h h ARG 134 Cb 0.79 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.36 3a0h h ARG 134 CO 0.06 0.02 -0.77 -0.07 2.80 0.00 0.00 179.97 182.01 3a0h h LEU 135 N 0.00 0.00 -3.17 3.80 3.38 -1.23 -3.34 115.31 114.76 3a0h h LEU 135 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a0h h LEU 135 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3a0h h LEU 135 CO 0.00 0.28 0.00 0.52 0.09 0.00 0.00 178.44 179.33 3a0h n VAL 136 N -2.96 1.91 -3.64 1.22 0.31 -0.65 -4.97 118.33 109.54 3a0h n VAL 136 Ca -0.01 -1.40 -0.24 0.00 -0.01 0.00 0.00 64.34 62.68 3a0h n VAL 136 Cb 0.67 0.04 0.07 0.00 -0.91 0.00 0.00 33.84 33.71 3a0h n VAL 136 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a0h n GLY 137 N 0.42 -0.49 3.64 2.92 0.00 -1.15 -5.02 105.19 105.50 3a0h n GLY 137 Ca 0.22 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 3a0h n GLY 137 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a0h s VAL 138 N -3.34 1.62 -0.01 1.61 -7.23 -1.05 -5.09 120.40 106.91 3a0h s VAL 138 Ca 0.48 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.40 3a0h s VAL 138 Cb -0.22 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 3a0h s VAL 138 CO 0.76 0.00 0.74 -0.13 -0.31 0.00 0.00 175.10 176.15 3a0h s ARG 139 N -3.78 4.46 0.66 4.82 0.52 -1.26 -4.65 118.95 119.71 3a0h s ARG 139 Ca 0.26 0.98 0.43 0.00 -0.52 0.00 0.00 55.73 56.89 3a0h s ARG 139 Cb 0.07 -3.41 2.32 0.00 0.52 0.00 0.00 34.95 34.46 3a0h s ARG 139 CO 0.13 0.17 2.33 -1.35 0.02 0.00 0.00 175.30 176.60 3a0h h PRO 140 N 6.24 0.00 -0.23 3.54 0.11 -1.92 -3.34 132.00 136.39 3a0h h PRO 140 Ca -0.42 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.77 3a0h h PRO 140 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3a0h h PRO 140 CO 0.73 0.00 0.10 0.66 -0.21 0.00 0.00 178.00 179.28 3a0h n TYR 141 N -3.10 0.24 -0.04 0.65 4.01 -1.26 0.30 117.16 117.97 3a0h n TYR 141 Ca -0.03 0.27 -0.10 0.00 -0.16 0.00 0.00 57.90 57.89 3a0h n TYR 141 Cb 0.10 -0.73 -0.03 0.00 -0.31 0.00 0.00 39.34 38.36 3a0h n TYR 141 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 3a0h h ASN 142 N 0.00 -1.01 -1.05 7.72 -0.73 -1.95 0.18 115.58 118.74 3a0h h ASN 142 Ca 0.18 0.16 0.28 0.00 1.87 0.00 0.00 56.30 58.79 3a0h h ASN 142 Cb 0.46 0.45 -0.08 0.00 0.27 0.00 0.00 38.32 39.42 3a0h h ASN 142 CO -0.19 -0.34 0.69 0.00 -0.37 0.00 0.00 177.43 177.23 3a0h h ALA 143 N 0.53 2.40 0.63 1.57 0.00 0.42 -1.31 119.26 123.51 3a0h h ALA 143 Ca 0.12 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3a0h h ALA 143 Cb 0.54 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a0h h ALA 143 CO -0.41 -0.79 -0.30 0.82 0.00 0.00 0.00 179.25 178.57 3a0h h ILE 144 N 0.31 0.00 -0.98 0.00 2.04 -0.79 -3.03 117.51 115.06 3a0h h ILE 144 Ca 0.58 -0.32 0.39 0.00 1.00 0.00 0.00 64.86 66.52 3a0h h ILE 144 Cb 1.63 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.53 3a0h h ILE 144 CO -0.23 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.38 3a0h n ALA 145 N -2.67 0.95 0.00 1.87 0.00 -0.44 0.11 120.51 120.33 3a0h n ALA 145 Ca -0.11 1.01 0.00 0.00 0.00 0.00 0.00 53.44 54.34 3a0h n ALA 145 Cb 0.33 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3a0h n ALA 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3a0h n PHE 146 N -5.25 0.00 -0.24 0.00 7.35 -0.77 -0.74 117.46 117.81 3a0h n PHE 146 Ca 0.36 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.97 3a0h n PHE 146 Cb 1.20 -0.28 0.04 0.00 0.35 0.00 0.00 39.48 40.79 3a0h n PHE 146 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3a0h h SER 147 N 0.00 1.01 -0.36 -2.13 4.64 0.63 -2.91 113.55 114.43 3a0h h SER 147 Ca 0.00 -0.23 0.07 0.00 -0.47 0.00 0.00 61.79 61.16 3a0h h SER 147 Cb 0.05 -0.27 -0.07 0.00 -0.31 0.00 0.00 62.40 61.81 3a0h h SER 147 CO 0.00 0.97 -0.10 0.00 -0.87 0.00 0.00 176.83 176.83 3a0h n ALA 148 N -2.44 0.05 0.06 5.18 0.00 0.09 0.33 120.51 123.77 3a0h n ALA 148 Ca 0.05 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 3a0h n ALA 148 Cb 0.24 -0.22 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 3a0h n ALA 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3a0h h PRO 149 N 0.00 0.30 -0.34 0.00 0.11 -1.75 -3.19 132.00 127.13 3a0h h PRO 149 Ca 0.16 -0.51 0.07 0.00 0.11 0.00 0.00 66.00 65.83 3a0h h PRO 149 Cb 0.25 0.19 -0.07 0.00 0.11 0.00 0.00 31.00 31.49 3a0h h PRO 149 CO -0.37 1.17 -0.10 0.82 -0.21 0.00 0.00 178.00 179.31 3a0h h ILE 150 N 0.08 0.64 -0.43 4.15 2.04 -0.10 1.06 117.51 124.95 3a0h h ILE 150 Ca -0.30 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3a0h h ILE 150 Cb 2.05 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 38.72 3a0h h ILE 150 CO 0.16 0.00 0.17 0.00 0.00 0.00 0.00 178.15 178.47 3a0h h ALA 151 N 1.31 0.52 0.45 1.87 0.00 -1.18 0.89 119.26 123.11 3a0h h ALA 151 Ca 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3a0h h ALA 151 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a0h h ALA 151 CO -0.36 -0.22 -0.21 0.28 0.00 0.00 0.00 179.25 178.74 3a0h h VAL 152 N 0.35 0.00 -0.84 0.00 2.07 -1.14 -0.99 116.25 115.70 3a0h h VAL 152 Ca 0.20 -0.05 0.23 0.00 0.82 0.00 0.00 66.70 67.90 3a0h h VAL 152 Cb 0.17 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 3a0h h VAL 152 CO -0.19 0.00 0.59 0.15 0.02 0.00 0.00 177.57 178.15 3a0h h PHE 153 N -0.65 0.14 0.36 1.57 3.04 0.13 0.42 116.94 121.96 3a0h h PHE 153 Ca -0.06 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 3a0h h PHE 153 Cb 0.46 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.93 3a0h h PHE 153 CO 0.11 0.04 -0.18 0.28 -2.02 0.00 0.00 178.31 176.54 3a0h h VAL 154 N 0.11 0.00 0.18 1.41 2.07 0.99 -2.07 116.25 118.94 3a0h h VAL 154 Ca 0.41 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.65 3a0h h VAL 154 Cb 1.47 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3a0h h VAL 154 CO -0.05 0.00 -0.37 0.77 0.02 0.00 0.00 177.57 177.94 3a0h h SER 155 N -0.79 -1.06 0.70 0.57 4.64 -0.48 0.23 113.55 117.36 3a0h h SER 155 Ca -0.05 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3a0h h SER 155 Cb 0.38 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3a0h h SER 155 CO 0.08 -0.47 0.00 0.52 -0.87 0.00 0.00 176.83 176.10 3a0h n VAL 156 N -5.45 0.84 0.00 0.95 0.31 0.14 0.11 118.33 115.24 3a0h n VAL 156 Ca -0.08 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3a0h n VAL 156 Cb 0.36 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 3a0h n VAL 156 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3a0h n PHE 157 N -1.96 0.00 0.07 3.52 3.01 -0.78 -4.28 117.46 117.04 3a0h n PHE 157 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 3a0h n PHE 157 Cb 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3a0h n PHE 157 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3a0h n LEU 158 N -1.13 0.64 0.13 4.37 4.32 0.62 -4.75 117.00 121.21 3a0h n LEU 158 Ca 0.00 0.21 -0.11 0.00 -0.02 0.00 0.00 56.01 56.09 3a0h n LEU 158 Cb 0.00 -0.11 -0.06 0.00 -1.62 0.00 0.00 43.42 41.63 3a0h n LEU 158 CO 0.00 -0.73 0.51 0.40 -1.22 0.00 0.00 177.39 176.35 3a0h h ILE 159 N 0.00 0.00 -0.35 -0.08 2.04 -0.48 0.30 117.51 118.93 3a0h h ILE 159 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3a0h h ILE 159 Cb 0.00 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.99 3a0h h ILE 159 CO 0.00 0.00 -0.39 0.22 0.00 0.00 0.00 178.15 177.98 3a0h h TYR 160 N -0.58 -1.11 -0.11 1.37 3.20 0.57 0.16 116.97 120.46 3a0h h TYR 160 Ca -0.02 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3a0h h TYR 160 Cb 0.54 0.54 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 3a0h h TYR 160 CO -0.29 -0.43 -0.10 -1.35 -1.64 0.00 0.00 178.16 174.35 3a0h h PRO 161 N -0.33 -0.11 -0.26 1.82 0.11 -1.76 0.25 132.00 131.71 3a0h h PRO 161 Ca 0.14 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.33 3a0h h PRO 161 Cb 0.57 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3a0h h PRO 161 CO -0.53 -0.08 0.38 -0.07 -0.21 0.00 0.00 178.00 177.50 3a0h h LEU 162 N -0.12 0.00 0.01 2.35 3.38 0.11 0.07 115.31 121.11 3a0h h LEU 162 Ca 0.08 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 3a0h h LEU 162 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3a0h h LEU 162 CO -0.18 0.00 -1.51 1.23 0.09 0.00 0.00 178.44 178.07 3a0h h GLY 163 N 0.00 0.03 0.00 0.83 0.00 0.12 -3.47 103.07 100.58 3a0h h GLY 163 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3a0h h GLY 163 CO -0.00 0.06 0.00 -1.06 0.00 0.00 0.00 176.54 175.54 3a0h n GLN 164 N -3.17 3.13 -0.04 4.80 1.13 0.01 -4.60 117.38 118.65 3a0h n GLN 164 Ca -0.13 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.93 3a0h n GLN 164 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 31.37 3a0h n GLN 164 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3a0h h SER 165 N 0.00 0.00 -4.07 1.08 0.87 -1.90 -3.50 113.55 106.03 3a0h h SER 165 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 3a0h h SER 165 Cb 0.00 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 61.82 3a0h h SER 165 CO 0.00 0.38 -0.64 -0.55 -0.53 0.00 0.00 176.83 175.49 3a0h s SER 166 N -4.92 1.62 0.61 6.23 0.15 -1.26 -4.50 113.70 111.62 3a0h s SER 166 Ca -0.01 -1.28 0.31 0.00 0.70 0.00 0.00 55.95 55.68 3a0h s SER 166 Cb 0.00 0.06 1.76 0.00 -1.71 0.00 0.00 66.02 66.13 3a0h s SER 166 CO 0.01 -0.59 2.12 -0.50 1.20 0.00 0.00 173.24 175.48 3a0h h TRP 167 N 2.44 0.00 0.00 3.44 4.06 0.30 -3.04 115.95 123.15 3a0h h TRP 167 Ca -0.38 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.57 3a0h h TRP 167 Cb 1.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 3a0h h TRP 167 CO 0.54 0.00 0.00 0.34 -3.56 0.00 0.00 178.44 175.76 3a0h n PHE 168 N -3.61 0.00 0.00 0.49 7.35 -1.10 -1.50 117.46 119.10 3a0h n PHE 168 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3a0h n PHE 168 Cb 0.29 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 39.67 3a0h n PHE 168 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3a0h n PHE 169 N -2.73 0.00 -1.44 -5.13 3.72 -1.15 -4.67 117.46 106.07 3a0h n PHE 169 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 3a0h n PHE 169 Cb 0.00 -0.09 0.11 0.00 -0.94 0.00 0.00 39.48 38.57 3a0h n PHE 169 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a0h s ALA 170 N -2.04 1.92 0.69 4.37 0.00 -0.56 -4.91 121.76 121.23 3a0h s ALA 170 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 3a0h s ALA 170 Cb 0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 3a0h s ALA 170 CO 0.00 -2.04 -0.22 -2.30 0.00 0.00 0.00 175.76 171.19 3a0h n PRO 171 N -3.64 -0.45 -0.00 0.00 -0.02 -1.26 -4.95 135.00 124.68 3a0h n PRO 171 Ca 0.07 -0.13 0.02 0.00 -2.02 0.00 0.00 63.50 61.43 3a0h n PRO 171 Cb 0.56 -1.10 -0.02 0.00 -0.02 0.00 0.00 33.50 32.92 3a0h n PRO 171 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3a0h n SER 172 N 2.22 2.57 -3.15 2.55 2.88 -1.26 -4.87 113.62 114.57 3a0h n SER 172 Ca 0.01 -0.23 -0.16 0.00 -1.33 0.00 0.00 58.87 57.15 3a0h n SER 172 Cb 0.21 1.09 0.08 0.00 -0.75 0.00 0.00 64.21 64.84 3a0h n SER 172 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3a0h n PHE 173 N -1.40 -2.06 -4.26 0.66 3.72 -1.26 -3.72 117.46 109.14 3a0h n PHE 173 Ca -0.00 0.84 -0.16 0.00 -0.05 0.00 0.00 57.45 58.08 3a0h n PHE 173 Cb 0.07 -4.68 -0.06 0.00 -0.94 0.00 0.00 39.48 33.87 3a0h n PHE 173 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a0h n GLY 174 N -1.27 3.22 0.12 1.37 0.00 -1.26 -1.85 105.19 105.51 3a0h n GLY 174 Ca -0.20 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.69 3a0h n GLY 174 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a0h n VAL 175 N -0.55 1.52 -0.04 1.61 0.31 -1.24 -3.91 118.33 116.02 3a0h n VAL 175 Ca 0.03 -0.19 -0.22 0.00 -0.01 0.00 0.00 64.34 63.96 3a0h n VAL 175 Cb 0.47 -2.02 -0.13 0.00 -0.91 0.00 0.00 33.84 31.26 3a0h n VAL 175 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a0h n ALA 176 N -4.03 0.90 0.18 3.52 0.00 -0.92 -3.58 120.51 116.58 3a0h n ALA 176 Ca -0.41 -0.61 0.17 0.00 0.00 0.00 0.00 53.44 52.59 3a0h n ALA 176 Cb 0.75 -0.58 0.62 0.00 0.00 0.00 0.00 19.45 20.24 3a0h n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a0h h ALA 177 N -0.16 1.93 0.00 0.00 0.00 -1.81 1.31 119.26 120.53 3a0h h ALA 177 Ca -0.42 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 3a0h h ALA 177 Cb 1.78 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 3a0h h ALA 177 CO -0.04 -0.74 -1.53 1.51 0.00 0.00 0.00 179.25 178.45 3a0h n ILE 178 N -3.16 1.33 0.01 0.00 0.00 -1.25 -3.67 119.36 112.62 3a0h n ILE 178 Ca 0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 62.75 62.04 3a0h n ILE 178 Cb 0.71 -0.84 0.22 0.00 0.00 0.00 0.00 39.64 39.74 3a0h n ILE 178 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3a0h h PHE 179 N 0.00 0.55 -0.89 9.51 0.04 0.16 -0.85 116.94 125.46 3a0h h PHE 179 Ca -0.21 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.52 3a0h h PHE 179 Cb 1.74 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 39.69 3a0h h PHE 179 CO 0.00 0.67 0.58 -0.09 -0.60 0.00 0.00 178.31 178.86 3a0h h ARG 180 N 0.45 0.98 -0.50 1.51 1.12 -1.25 0.18 114.38 116.87 3a0h h ARG 180 Ca 0.07 -0.06 0.10 0.00 -1.11 0.00 0.00 59.98 58.98 3a0h h ARG 180 Cb 0.60 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 30.31 3a0h h ARG 180 CO 0.04 0.65 0.34 0.35 -3.11 0.00 0.00 179.97 178.24 3a0h h PHE 181 N 1.01 0.26 0.00 2.20 3.04 -1.22 -1.71 116.94 120.52 3a0h h PHE 181 Ca 0.38 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.34 3a0h h PHE 181 Cb 0.19 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.61 3a0h h PHE 181 CO -0.00 0.13 0.00 1.28 -2.02 0.00 0.00 178.31 177.69 3a0h n LEU 182 N -4.45 0.00 0.00 0.59 4.77 0.61 -3.00 117.00 115.51 3a0h n LEU 182 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3a0h n LEU 182 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3a0h n LEU 182 CO 0.35 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.59 3a0h n LEU 183 N 0.00 0.00 -0.32 2.23 4.77 -1.15 0.42 117.00 122.94 3a0h n LEU 183 Ca 0.00 0.00 0.31 0.00 -0.03 0.00 0.00 56.01 56.29 3a0h n LEU 183 Cb 0.00 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.66 3a0h n LEU 183 CO 0.00 0.00 1.06 0.15 -1.33 0.00 0.00 177.39 177.27 3a0h h PHE 184 N 0.00 0.83 0.26 -1.77 -0.00 -1.45 1.82 116.94 116.63 3a0h h PHE 184 Ca 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 57.97 58.00 3a0h h PHE 184 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 35.95 35.76 3a0h h PHE 184 CO 0.00 -0.44 -0.13 0.74 -0.00 0.00 0.00 178.31 178.48 3a0h h PHE 185 N 0.04 -0.33 -0.65 0.41 0.05 0.85 -0.19 116.94 117.13 3a0h h PHE 185 Ca 0.83 -0.01 0.13 0.00 3.82 0.00 0.00 57.97 62.74 3a0h h PHE 185 Cb 2.16 0.11 -0.12 0.00 2.00 0.00 0.00 35.95 40.10 3a0h h PHE 185 CO -0.02 0.03 -0.17 0.37 -0.18 0.00 0.00 178.31 178.34 3a0h h GLN 186 N -0.92 -0.00 -0.58 1.51 5.75 0.05 1.95 115.11 122.86 3a0h h GLN 186 Ca -0.04 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.36 3a0h h GLN 186 Cb 0.50 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 3a0h h GLN 186 CO 0.06 -0.00 -0.05 0.78 -2.65 0.00 0.00 178.83 176.97 3a0h h GLY 187 N -0.00 1.14 0.00 2.39 0.00 0.25 -2.20 103.07 104.65 3a0h h GLY 187 Ca 0.31 -0.87 -0.31 0.00 0.00 0.00 0.00 47.33 46.47 3a0h h GLY 187 CO -0.67 0.80 -2.13 0.69 0.00 0.00 0.00 176.54 175.23 3a0h n PHE 188 N -4.16 0.00 0.53 5.60 0.99 -0.08 -4.52 117.46 115.81 3a0h n PHE 188 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.59 3a0h n PHE 188 Cb 0.37 -0.76 0.04 0.00 -1.00 0.00 0.00 39.48 38.14 3a0h n PHE 188 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 3a0h n HIS 189 N -3.24 0.35 -4.02 1.38 8.25 0.55 -4.95 115.22 113.54 3a0h n HIS 189 Ca -0.36 0.10 -0.32 0.00 -0.26 0.00 0.00 57.72 56.88 3a0h n HIS 189 Cb 0.86 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 3a0h n HIS 189 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3a0h n ASN 190 N -2.03 -1.69 -0.02 0.41 5.15 0.48 -4.32 115.26 113.24 3a0h n ASN 190 Ca 0.02 -1.14 -0.10 0.00 -0.60 0.00 0.00 54.58 52.77 3a0h n ASN 190 Cb 0.45 -2.48 -0.04 0.00 -0.53 0.00 0.00 39.78 37.18 3a0h n ASN 190 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3a0h h TRP 191 N -2.00 0.05 -1.10 1.20 -0.00 -1.76 -2.90 115.95 109.44 3a0h h TRP 191 Ca -0.66 0.01 0.36 0.00 -0.00 0.00 0.00 58.89 58.60 3a0h h TRP 191 Cb 1.39 0.00 -0.09 0.00 -0.00 0.00 0.00 29.16 30.46 3a0h h TRP 191 CO 0.44 0.02 0.74 0.25 -0.00 0.00 0.00 178.44 179.89 3a0h n THR 192 N -5.09 -0.13 -1.44 2.65 -2.24 -1.26 0.19 114.28 106.96 3a0h n THR 192 Ca -0.04 1.23 -0.32 0.00 -2.27 0.00 0.00 64.05 62.65 3a0h n THR 192 Cb 0.08 -2.02 0.08 0.00 -2.10 0.00 0.00 70.33 66.37 3a0h n THR 192 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3a0h n LEU 193 N -3.91 7.12 -4.11 3.22 0.00 -1.09 -4.86 117.00 113.36 3a0h n LEU 193 Ca 0.30 -4.31 -0.33 0.00 0.00 0.00 0.00 56.01 51.66 3a0h n LEU 193 Cb 1.21 -0.86 -0.14 0.00 0.00 0.00 0.00 43.42 43.63 3a0h n LEU 193 CO 0.18 1.54 -0.40 0.21 0.00 0.00 0.00 177.39 178.93 3a0h s ASN 194 N -2.10 4.70 0.04 1.96 3.84 0.51 -4.73 114.94 119.16 3a0h s ASN 194 Ca 0.62 -1.41 -0.09 0.00 0.21 0.00 0.00 52.86 52.19 3a0h s ASN 194 Cb 0.49 -1.64 -0.02 0.00 -0.55 0.00 0.00 41.25 39.53 3a0h s ASN 194 CO 0.01 -0.25 0.72 -0.81 -2.79 0.00 0.00 177.10 173.98 3a0h n PRO 195 N 4.51 -0.12 -0.30 0.43 -0.04 -1.26 0.22 135.00 138.44 3a0h n PRO 195 Ca -0.12 0.71 0.01 0.00 -0.04 0.00 0.00 63.50 64.06 3a0h n PRO 195 Cb 0.43 -1.05 0.08 0.00 -0.04 0.00 0.00 33.50 32.91 3a0h n PRO 195 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3a0h h PHE 196 N 0.00 -0.66 -0.55 0.54 0.04 -1.96 0.92 116.94 115.26 3a0h h PHE 196 Ca 0.04 0.08 0.05 0.00 2.80 0.00 0.00 57.97 60.95 3a0h h PHE 196 Cb 0.12 0.42 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 3a0h h PHE 196 CO -0.56 -0.38 0.37 1.25 -0.60 0.00 0.00 178.31 178.39 3a0h h HIS 197 N -0.03 0.55 0.04 -0.55 -0.00 -0.38 -2.22 115.15 112.56 3a0h h HIS 197 Ca 0.37 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.78 3a0h h HIS 197 Cb 0.61 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 3a0h h HIS 197 CO -0.70 0.30 -0.28 0.52 -0.00 0.00 0.00 177.93 177.77 3a0h h MET 198 N 0.56 -0.44 -0.01 5.26 2.86 0.16 0.53 114.93 123.85 3a0h h MET 198 Ca 0.23 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3a0h h MET 198 Cb 0.22 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 3a0h h MET 198 CO -0.06 -0.29 0.02 0.52 1.06 0.00 0.00 176.91 178.15 3a0h h MET 199 N -0.45 0.00 -0.38 1.72 2.07 -1.08 0.65 114.93 117.46 3a0h h MET 199 Ca 0.05 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.65 3a0h h MET 199 Cb 0.52 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.23 3a0h h MET 199 CO -0.22 0.00 0.08 0.78 1.07 0.00 0.00 176.91 178.63 3a0h h GLY 200 N 0.00 0.60 0.53 8.32 0.00 0.57 0.30 103.07 113.39 3a0h h GLY 200 Ca 0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3a0h h GLY 200 CO -0.00 0.30 -1.56 1.55 0.00 0.00 0.00 176.54 176.82 3a0h n VAL 201 N -4.33 0.54 0.06 4.60 3.14 0.13 -3.06 118.33 119.41 3a0h n VAL 201 Ca 0.02 -0.58 0.01 0.00 -2.96 0.00 0.00 64.34 60.83 3a0h n VAL 201 Cb 0.19 -0.28 0.32 0.00 -1.06 0.00 0.00 33.84 33.01 3a0h n VAL 201 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3a0h h ALA 202 N 1.83 1.39 0.04 1.55 0.00 0.95 -1.23 119.26 123.78 3a0h h ALA 202 Ca -0.07 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 3a0h h ALA 202 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3a0h h ALA 202 CO 0.01 0.42 -0.64 0.78 0.00 0.00 0.00 179.25 179.82 3a0h h GLY 203 N 0.83 0.09 0.93 0.00 0.00 -0.53 -1.37 103.07 103.02 3a0h h GLY 203 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3a0h h GLY 203 CO 0.02 0.19 -0.38 -2.08 0.00 0.00 0.00 176.54 174.30 3a0h h VAL 204 N -0.81 0.17 0.59 4.60 2.07 -1.57 1.02 116.25 122.31 3a0h h VAL 204 Ca -0.15 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3a0h h VAL 204 Cb 1.28 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3a0h h VAL 204 CO -0.03 0.01 -0.28 0.25 0.02 0.00 0.00 177.57 177.54 3a0h h LEU 205 N -1.14 -0.67 -0.98 2.57 5.85 -1.42 0.16 115.31 119.67 3a0h h LEU 205 Ca -0.11 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.77 3a0h h LEU 205 Cb 0.83 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 3a0h h LEU 205 CO 0.18 -0.46 0.60 1.23 -0.34 0.00 0.00 178.44 179.65 3a0h h GLY 206 N -0.82 1.66 1.00 3.75 0.00 -1.22 -1.89 103.07 105.55 3a0h h GLY 206 Ca -0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3a0h h GLY 206 CO 0.13 0.06 -0.22 -1.33 0.00 0.00 0.00 176.54 175.18 3a0h h GLY 207 N 0.87 0.84 0.11 4.60 0.00 0.15 -2.59 103.07 107.05 3a0h h GLY 207 Ca 0.52 -0.79 0.10 0.00 0.00 0.00 0.00 47.33 47.17 3a0h h GLY 207 CO -0.32 0.72 -0.01 0.00 0.00 0.00 0.00 176.54 176.93 3a0h h ALA 208 N 0.77 0.48 0.27 3.60 0.00 0.14 0.70 119.26 125.22 3a0h h ALA 208 Ca 0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3a0h h ALA 208 Cb 0.78 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3a0h h ALA 208 CO 0.06 -0.39 -0.29 1.25 0.00 0.00 0.00 179.25 179.88 3a0h h LEU 209 N 0.10 -0.77 -0.95 0.00 6.46 -1.49 0.49 115.31 119.14 3a0h h LEU 209 Ca 0.26 0.07 0.25 0.00 -0.12 0.00 0.00 57.88 58.35 3a0h h LEU 209 Cb 0.41 0.27 -0.13 0.00 -0.73 0.00 0.00 40.66 40.47 3a0h h LEU 209 CO -0.45 -0.41 0.47 0.25 -0.62 0.00 0.00 178.44 177.68 3a0h h LEU 210 N -0.60 0.42 0.45 2.25 5.85 -0.46 0.28 115.31 123.51 3a0h h LEU 210 Ca -0.01 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3a0h h LEU 210 Cb 0.55 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3a0h h LEU 210 CO -0.07 -0.02 -0.22 0.00 -0.34 0.00 0.00 178.44 177.79 3a0h h ALA 212 N -0.89 2.49 0.04 0.00 0.00 0.70 -1.78 119.26 119.83 3a0h h ALA 212 Ca -0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3a0h h ALA 212 Cb 0.54 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a0h h ALA 212 CO 0.10 -0.67 -0.28 0.97 0.00 0.00 0.00 179.25 179.37 3a0h h ILE 213 N 0.08 1.68 -0.82 0.00 6.09 -0.47 -2.88 117.51 121.19 3a0h h ILE 213 Ca 0.30 -2.36 -0.01 0.00 -1.37 0.00 0.00 64.86 61.42 3a0h h ILE 213 Cb 1.10 3.27 -0.04 0.00 0.47 0.00 0.00 36.82 41.62 3a0h h ILE 213 CO -0.03 0.63 0.47 -0.74 -3.07 0.00 0.00 178.15 175.42 3a0h h HIS 214 N -0.75 1.09 -0.12 2.19 2.76 -1.14 1.67 115.15 120.85 3a0h h HIS 214 Ca -0.05 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.13 3a0h h HIS 214 Cb 1.20 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.79 3a0h h HIS 214 CO 0.24 0.74 0.03 0.78 -1.30 0.00 0.00 177.93 178.42 3a0h h GLY 215 N 1.15 0.14 0.56 5.26 0.00 -1.44 -0.94 103.07 107.81 3a0h h GLY 215 Ca 0.29 -0.02 -0.19 0.00 0.00 0.00 0.00 47.33 47.42 3a0h h GLY 215 CO -0.05 0.01 -0.87 0.00 0.00 0.00 0.00 176.54 175.63 3a0h h ALA 216 N 1.08 -0.01 -1.01 3.60 0.00 -1.18 -2.83 119.26 118.90 3a0h h ALA 216 Ca 0.05 -0.78 0.25 0.00 0.00 0.00 0.00 54.91 54.43 3a0h h ALA 216 Cb 0.04 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 17.90 3a0h h ALA 216 CO -0.06 0.45 0.61 0.00 0.00 0.00 0.00 179.25 180.24 3a0h h THR 217 N -0.45 0.54 0.23 0.00 1.03 0.24 -0.83 112.91 113.67 3a0h h THR 217 Ca -0.17 -0.19 -0.01 0.00 -0.01 0.00 0.00 66.41 66.03 3a0h h THR 217 Cb 1.58 -0.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.59 3a0h h THR 217 CO 0.10 0.10 -0.11 0.58 -0.01 0.00 0.00 175.52 176.18 3a0h h VAL 218 N 0.56 0.83 -0.78 0.00 2.07 -1.21 -3.07 116.25 114.65 3a0h h VAL 218 Ca 0.64 -0.68 0.18 0.00 0.82 0.00 0.00 66.70 67.66 3a0h h VAL 218 Cb 1.25 1.21 -0.13 0.00 -1.52 0.00 0.00 31.29 32.11 3a0h h VAL 218 CO -0.45 0.14 0.13 -0.33 0.02 0.00 0.00 177.57 177.08 3a0h h GLU 219 N -0.67 0.19 -0.08 1.57 4.39 -0.91 -1.98 114.58 117.08 3a0h h GLU 219 Ca -0.03 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 3a0h h GLU 219 Cb 0.47 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3a0h h GLU 219 CO 0.05 0.13 -0.59 -0.91 -1.16 0.00 0.00 179.01 176.53 3a0h h ASN 220 N 0.19 0.30 -0.83 1.42 2.35 -1.44 -3.13 115.58 114.46 3a0h h ASN 220 Ca 0.45 -0.17 -0.44 0.00 -0.55 0.00 0.00 56.30 55.59 3a0h h ASN 220 Cb 0.82 -0.09 -0.17 0.00 0.05 0.00 0.00 38.32 38.93 3a0h h ASN 220 CO -0.60 0.82 0.44 0.41 -1.65 0.00 0.00 177.43 176.85 3a0h n THR 221 N -3.89 3.12 -3.62 2.81 -1.04 -0.75 -4.89 114.28 106.02 3a0h n THR 221 Ca -0.02 -2.45 -0.36 0.00 -2.04 0.00 0.00 64.05 59.18 3a0h n THR 221 Cb 0.61 -1.46 -0.08 0.00 -1.82 0.00 0.00 70.33 67.58 3a0h n THR 221 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3a0h s LEU 222 N -2.14 4.19 -0.15 -4.42 0.20 -1.18 -0.79 118.68 114.37 3a0h s LEU 222 Ca 0.48 0.30 -0.29 0.00 0.69 0.00 0.00 54.13 55.30 3a0h s LEU 222 Cb 0.33 -2.21 -0.03 0.00 -0.43 0.00 0.00 46.19 43.85 3a0h s LEU 222 CO -0.12 0.10 1.48 -0.36 -0.29 0.00 0.00 176.35 177.16 3a0h s PHE 223 N 0.69 2.37 -0.51 5.38 0.08 -0.32 -4.90 117.98 120.76 3a0h s PHE 223 Ca 0.11 0.62 -0.27 0.00 0.12 0.00 0.00 56.93 57.51 3a0h s PHE 223 Cb -0.13 -3.79 -0.08 0.00 -0.57 0.00 0.00 43.02 38.45 3a0h s PHE 223 CO 0.02 -2.70 2.43 0.94 -0.10 0.00 0.00 175.22 175.81 3a0h n GLN 224 N 7.10 1.01 -1.10 0.44 7.27 -1.26 -4.65 117.38 126.19 3a0h n GLN 224 Ca 0.16 0.04 0.03 0.00 0.07 0.00 0.00 57.00 57.30 3a0h n GLN 224 Cb 0.44 -3.25 0.12 0.00 2.41 0.00 0.00 30.24 29.97 3a0h n GLN 224 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3a0h n ASP 225 N 15.09 1.60 -2.99 1.69 8.00 -1.26 -5.03 116.55 133.65 3a0h n ASP 225 Ca 0.39 -3.10 -0.17 0.00 0.71 0.00 0.00 54.79 52.63 3a0h n ASP 225 Cb 0.49 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 3a0h n ASP 225 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a0h n GLY 226 N -0.46 2.88 2.95 0.44 0.00 -1.26 -4.76 105.19 104.99 3a0h n GLY 226 Ca 0.15 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 3a0h n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a0h s GLU 227 N -3.15 1.50 0.00 1.61 0.41 -1.26 -5.04 118.70 112.77 3a0h s GLU 227 Ca 0.35 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 3a0h s GLU 227 Cb 0.01 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 3a0h s GLU 227 CO 0.25 -0.78 0.00 0.41 -0.49 0.00 0.00 175.26 174.65 3a0h n GLY 228 N 4.52 0.22 2.79 -1.39 0.00 -1.26 -4.81 105.19 105.27 3a0h n GLY 228 Ca -0.05 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 3a0h n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a0h n ALA 229 N -0.90 6.48 -2.80 4.61 0.00 -1.26 -4.60 120.51 122.04 3a0h n ALA 229 Ca 0.00 -3.96 -0.10 0.00 0.00 0.00 0.00 53.44 49.38 3a0h n ALA 229 Cb 0.00 -2.07 0.07 0.00 0.00 0.00 0.00 19.45 17.45 3a0h n ALA 229 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a0h n SER 230 N -0.14 -1.65 0.00 0.00 7.64 -1.26 -4.96 113.62 113.26 3a0h n SER 230 Ca 0.52 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 57.01 3a0h n SER 230 Cb 0.30 1.32 0.03 0.00 -1.01 0.00 0.00 64.21 64.85 3a0h n SER 230 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3a0h n THR 231 N 0.21 0.00 0.12 0.44 -2.24 -1.26 -1.27 114.28 110.28 3a0h n THR 231 Ca 0.08 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 3a0h n THR 231 Cb 0.72 -0.68 0.02 0.00 -2.10 0.00 0.00 70.33 68.29 3a0h n THR 231 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3a0h h PHE 232 N 0.00 0.00 0.02 4.78 3.57 -1.98 -3.37 116.94 119.95 3a0h h PHE 232 Ca 0.00 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.12 3a0h h PHE 232 Cb 0.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 3a0h h PHE 232 CO 0.00 0.10 -2.35 0.54 -2.23 0.00 0.00 178.31 174.37 3a0h n ARG 233 N -2.81 0.67 0.00 1.11 5.12 -0.39 -4.43 116.66 115.92 3a0h n ARG 233 Ca -0.00 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3a0h n ARG 233 Cb 0.59 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 3a0h n ARG 233 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a0h n ALA 234 N -3.04 0.68 -2.25 7.54 0.00 -1.23 -4.64 120.51 117.57 3a0h n ALA 234 Ca -0.39 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.66 3a0h n ALA 234 Cb 1.05 -0.51 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 3a0h n ALA 234 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3a0h s PHE 235 N -1.85 3.81 -0.52 0.00 2.19 -1.26 -4.44 117.98 115.91 3a0h s PHE 235 Ca 0.00 1.35 -0.22 0.00 0.33 0.00 0.00 56.93 58.39 3a0h s PHE 235 Cb 0.00 -2.59 0.05 0.00 -1.31 0.00 0.00 43.02 39.17 3a0h s PHE 235 CO 0.00 0.52 0.80 0.54 1.83 0.00 0.00 175.22 178.92 3a0h s ASN 236 N -0.94 6.30 0.41 6.13 2.20 -1.26 -4.90 114.94 122.88 3a0h s ASN 236 Ca 0.31 -0.53 0.17 0.00 -0.94 0.00 0.00 52.86 51.87 3a0h s ASN 236 Cb -0.20 -2.37 0.87 0.00 -2.00 0.00 0.00 41.25 37.54 3a0h s ASN 236 CO 0.21 -1.06 1.86 1.55 -2.94 0.00 0.00 177.10 176.71 3a0h h PRO 237 N 9.15 0.00 0.56 3.55 0.13 -1.96 -3.33 132.00 140.10 3a0h h PRO 237 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3a0h h PRO 237 Cb 1.08 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.22 3a0h h PRO 237 CO 1.03 0.32 -0.27 1.15 -0.23 0.00 0.00 178.00 179.99 3a0h h THR 238 N 0.00 0.00 -3.56 1.56 2.02 -2.04 -3.49 112.91 107.40 3a0h h THR 238 Ca -0.00 -0.21 -0.46 0.00 0.77 0.00 0.00 66.41 66.50 3a0h h THR 238 Cb 0.64 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.91 3a0h h THR 238 CO 0.04 0.00 -0.55 -1.10 0.37 0.00 0.00 175.52 174.28 3a0h s GLN 239 N -4.20 1.70 -0.02 6.66 -1.52 -1.25 -5.12 119.66 115.91 3a0h s GLN 239 Ca -0.11 -1.99 -0.30 0.00 -1.95 0.00 0.00 55.36 51.01 3a0h s GLN 239 Cb 0.01 -0.28 -0.06 0.00 -0.22 0.00 0.00 33.01 32.46 3a0h s GLN 239 CO 0.33 -0.45 1.64 0.00 -0.25 0.00 0.00 175.29 176.56 3a0h s ALA 240 N -3.46 3.63 -0.30 6.09 0.00 -1.26 -4.88 121.76 121.58 3a0h s ALA 240 Ca 0.33 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.20 3a0h s ALA 240 Cb 0.04 -3.72 0.18 0.00 0.00 0.00 0.00 23.12 19.62 3a0h s ALA 240 CO 0.17 -1.29 0.96 -1.21 0.00 0.00 0.00 175.76 174.39 3a0h s GLU 241 N 3.60 0.24 -0.37 0.00 2.02 -1.26 -5.10 118.70 117.83 3a0h s GLU 241 Ca 0.73 0.32 -0.38 0.00 0.02 0.00 0.00 54.97 55.66 3a0h s GLU 241 Cb -0.35 0.16 -0.14 0.00 0.10 0.00 0.00 34.13 33.91 3a0h s GLU 241 CO 0.30 -0.37 2.09 -1.91 0.02 0.00 0.00 175.26 175.40 3a0h n GLU 242 N 5.31 0.85 0.11 1.61 2.13 -1.26 -4.79 120.64 124.59 3a0h n GLU 242 Ca 0.02 0.25 -0.03 0.00 0.66 0.00 0.00 57.16 58.06 3a0h n GLU 242 Cb 0.55 -2.18 0.05 0.00 0.27 0.00 0.00 31.44 30.13 3a0h n GLU 242 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3a0h h THR 243 N 6.72 1.53 -3.68 6.31 1.03 -1.98 -3.42 112.91 119.41 3a0h h THR 243 Ca -0.27 -2.67 -0.68 0.00 -0.01 0.00 0.00 66.41 62.78 3a0h h THR 243 Cb 1.34 2.45 -0.33 0.00 -1.07 0.00 0.00 68.15 70.55 3a0h h THR 243 CO 1.02 0.76 -0.73 -0.72 -0.01 0.00 0.00 175.52 175.84 3a0h s TYR 244 N -3.20 3.19 -0.29 0.00 1.13 -1.25 -1.17 117.35 115.76 3a0h s TYR 244 Ca -0.00 -1.80 -0.35 0.00 -1.41 0.00 0.00 57.07 53.50 3a0h s TYR 244 Cb 0.11 -2.07 -0.11 0.00 -1.10 0.00 0.00 41.96 38.79 3a0h s TYR 244 CO 0.78 -0.79 2.10 0.45 -2.51 0.00 0.00 175.55 175.58 3a0h n SER 245 N 4.62 2.42 0.28 -0.18 2.88 0.03 -4.74 113.62 118.93 3a0h n SER 245 Ca -0.14 0.56 0.17 0.00 -1.33 0.00 0.00 58.87 58.12 3a0h n SER 245 Cb 0.45 -1.28 0.74 0.00 -0.75 0.00 0.00 64.21 63.36 3a0h n SER 245 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3a0h h MET 246 N 11.49 0.00 0.14 -1.46 4.05 -1.95 -2.74 114.93 124.46 3a0h h MET 246 Ca -0.33 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 58.82 3a0h h MET 246 Cb 1.31 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 32.14 3a0h h MET 246 CO 1.00 0.03 -1.11 0.28 0.23 0.00 0.00 176.91 177.33 3a0h h VAL 247 N 0.00 1.36 0.00 -5.77 2.07 -1.99 -2.90 116.25 109.02 3a0h h VAL 247 Ca -0.00 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 3a0h h VAL 247 Cb 0.46 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3a0h h VAL 247 CO 0.00 0.74 0.00 0.41 0.02 0.00 0.00 177.57 178.74 3a0h n THR 248 N -3.91 0.41 0.00 2.57 -1.04 -1.05 -3.13 114.28 108.12 3a0h n THR 248 Ca -0.14 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3a0h n THR 248 Cb 0.94 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 3a0h n THR 248 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a0h n ALA 249 N -1.20 0.00 -0.38 2.41 0.00 -1.10 -3.94 120.51 116.31 3a0h n ALA 249 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 3a0h n ALA 249 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 3a0h n ALA 249 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3a0h n ASN 250 N -0.25 -0.75 0.00 0.00 6.94 -1.20 0.28 115.26 120.28 3a0h n ASN 250 Ca 0.00 1.67 0.00 0.00 -0.02 0.00 0.00 54.58 56.23 3a0h n ASN 250 Cb 0.00 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 3a0h n ASN 250 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3a0h n ARG 251 N -5.33 0.00 -0.01 -3.83 1.74 -1.19 0.16 116.66 108.20 3a0h n ARG 251 Ca 0.07 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.14 3a0h n ARG 251 Cb 0.34 -1.40 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3a0h n ARG 251 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3a0h n PHE 252 N -0.85 0.02 -0.07 -1.55 -0.00 0.79 -4.41 117.46 111.39 3a0h n PHE 252 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 57.45 57.42 3a0h n PHE 252 Cb 0.00 -0.11 0.18 0.00 -0.00 0.00 0.00 39.48 39.55 3a0h n PHE 252 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 3a0h h TRP 253 N -0.15 0.76 -1.26 -5.13 4.06 -1.36 0.36 115.95 113.23 3a0h h TRP 253 Ca 0.00 -0.12 0.36 0.00 2.06 0.00 0.00 58.89 61.20 3a0h h TRP 253 Cb 0.14 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.04 3a0h h TRP 253 CO -0.06 0.75 0.90 0.77 -3.56 0.00 0.00 178.44 177.24 3a0h h SER 254 N 0.65 0.03 0.00 -3.49 0.02 0.10 1.04 113.55 111.90 3a0h h SER 254 Ca 0.12 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3a0h h SER 254 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3a0h h SER 254 CO 0.03 0.00 -1.83 0.00 -1.14 0.00 0.00 176.83 173.89 3a0h n GLN 255 N -4.19 0.57 -0.07 3.45 6.02 -0.53 -3.11 117.38 119.52 3a0h n GLN 255 Ca 0.28 -0.17 -0.04 0.00 -0.01 0.00 0.00 57.00 57.06 3a0h n GLN 255 Cb 1.31 -1.44 -0.16 0.00 1.02 0.00 0.00 30.24 30.97 3a0h n GLN 255 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 3a0h n ILE 256 N -2.13 1.04 -0.19 5.09 0.13 0.79 -4.61 119.36 119.48 3a0h n ILE 256 Ca -0.03 -0.76 0.00 0.00 -1.10 0.00 0.00 62.75 60.86 3a0h n ILE 256 Cb 0.48 -0.38 0.00 0.00 -0.84 0.00 0.00 39.64 38.90 3a0h n ILE 256 CO 0.00 0.00 0.00 0.33 2.80 0.00 0.00 176.55 179.68 3a0h n PHE 257 N -2.65 0.00 0.00 9.51 -0.00 0.32 -5.01 117.46 119.63 3a0h n PHE 257 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.21 3a0h n PHE 257 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.47 3a0h n PHE 257 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a0h n GLY 258 N 0.31 2.21 3.29 7.13 0.00 0.47 -4.96 105.19 113.64 3a0h n GLY 258 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3a0h n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a0h s ILE 259 N -2.35 1.61 -0.14 -0.61 -1.09 -1.21 -4.72 121.20 112.69 3a0h s ILE 259 Ca 0.00 -1.73 -0.00 0.00 -2.23 0.00 0.00 60.65 56.69 3a0h s ILE 259 Cb 0.00 -1.64 0.03 0.00 -1.58 0.00 0.00 42.46 39.28 3a0h s ILE 259 CO 0.00 -0.27 -0.06 0.00 -1.23 0.00 0.00 174.94 173.38 3a0h s ALA 260 N -1.79 1.42 -1.07 9.38 0.00 -1.26 -2.36 121.76 126.07 3a0h s ALA 260 Ca 0.10 -0.71 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 3a0h s ALA 260 Cb -0.07 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.94 3a0h s ALA 260 CO 0.05 -0.63 2.07 0.34 0.00 0.00 0.00 175.76 177.58 3a0h n PHE 261 N 4.90 2.58 -2.55 0.00 -0.00 -1.26 -4.88 117.46 116.25 3a0h n PHE 261 Ca -0.12 -2.32 -0.41 0.00 -0.00 0.00 0.00 57.45 54.60 3a0h n PHE 261 Cb 0.49 -2.07 -0.03 0.00 -0.00 0.00 0.00 39.48 37.86 3a0h n PHE 261 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 3a0h s SER 262 N 4.20 6.38 0.00 -2.13 0.01 -1.26 -4.76 113.70 116.13 3a0h s SER 262 Ca 0.53 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3a0h s SER 262 Cb 0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.81 3a0h s SER 262 CO 0.03 -1.63 0.00 -3.20 0.41 0.00 0.00 173.24 168.85 3a0h n ASN 263 N 9.13 0.00 0.00 2.44 2.85 -1.26 -5.04 115.26 123.38 3a0h n ASN 263 Ca 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 3a0h n ASN 263 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 3a0h n ASN 263 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3a0h n LYS 264 N -1.93 2.91 -0.10 1.20 5.02 -1.26 -4.22 118.16 119.78 3a0h n LYS 264 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3a0h n LYS 264 Cb 0.00 -0.67 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 3a0h n LYS 264 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3a0h h ARG 265 N 0.00 0.65 -0.00 1.97 1.12 -1.96 -0.29 114.38 115.87 3a0h h ARG 265 Ca 0.00 -0.30 -0.03 0.00 -1.11 0.00 0.00 59.98 58.54 3a0h h ARG 265 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 3a0h h ARG 265 CO 0.00 0.90 -0.12 2.35 -3.11 0.00 0.00 179.97 179.99 3a0h h TRP 266 N 0.40 0.13 0.06 2.20 2.91 -1.96 -2.71 115.95 116.98 3a0h h TRP 266 Ca 0.06 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.02 3a0h h TRP 266 Cb 0.73 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.35 3a0h h TRP 266 CO 0.06 0.84 -0.16 1.25 -1.03 0.00 0.00 178.44 179.41 3a0h h LEU 267 N -0.63 -0.48 0.00 0.65 6.46 -1.73 2.03 115.31 121.61 3a0h h LEU 267 Ca -0.01 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3a0h h LEU 267 Cb 0.87 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 3a0h h LEU 267 CO 0.02 -0.18 0.00 1.41 -0.62 0.00 0.00 178.44 179.07 3a0h n HIS 268 N -3.36 0.00 -0.02 1.25 8.25 -0.12 -2.15 115.22 119.07 3a0h n HIS 268 Ca -0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.38 3a0h n HIS 268 Cb 0.13 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 3a0h n HIS 268 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3a0h n PHE 269 N -0.63 0.00 0.25 4.41 7.35 0.10 -4.53 117.46 124.42 3a0h n PHE 269 Ca 0.00 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.84 3a0h n PHE 269 Cb 0.00 -0.19 0.67 0.00 0.35 0.00 0.00 39.48 40.31 3a0h n PHE 269 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 3a0h h PHE 270 N -0.21 0.00 0.00 -5.13 3.57 0.36 2.73 116.94 118.26 3a0h h PHE 270 Ca -0.12 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 3a0h h PHE 270 Cb 0.96 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3a0h h PHE 270 CO -0.03 0.00 -0.27 0.52 -2.23 0.00 0.00 178.31 176.30 3a0h h MET 271 N 0.00 0.00 -0.06 1.11 2.86 -1.69 -2.43 114.93 114.73 3a0h h MET 271 Ca 0.07 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3a0h h MET 271 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 3a0h h MET 271 CO -0.00 0.27 -0.30 1.25 1.06 0.00 0.00 176.91 179.19 3a0h h LEU 272 N 0.00 0.36 0.05 1.22 5.85 0.46 -3.39 115.31 119.86 3a0h h LEU 272 Ca -0.00 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 3a0h h LEU 272 Cb 1.09 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3a0h h LEU 272 CO 0.04 0.96 -0.03 0.15 -0.34 0.00 0.00 178.44 179.22 3a0h h PHE 273 N -0.21 -0.08 0.00 1.25 3.57 -1.31 -3.33 116.94 116.83 3a0h h PHE 273 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3a0h h PHE 273 Cb 0.95 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3a0h h PHE 273 CO 0.13 -0.04 0.00 0.28 -2.23 0.00 0.00 178.31 176.45 3a0h n VAL 274 N -2.28 0.00 0.00 1.41 0.31 -0.93 -1.63 118.33 115.22 3a0h n VAL 274 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3a0h n VAL 274 Cb 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3a0h n VAL 274 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3a0h n PRO 275 N -1.30 0.00 0.00 5.55 -0.02 -1.26 -2.70 135.00 135.28 3a0h n PRO 275 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3a0h n PRO 275 Cb 0.00 -0.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 3a0h n PRO 275 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3a0h n VAL 276 N -0.18 0.00 0.32 -1.45 0.24 -1.07 0.19 118.33 116.38 3a0h n VAL 276 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3a0h n VAL 276 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 3a0h n VAL 276 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 3a0h h THR 277 N 0.00 0.00 -0.66 3.34 2.02 -1.29 -2.63 112.91 113.69 3a0h h THR 277 Ca 0.00 -0.06 0.14 0.00 0.77 0.00 0.00 66.41 67.26 3a0h h THR 277 Cb 0.00 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.29 3a0h h THR 277 CO 0.00 0.00 -0.07 1.23 0.37 0.00 0.00 175.52 177.05 3a0h h GLY 278 N -0.88 0.62 -0.31 2.16 0.00 0.22 0.11 103.07 104.99 3a0h h GLY 278 Ca -0.08 0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.51 3a0h h GLY 278 CO 0.14 -0.24 -0.23 1.41 0.00 0.00 0.00 176.54 177.62 3a0h h LEU 279 N 0.06 -0.81 -0.48 3.11 3.38 -1.45 0.31 115.31 119.43 3a0h h LEU 279 Ca 0.34 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.59 3a0h h LEU 279 Cb 0.55 0.46 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 3a0h h LEU 279 CO -0.62 -0.25 0.10 -0.50 0.09 0.00 0.00 178.44 177.26 3a0h h TRP 280 N -0.08 0.17 0.00 1.13 4.06 -0.43 0.62 115.95 121.42 3a0h h TRP 280 Ca 0.27 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.25 3a0h h TRP 280 Cb 0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.66 3a0h h TRP 280 CO -0.56 0.01 0.07 0.52 -3.56 0.00 0.00 178.44 174.92 3a0h h MET 281 N 0.24 0.00 0.00 0.49 2.86 0.31 0.46 114.93 119.29 3a0h h MET 281 Ca 0.24 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 3a0h h MET 281 Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3a0h h MET 281 CO -0.30 0.00 -0.33 0.77 1.06 0.00 0.00 176.91 178.10 3a0h h SER 282 N 0.00 0.00 -0.98 1.22 0.02 0.21 -2.77 113.55 111.26 3a0h h SER 282 Ca 0.00 -0.32 0.24 0.00 -0.84 0.00 0.00 61.79 60.86 3a0h h SER 282 Cb 0.13 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.60 3a0h h SER 282 CO 0.00 0.85 0.64 0.00 -1.14 0.00 0.00 176.83 177.18 3a0h h ALA 283 N -0.68 2.29 0.19 3.77 0.00 0.11 0.50 119.26 125.45 3a0h h ALA 283 Ca -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3a0h h ALA 283 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3a0h h ALA 283 CO -0.04 -0.62 -0.09 0.82 0.00 0.00 0.00 179.25 179.32 3a0h h ILE 284 N 0.37 0.00 -0.67 0.00 2.04 -0.27 -2.16 117.51 116.83 3a0h h ILE 284 Ca 0.52 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 66.38 3a0h h ILE 284 Cb 1.39 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.36 3a0h h ILE 284 CO -0.21 0.00 -0.27 0.61 0.00 0.00 0.00 178.15 178.28 3a0h n GLY 285 N -0.10 -1.40 0.31 5.37 0.00 -0.36 0.15 105.19 109.15 3a0h n GLY 285 Ca -0.03 0.75 -0.03 0.00 0.00 0.00 0.00 46.02 46.71 3a0h n GLY 285 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a0h h VAL 286 N 0.00 1.23 -0.82 1.61 3.04 -1.04 -0.21 116.25 120.06 3a0h h VAL 286 Ca 0.22 -0.79 0.18 0.00 -1.01 0.00 0.00 66.70 65.30 3a0h h VAL 286 Cb 0.39 0.59 -0.11 0.00 -2.01 0.00 0.00 31.29 30.15 3a0h h VAL 286 CO -0.66 0.30 0.30 0.58 -1.01 0.00 0.00 177.57 177.08 3a0h h VAL 287 N 0.86 0.52 0.06 1.51 2.07 0.20 0.38 116.25 121.86 3a0h h VAL 287 Ca 0.19 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3a0h h VAL 287 Cb 0.27 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3a0h h VAL 287 CO -0.01 0.07 -0.42 1.23 0.02 0.00 0.00 177.57 178.47 3a0h h GLY 288 N 0.37 -1.18 0.49 2.17 0.00 -0.33 0.14 103.07 104.72 3a0h h GLY 288 Ca 0.48 0.63 0.05 0.00 0.00 0.00 0.00 47.33 48.49 3a0h h GLY 288 CO -0.50 -0.31 0.71 1.41 0.00 0.00 0.00 176.54 177.85 3a0h h LEU 289 N -0.57 0.00 0.33 3.11 3.38 -0.10 0.12 115.31 121.58 3a0h h LEU 289 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3a0h h LEU 289 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3a0h h LEU 289 CO -0.24 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.13 3a0h h ALA 290 N 0.74 -0.44 -0.75 1.53 0.00 0.94 -1.98 119.26 119.30 3a0h h ALA 290 Ca 0.08 -0.10 -0.51 0.00 0.00 0.00 0.00 54.91 54.38 3a0h h ALA 290 Cb 1.50 0.17 -0.22 0.00 0.00 0.00 0.00 17.79 19.24 3a0h h ALA 290 CO -0.00 -0.74 0.66 1.28 0.00 0.00 0.00 179.25 180.45 3a0h n LEU 291 N -5.27 7.11 -0.60 0.00 4.77 0.35 -3.26 117.00 120.10 3a0h n LEU 291 Ca -0.10 -3.81 -0.04 0.00 -0.03 0.00 0.00 56.01 52.03 3a0h n LEU 291 Cb 0.20 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.26 3a0h n LEU 291 CO 0.35 1.35 -0.04 0.59 -1.33 0.00 0.00 177.39 178.32 3a0h n ASN 292 N -0.33 -2.19 -4.56 -1.43 3.02 -0.75 -4.82 115.26 104.21 3a0h n ASN 292 Ca 0.47 0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.71 3a0h n ASN 292 Cb 0.63 -1.90 -0.03 0.00 -0.61 0.00 0.00 39.78 37.88 3a0h n ASN 292 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a0h s LEU 293 N -1.50 3.27 0.22 3.41 1.43 -0.87 -4.90 118.68 119.75 3a0h s LEU 293 Ca 0.00 -0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3a0h s LEU 293 Cb 0.00 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 3a0h s LEU 293 CO 0.00 -1.80 -0.05 0.00 0.23 0.00 0.00 176.35 174.73 3a0h s ARG 294 N 5.68 1.34 -0.92 1.70 1.70 -1.26 -2.82 118.95 124.37 3a0h s ARG 294 Ca 0.43 -1.65 -0.07 0.00 -0.47 0.00 0.00 55.73 53.97 3a0h s ARG 294 Cb -0.09 -0.81 0.23 0.00 -0.57 0.00 0.00 34.95 33.71 3a0h s ARG 294 CO 0.19 0.00 0.84 0.45 -1.08 0.00 0.00 175.30 175.70 3a0h s SER 295 N -3.32 6.48 -0.04 -2.89 0.15 -1.26 -4.48 113.70 108.34 3a0h s SER 295 Ca 0.26 -3.36 -0.04 0.00 0.70 0.00 0.00 55.95 53.51 3a0h s SER 295 Cb 0.04 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 3a0h s SER 295 CO 0.08 -0.32 -0.10 0.00 1.20 0.00 0.00 173.24 174.10 3a0h n TYR 296 N 2.94 0.00 0.00 3.44 9.36 -1.26 -4.38 117.16 127.26 3a0h n TYR 296 Ca 0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.41 3a0h n TYR 296 Cb 0.40 -0.23 0.00 0.00 -0.63 0.00 0.00 39.34 38.88 3a0h n TYR 296 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3a0h n ASP 297 N -3.50 0.00 -0.77 2.98 -0.08 -1.26 -4.93 116.55 109.00 3a0h n ASP 297 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 3a0h n ASP 297 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 3a0h n ASP 297 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3a0h n PHE 298 N 0.00 0.00 0.00 -0.67 3.72 -1.26 -4.91 117.46 114.34 3a0h n PHE 298 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3a0h n PHE 298 Cb 0.00 -1.53 0.00 0.00 -0.94 0.00 0.00 39.48 37.01 3a0h n PHE 298 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3a0h n ILE 299 N -1.23 0.00 0.00 4.37 5.41 -1.26 -1.73 119.36 124.91 3a0h n ILE 299 Ca 0.00 1.42 0.00 0.00 1.00 0.00 0.00 62.75 65.17 3a0h n ILE 299 Cb 0.44 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 3a0h n ILE 299 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3a0h n SER 300 N -2.64 0.00 -0.01 4.38 2.88 -1.26 0.62 113.62 117.59 3a0h n SER 300 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3a0h n SER 300 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3a0h n SER 300 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 3a0h h GLN 301 N 0.00 0.00 -1.36 -1.46 1.08 -1.74 -3.35 115.11 108.28 3a0h h GLN 301 Ca 0.00 0.00 0.40 0.00 -1.45 0.00 0.00 58.65 57.60 3a0h h GLN 301 Cb 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.36 3a0h h GLN 301 CO 0.00 0.00 0.97 0.93 -0.95 0.00 0.00 178.83 179.78 3a0h h GLU 302 N -0.15 0.04 -0.22 1.46 4.39 0.26 0.43 114.58 120.79 3a0h h GLU 302 Ca 0.00 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3a0h h GLU 302 Cb 0.01 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3a0h h GLU 302 CO 0.00 0.03 -0.32 0.97 -1.16 0.00 0.00 179.01 178.53 3a0h h ILE 303 N 0.04 1.28 -0.01 3.13 6.09 -1.47 -1.17 117.51 125.40 3a0h h ILE 303 Ca 0.67 -1.39 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 3a0h h ILE 303 Cb 2.56 1.46 0.00 0.00 0.47 0.00 0.00 36.82 41.31 3a0h h ILE 303 CO -0.07 0.43 -0.21 -1.14 -3.07 0.00 0.00 178.15 174.09 3a0h n ARG 304 N -4.08 1.32 0.10 2.19 0.63 0.12 -3.59 116.66 113.35 3a0h n ARG 304 Ca -0.01 -0.91 -0.03 0.00 -0.92 0.00 0.00 57.85 55.98 3a0h n ARG 304 Cb 0.45 -1.48 0.03 0.00 0.45 0.00 0.00 32.46 31.90 3a0h n ARG 304 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3a0h h ALA 305 N 4.02 0.63 -1.20 5.13 0.00 0.57 -3.34 119.26 125.07 3a0h h ALA 305 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3a0h h ALA 305 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3a0h h ALA 305 CO 0.00 0.96 0.00 0.00 0.00 0.00 0.00 179.25 180.21 3a0h n ALA 306 N -2.35 -0.27 -1.00 0.00 0.00 -1.05 -4.61 120.51 111.22 3a0h n ALA 306 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3a0h n ALA 306 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.26 3a0h n ALA 306 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a0h n GLU 307 N -1.47 2.16 -3.69 0.00 1.02 -1.25 -4.32 120.64 113.09 3a0h n GLU 307 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3a0h n GLU 307 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3a0h n GLU 307 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3a0h n ASP 308 N 0.00 -0.91 0.00 1.62 -0.08 -1.26 -4.65 116.55 111.27 3a0h n ASP 308 Ca 0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 3a0h n ASP 308 Cb 0.00 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.01 3a0h n ASP 308 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3a0h n PRO 309 N -2.10 0.00 0.00 -0.67 -0.04 -1.26 -0.58 135.00 130.35 3a0h n PRO 309 Ca -0.04 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 3a0h n PRO 309 Cb 0.16 -1.53 0.04 0.00 -0.04 0.00 0.00 33.50 32.14 3a0h n PRO 309 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3a0h n GLU 310 N -0.97 1.35 -3.41 0.54 0.28 -1.26 -4.94 120.64 112.23 3a0h n GLU 310 Ca 0.00 -1.22 -0.37 0.00 -0.16 0.00 0.00 57.16 55.41 3a0h n GLU 310 Cb 0.03 -1.28 -0.06 0.00 1.43 0.00 0.00 31.44 31.56 3a0h n GLU 310 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3a0h s PHE 311 N -1.45 3.53 -0.11 -1.84 2.19 0.25 -5.06 117.98 115.49 3a0h s PHE 311 Ca 0.16 0.82 -0.05 0.00 0.33 0.00 0.00 56.93 58.20 3a0h s PHE 311 Cb 0.13 -2.45 0.05 0.00 -1.31 0.00 0.00 43.02 39.44 3a0h s PHE 311 CO 0.25 0.26 0.25 -2.00 1.83 0.00 0.00 175.22 175.81 3a0h s GLU 312 N 0.31 0.17 0.41 10.12 2.12 -1.26 -4.98 118.70 125.59 3a0h s GLU 312 Ca 0.23 0.61 0.08 0.00 0.36 0.00 0.00 54.97 56.25 3a0h s GLU 312 Cb -0.15 -0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.12 3a0h s GLU 312 CO 0.09 -0.22 0.33 0.95 -0.54 0.00 0.00 175.26 175.88 3a0h s THR 313 N 1.76 2.63 0.12 -1.70 -4.23 -1.26 -5.00 115.64 107.95 3a0h s THR 313 Ca -0.05 -1.42 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 3a0h s THR 313 Cb -0.11 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 3a0h s THR 313 CO -0.08 -0.01 1.63 -0.26 -0.54 0.00 0.00 174.62 175.36 3a0h h PHE 314 N 1.12 0.58 -0.78 3.99 -1.00 -2.01 -1.86 116.94 116.98 3a0h h PHE 314 Ca -0.42 -0.06 0.11 0.00 2.81 0.00 0.00 57.97 60.41 3a0h h PHE 314 Cb 1.26 -0.17 -0.12 0.00 3.61 0.00 0.00 35.95 40.53 3a0h h PHE 314 CO 0.54 0.57 -0.32 0.98 -1.61 0.00 0.00 178.31 178.47 3a0h n TYR 315 N -4.63 -0.02 0.17 -0.55 -0.00 -1.26 0.24 117.16 111.11 3a0h n TYR 315 Ca -0.01 0.96 -0.12 0.00 -0.00 0.00 0.00 57.90 58.73 3a0h n TYR 315 Cb 0.18 -0.76 -0.07 0.00 -0.00 0.00 0.00 39.34 38.69 3a0h n TYR 315 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3a0h h THR 316 N 0.00 0.45 -1.39 2.97 1.03 -1.96 0.37 112.91 114.39 3a0h h THR 316 Ca 0.25 -0.68 0.41 0.00 -0.01 0.00 0.00 66.41 66.38 3a0h h THR 316 Cb 0.45 0.70 -0.08 0.00 -1.07 0.00 0.00 68.15 68.15 3a0h h THR 316 CO -0.77 0.09 0.97 0.50 -0.01 0.00 0.00 175.52 176.30 3a0h h LYS 317 N -0.96 0.08 0.00 0.00 3.64 0.37 0.15 116.57 119.85 3a0h h LYS 317 Ca -0.05 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3a0h h LYS 317 Cb 0.53 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3a0h h LYS 317 CO 0.08 0.05 -0.33 -0.91 -2.27 0.00 0.00 179.45 176.07 3a0h h ASN 318 N 0.08 0.00 -1.49 4.20 2.35 0.32 -3.32 115.58 117.71 3a0h h ASN 318 Ca 0.72 -0.47 0.44 0.00 -0.55 0.00 0.00 56.30 56.45 3a0h h ASN 318 Cb 2.59 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.88 3a0h h ASN 318 CO -0.14 0.92 1.04 0.25 -1.65 0.00 0.00 177.43 177.85 3a0h h LEU 319 N -1.00 0.10 -0.66 1.61 6.46 0.17 1.00 115.31 122.99 3a0h h LEU 319 Ca -0.07 0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.61 3a0h h LEU 319 Cb 0.70 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 3a0h h LEU 319 CO -0.04 -0.04 -0.28 0.25 -0.62 0.00 0.00 178.44 177.71 3a0h h LEU 320 N 0.05 0.77 -0.01 2.25 6.46 -0.91 -2.63 115.31 121.30 3a0h h LEU 320 Ca 0.77 -0.30 0.03 0.00 -0.12 0.00 0.00 57.88 58.27 3a0h h LEU 320 Cb 2.83 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 42.50 3a0h h LEU 320 CO -0.14 1.00 -0.25 -0.07 -0.62 0.00 0.00 178.44 178.36 3a0h h LEU 321 N 0.64 -0.73 -0.58 2.25 3.38 0.93 -1.96 115.31 119.24 3a0h h LEU 321 Ca 0.08 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3a0h h LEU 321 Cb 0.79 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 3a0h h LEU 321 CO 0.07 -0.31 -0.47 0.78 0.09 0.00 0.00 178.44 178.59 3a0h h ASN 322 N -0.38 -1.65 0.00 -0.43 -0.26 -1.35 0.51 115.58 112.02 3a0h h ASN 322 Ca 0.06 0.23 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 3a0h h ASN 322 Cb 0.47 0.70 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 3a0h h ASN 322 CO -0.23 -0.26 0.69 -0.33 -1.06 0.00 0.00 177.43 176.24 3a0h h GLU 323 N -0.16 0.00 0.07 0.81 5.08 -1.01 0.99 114.58 120.35 3a0h h GLU 323 Ca 0.09 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.19 3a0h h GLU 323 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3a0h h GLU 323 CO -0.63 0.00 -1.41 0.78 -1.00 0.00 0.00 179.01 176.75 3a0h h GLY 324 N 0.00 0.16 0.03 -3.84 0.00 0.38 -3.28 103.07 96.51 3a0h h GLY 324 Ca 0.00 -0.41 0.25 0.00 0.00 0.00 0.00 47.33 47.18 3a0h h GLY 324 CO 0.00 0.36 0.67 -2.22 0.00 0.00 0.00 176.54 175.34 3a0h h ILE 325 N -0.54 0.56 0.00 2.60 2.04 0.19 -2.12 117.51 120.24 3a0h h ILE 325 Ca -0.33 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3a0h h ILE 325 Cb 1.60 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3a0h h ILE 325 CO -0.05 0.05 0.00 0.54 0.00 0.00 0.00 178.15 178.70 3a0h n ARG 326 N -4.47 0.00 -0.27 2.37 1.74 -0.63 -2.93 116.66 112.47 3a0h n ARG 326 Ca 0.22 0.00 0.21 0.00 -0.77 0.00 0.00 57.85 57.51 3a0h n ARG 326 Cb 0.88 -0.64 0.34 0.00 -1.02 0.00 0.00 32.46 32.02 3a0h n ARG 326 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a0h n ALA 327 N -1.50 0.74 -0.06 7.54 0.00 -1.07 -1.29 120.51 124.87 3a0h n ALA 327 Ca 0.00 0.33 -0.22 0.00 0.00 0.00 0.00 53.44 53.55 3a0h n ALA 327 Cb 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 3a0h n ALA 327 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3a0h n TRP 328 N -3.15 0.99 0.03 0.00 7.02 -0.82 -4.68 117.44 116.84 3a0h n TRP 328 Ca 0.19 0.32 -0.20 0.00 -1.02 0.00 0.00 57.50 56.78 3a0h n TRP 328 Cb 0.81 -1.11 -0.14 0.00 -2.42 0.00 0.00 31.31 28.44 3a0h n TRP 328 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a0h h MET 329 N -0.52 0.27 -0.59 -0.99 -0.00 -1.07 -3.39 114.93 108.64 3a0h h MET 329 Ca -0.42 -0.46 0.12 0.00 -0.00 0.00 0.00 59.70 58.94 3a0h h MET 329 Cb 1.65 0.17 -0.11 0.00 -0.00 0.00 0.00 31.60 33.31 3a0h h MET 329 CO -0.10 1.22 -0.13 0.00 -0.00 0.00 0.00 176.91 177.90 3a0h n ALA 330 N -2.75 0.16 -0.27 -3.00 0.00 -1.00 0.07 120.51 113.73 3a0h n ALA 330 Ca -0.16 0.65 0.07 0.00 0.00 0.00 0.00 53.44 54.00 3a0h n ALA 330 Cb 0.82 -0.40 0.31 0.00 0.00 0.00 0.00 19.45 20.19 3a0h n ALA 330 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3a0h h PRO 331 N 0.00 0.83 0.00 0.00 0.13 -1.85 0.87 132.00 131.97 3a0h h PRO 331 Ca 0.29 -0.05 -0.23 0.00 -0.87 0.00 0.00 66.00 65.14 3a0h h PRO 331 Cb 0.46 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 31.37 3a0h h PRO 331 CO -0.60 0.55 -2.21 1.04 -0.23 0.00 0.00 178.00 176.54 3a0h n GLN 332 N -4.52 0.68 0.00 0.86 6.02 0.11 -4.08 117.38 116.44 3a0h n GLN 332 Ca 0.15 -0.07 -0.18 0.00 -0.01 0.00 0.00 57.00 56.89 3a0h n GLN 332 Cb 0.31 -1.53 -0.09 0.00 1.02 0.00 0.00 30.24 29.94 3a0h n GLN 332 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 3a0h h ASP 333 N 0.00 0.74 -2.73 1.08 -0.00 -0.67 -3.35 116.42 111.50 3a0h h ASP 333 Ca -0.34 -0.70 -0.70 0.00 -0.00 0.00 0.00 57.03 55.29 3a0h h ASP 333 Cb 1.78 -0.22 -0.35 0.00 -0.00 0.00 0.00 39.33 40.53 3a0h h ASP 333 CO 0.02 1.33 0.02 0.00 -0.00 0.00 0.00 179.24 180.61 3a0h n GLN 334 N -4.07 3.25 -0.10 0.28 6.02 0.29 -4.89 117.38 118.15 3a0h n GLN 334 Ca -0.09 -4.59 0.01 0.00 -0.01 0.00 0.00 57.00 52.32 3a0h n GLN 334 Cb 0.72 -2.39 0.29 0.00 1.02 0.00 0.00 30.24 29.89 3a0h n GLN 334 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3a0h h PRO 335 N 5.07 0.75 0.00 -1.09 0.13 -1.71 -2.95 132.00 132.20 3a0h h PRO 335 Ca 0.19 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a0h h PRO 335 Cb 0.68 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3a0h h PRO 335 CO 1.02 0.57 0.00 -2.39 -0.23 0.00 0.00 178.00 176.97 3a0h n HIS 336 N -4.38 0.00 0.88 1.56 1.44 -1.26 -1.26 115.22 112.20 3a0h n HIS 336 Ca 0.05 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.85 3a0h n HIS 336 Cb 0.11 -0.18 -0.11 0.00 0.12 0.00 0.00 29.99 29.94 3a0h n HIS 336 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 3a0h n GLU 337 N -1.18 0.75 -4.09 -1.40 4.07 -1.11 -4.98 120.64 112.70 3a0h n GLU 337 Ca 0.06 -0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.87 3a0h n GLU 337 Cb 0.06 -1.39 -0.04 0.00 -0.06 0.00 0.00 31.44 30.00 3a0h n GLU 337 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3a0h n ASN 338 N -1.46 -0.21 -4.71 4.31 4.13 -0.39 -4.86 115.26 112.08 3a0h n ASN 338 Ca 0.03 -1.09 -0.35 0.00 1.68 0.00 0.00 54.58 54.85 3a0h n ASN 338 Cb 0.30 -2.59 0.10 0.00 -1.54 0.00 0.00 39.78 36.04 3a0h n ASN 338 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3a0h n PHE 339 N -4.45 1.56 -3.60 3.10 3.72 -1.26 -5.02 117.46 111.51 3a0h n PHE 339 Ca -0.28 0.41 -0.18 0.00 -0.05 0.00 0.00 57.45 57.36 3a0h n PHE 339 Cb 0.67 -2.18 -0.15 0.00 -0.94 0.00 0.00 39.48 36.88 3a0h n PHE 339 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3a0h s VAL 340 N -1.75 -0.28 -0.27 -4.37 1.01 -1.26 -4.93 120.40 108.54 3a0h s VAL 340 Ca 0.78 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.93 3a0h s VAL 340 Cb -0.34 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 35.65 3a0h s VAL 340 CO 0.46 -0.01 -0.06 -0.36 0.00 0.00 0.00 175.10 175.13 3a0h s PHE 341 N 2.30 3.17 0.61 5.22 0.08 -1.26 -5.10 117.98 123.01 3a0h s PHE 341 Ca 0.04 -2.35 -0.19 0.00 0.12 0.00 0.00 56.93 54.55 3a0h s PHE 341 Cb -0.14 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 3a0h s PHE 341 CO -0.08 -0.88 1.27 -2.14 -0.10 0.00 0.00 175.22 173.29 3a0h s PRO 342 N 1.13 2.79 0.19 0.24 0.02 -1.26 -4.83 135.00 133.27 3a0h s PRO 342 Ca -0.04 1.99 0.09 0.00 0.02 0.00 0.00 61.00 63.07 3a0h s PRO 342 Cb -0.19 -1.92 0.66 0.00 0.02 0.00 0.00 34.50 33.06 3a0h s PRO 342 CO -0.06 -1.39 0.84 0.39 -0.33 0.00 0.00 177.00 176.44 3a0h n GLU 343 N -1.68 -0.03 0.13 5.54 -0.58 -1.26 -1.61 120.64 121.15 3a0h n GLU 343 Ca 0.14 0.75 -0.11 0.00 -0.42 0.00 0.00 57.16 57.52 3a0h n GLU 343 Cb 0.48 -1.31 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 3a0h n GLU 343 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3a0h h GLU 344 N 0.00 -0.38 -0.53 3.49 4.11 -2.05 -3.33 114.58 115.89 3a0h h GLU 344 Ca 0.43 0.03 0.15 0.00 0.07 0.00 0.00 59.36 60.04 3a0h h GLU 344 Cb 1.10 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3a0h h GLU 344 CO -0.43 -0.06 0.75 -0.39 0.07 0.00 0.00 179.01 178.95 3a0h h VAL 345 N -0.94 0.15 -2.80 -1.06 -1.51 -1.65 -3.42 116.25 105.02 3a0h h VAL 345 Ca -0.04 0.00 -0.54 0.00 -1.23 0.00 0.00 66.70 64.88 3a0h h VAL 345 Cb 0.50 0.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.02 3a0h h VAL 345 CO 0.07 0.00 0.93 -0.76 -1.23 0.00 0.00 177.57 176.57 3a0h s LEU 346 N -6.62 4.31 0.14 4.19 2.01 -1.25 -4.98 118.68 116.48 3a0h s LEU 346 Ca -0.03 2.16 -0.31 0.00 0.01 0.00 0.00 54.13 55.96 3a0h s LEU 346 Cb 0.13 -3.55 -0.09 0.00 0.01 0.00 0.00 46.19 42.69 3a0h s LEU 346 CO 0.43 -0.80 1.42 -2.16 1.01 0.00 0.00 176.35 176.25 3a0h s PRO 347 N 2.93 4.30 -0.02 1.29 0.04 -1.26 -5.03 135.00 137.24 3a0h s PRO 347 Ca 0.67 2.14 -0.28 0.00 0.04 0.00 0.00 61.00 63.57 3a0h s PRO 347 Cb -0.32 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.06 3a0h s PRO 347 CO 0.27 -0.46 0.62 1.03 0.04 0.00 0.00 177.00 178.50 3a0h s ARG 348 N 0.93 1.03 0.80 4.56 0.52 -1.26 -5.00 118.95 120.54 3a0h s ARG 348 Ca 0.65 0.11 -0.10 0.00 -0.52 0.00 0.00 55.73 55.86 3a0h s ARG 348 Cb -0.38 0.48 0.11 0.00 0.52 0.00 0.00 34.95 35.68 3a0h s ARG 348 CO 0.32 -0.34 1.14 0.20 0.02 0.00 0.00 175.30 176.64 3a0h s GLY 349 N -1.40 1.69 -0.33 -3.53 0.00 -1.26 -4.96 107.32 97.53 3a0h s GLY 349 Ca -0.10 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.34 3a0h s GLY 349 CO 0.06 -0.46 1.49 0.21 0.00 0.00 0.00 173.10 174.40 3a0h s ASN 350 N -4.65 6.36 0.00 1.64 2.47 -1.26 -3.83 114.94 115.67 3a0h s ASN 350 Ca 0.65 1.17 0.00 0.00 0.42 0.00 0.00 52.86 55.09 3a0h s ASN 350 Cb -0.09 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 3a0h s ASN 350 CO 0.48 -1.35 0.00 0.00 -3.72 0.00 0.00 177.10 172.51 3a0h n ALA 351 N 8.66 0.00 -0.32 1.71 0.00 -1.26 -5.37 120.51 123.93 3a0h n ALA 351 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3a0h n ALA 351 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3a0h n ALA 351 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97