#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4h s THR 5 N 0.00 4.62 -0.12 1.09 2.01 0.12 -4.75 115.64 118.62 3a4h s THR 5 Ca 0.00 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.17 3a4h s THR 5 Cb 0.00 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.75 3a4h s THR 5 CO 0.00 -0.76 0.63 0.35 -0.69 0.00 0.00 174.62 174.15 3a4h n THR 6 N -2.34 0.20 0.00 -0.82 -2.24 -1.26 -4.51 114.28 103.31 3a4h n THR 6 Ca 0.02 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3a4h n THR 6 Cb 0.56 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3a4h n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a4h n GLY 7 N -0.04 -1.02 0.38 3.38 0.00 -1.26 -4.91 105.19 101.72 3a4h n GLY 7 Ca 0.01 -1.57 0.14 0.00 0.00 0.00 0.00 46.02 44.60 3a4h n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4h h THR 8 N -0.11 0.80 -3.39 2.61 1.03 -1.98 -3.39 112.91 108.48 3a4h h THR 8 Ca 0.00 -0.18 -0.49 0.00 -0.01 0.00 0.00 66.41 65.73 3a4h h THR 8 Cb 0.00 0.23 -0.34 0.00 -1.07 0.00 0.00 68.15 66.97 3a4h h THR 8 CO 0.00 0.10 -0.80 -0.70 -0.01 0.00 0.00 175.52 174.10 3a4h s GLU 9 N -5.52 1.45 -0.38 0.00 2.12 -1.26 -5.12 118.70 109.99 3a4h s GLU 9 Ca -0.09 -0.31 -0.19 0.00 0.36 0.00 0.00 54.97 54.75 3a4h s GLU 9 Cb 0.22 -1.29 0.01 0.00 0.26 0.00 0.00 34.13 33.32 3a4h s GLU 9 CO 0.78 -0.05 0.54 1.14 -0.54 0.00 0.00 175.26 177.13 3a4h s GLN 10 N 0.90 3.45 0.26 4.30 -2.07 -1.26 -4.72 119.66 120.53 3a4h s GLN 10 Ca -0.11 -0.30 -0.04 0.00 -1.82 0.00 0.00 55.36 53.10 3a4h s GLN 10 Cb -0.15 -3.87 -0.05 0.00 -1.09 0.00 0.00 33.01 27.85 3a4h s GLN 10 CO 0.01 -0.78 0.51 -1.01 -1.32 0.00 0.00 175.29 172.70 3a4h s HIS 11 N 2.49 3.48 0.24 9.60 3.76 -1.26 -4.76 115.29 128.84 3a4h s HIS 11 Ca 0.19 0.56 -0.30 0.00 -0.15 0.00 0.00 55.06 55.36 3a4h s HIS 11 Cb -0.15 -2.03 -0.09 0.00 1.11 0.00 0.00 32.58 31.41 3a4h s HIS 11 CO 0.15 0.23 1.09 -0.51 -0.85 0.00 0.00 174.74 174.85 3a4h s ASP 12 N -3.16 7.29 -0.19 1.40 1.01 -1.26 0.16 116.67 121.92 3a4h s ASP 12 Ca 0.42 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.88 3a4h s ASP 12 Cb -0.11 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.22 3a4h s ASP 12 CO 0.30 -0.15 -0.17 -0.76 0.21 0.00 0.00 175.17 174.59 3a4h s LEU 13 N -1.05 2.37 -1.45 1.23 1.43 -1.26 -4.21 118.68 115.74 3a4h s LEU 13 Ca 0.46 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3a4h s LEU 13 Cb -0.31 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.39 3a4h s LEU 13 CO 0.38 -0.02 0.00 0.49 0.23 0.00 0.00 176.35 177.43 3a4h n PHE 14 N 4.63 -1.04 -3.80 0.29 3.72 -1.26 -4.27 117.46 115.73 3a4h n PHE 14 Ca -0.20 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.13 3a4h n PHE 14 Cb 0.49 -3.23 -0.02 0.00 -0.94 0.00 0.00 39.48 35.79 3a4h n PHE 14 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3a4h s SER 15 N -2.10 -0.27 0.94 4.37 1.04 -1.26 -4.99 113.70 111.43 3a4h s SER 15 Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3a4h s SER 15 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3a4h s SER 15 CO 0.00 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.61 3a4h n GLY 16 N -0.45 2.87 0.25 7.32 0.00 -1.26 -1.59 105.19 112.32 3a4h n GLY 16 Ca -0.05 0.30 0.14 0.00 0.00 0.00 0.00 46.02 46.40 3a4h n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a4h h THR 17 N 0.00 0.18 -0.62 2.61 1.35 -1.96 -3.27 112.91 111.20 3a4h h THR 17 Ca 0.00 -0.84 0.13 0.00 -0.55 0.00 0.00 66.41 65.15 3a4h h THR 17 Cb 0.00 1.71 -0.11 0.00 -1.73 0.00 0.00 68.15 68.03 3a4h h THR 17 CO 0.00 0.08 0.00 0.15 -0.25 0.00 0.00 175.52 175.50 3a4h h PHE 18 N 0.00 -0.04 0.00 4.73 3.04 -1.47 -1.54 116.94 121.66 3a4h h PHE 18 Ca -0.00 0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 3a4h h PHE 18 Cb 0.71 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.33 3a4h h PHE 18 CO 0.00 -0.17 -0.16 -1.49 -2.02 0.00 0.00 178.31 174.47 3a4h h TRP 19 N 0.12 0.00 0.00 0.41 4.06 -1.75 -1.28 115.95 117.51 3a4h h TRP 19 Ca 0.33 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.22 3a4h h TRP 19 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 3a4h h TRP 19 CO -0.37 0.16 -0.23 0.37 -3.56 0.00 0.00 178.44 174.81 3a4h h GLN 20 N 0.00 0.15 -1.72 0.49 5.75 -1.51 -3.43 115.11 114.84 3a4h h GLN 20 Ca -0.00 -0.16 -0.20 0.00 -0.15 0.00 0.00 58.65 58.14 3a4h h GLN 20 Cb 0.33 0.05 -0.29 0.00 1.07 0.00 0.00 27.48 28.64 3a4h h GLN 20 CO 0.02 0.92 -0.54 1.21 -2.65 0.00 0.00 178.83 177.79 3a4h s ASN 21 N -6.30 0.43 0.00 -0.69 2.47 -0.88 -5.02 114.94 104.95 3a4h s ASN 21 Ca -0.16 -0.43 0.29 0.00 0.42 0.00 0.00 52.86 52.98 3a4h s ASN 21 Cb 0.00 1.08 1.32 0.00 -1.45 0.00 0.00 41.25 42.20 3a4h s ASN 21 CO 0.74 -0.35 1.91 -0.81 -3.72 0.00 0.00 177.10 174.86 3a4h n PRO 22 N 5.32 0.75 -0.07 0.43 -0.04 -0.51 -4.35 135.00 136.52 3a4h n PRO 22 Ca 0.01 -0.23 -0.15 0.00 -0.04 0.00 0.00 63.50 63.09 3a4h n PRO 22 Cb 0.49 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 3a4h n PRO 22 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3a4h h HIS 23 N 0.56 1.07 -0.10 0.54 3.86 -1.95 -1.69 115.15 117.44 3a4h h HIS 23 Ca 0.00 -0.39 -0.08 0.00 -1.16 0.00 0.00 60.37 58.74 3a4h h HIS 23 Cb 0.32 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3a4h h HIS 23 CO 0.00 1.21 -0.29 -1.35 0.86 0.00 0.00 177.93 178.36 3a4h h PRO 24 N 0.64 0.18 -0.48 2.45 0.11 -2.00 -0.24 132.00 132.66 3a4h h PRO 24 Ca 0.01 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 3a4h h PRO 24 Cb 1.18 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3a4h h PRO 24 CO 0.12 0.46 -0.08 0.00 -0.21 0.00 0.00 178.00 178.29 3a4h h ALA 25 N 1.55 0.95 -0.42 -0.75 0.00 -1.79 -0.88 119.26 117.92 3a4h h ALA 25 Ca 0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 3a4h h ALA 25 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3a4h h ALA 25 CO 0.04 0.62 -0.06 1.88 0.00 0.00 0.00 179.25 181.74 3a4h h TYR 26 N 0.78 0.86 -0.75 0.00 0.05 -0.87 -1.20 116.97 115.84 3a4h h TYR 26 Ca 0.13 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3a4h h TYR 26 Cb 0.58 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 3a4h h TYR 26 CO 0.03 0.87 0.44 0.00 -1.05 0.00 0.00 178.16 178.46 3a4h h ALA 27 N 0.87 1.36 -0.19 3.88 0.00 -0.94 -0.17 119.26 124.06 3a4h h ALA 27 Ca 0.11 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3a4h h ALA 27 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3a4h h ALA 27 CO 0.03 0.55 -0.37 0.00 0.00 0.00 0.00 179.25 179.46 3a4h h ALA 28 N 1.44 1.01 0.02 0.00 0.00 -0.94 -2.66 119.26 118.14 3a4h h ALA 28 Ca 0.27 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3a4h h ALA 28 Cb -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3a4h h ALA 28 CO -0.05 0.60 -0.37 -0.07 0.00 0.00 0.00 179.25 179.36 3a4h h LEU 29 N 0.35 0.30 -1.33 0.00 3.38 -0.68 -1.81 115.31 115.51 3a4h h LEU 29 Ca 0.04 -0.81 0.17 0.00 0.09 0.00 0.00 57.88 57.37 3a4h h LEU 29 Cb 0.81 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 3a4h h LEU 29 CO 0.07 1.07 0.59 0.03 0.09 0.00 0.00 178.44 180.29 3a4h h ARG 30 N -0.44 0.57 0.07 1.13 3.08 -1.09 0.12 114.38 117.83 3a4h h ARG 30 Ca -0.05 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 3a4h h ARG 30 Cb 1.15 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3a4h h ARG 30 CO 0.07 0.38 -0.77 0.00 -1.07 0.00 0.00 179.97 178.58 3a4h h ALA 31 N 1.61 0.05 0.00 0.04 0.00 -1.50 -3.42 119.26 116.03 3a4h h ALA 31 Ca 0.47 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3a4h h ALA 31 Cb 0.92 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3a4h h ALA 31 CO -0.22 0.41 -1.14 0.39 0.00 0.00 0.00 179.25 178.70 3a4h n GLU 32 N -4.26 0.66 -2.92 0.00 1.02 -0.68 -4.87 120.64 109.59 3a4h n GLU 32 Ca -0.18 -0.04 -0.14 0.00 -0.02 0.00 0.00 57.16 56.78 3a4h n GLU 32 Cb 0.72 -1.08 0.01 0.00 -0.02 0.00 0.00 31.44 31.07 3a4h n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3a4h n ASP 33 N -1.62 -1.58 0.23 1.62 2.03 -0.06 -4.98 116.55 112.19 3a4h n ASP 33 Ca -0.01 -3.15 0.07 0.00 0.52 0.00 0.00 54.79 52.22 3a4h n ASP 33 Cb 0.13 0.89 0.55 0.00 -0.72 0.00 0.00 41.12 41.96 3a4h n ASP 33 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3a4h h PRO 34 N 3.78 0.00 -4.25 -0.67 0.13 -1.57 -3.35 132.00 126.06 3a4h h PRO 34 Ca -0.05 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.43 3a4h h PRO 34 Cb 0.99 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.72 3a4h h PRO 34 CO 0.36 0.20 -0.71 0.08 -0.23 0.00 0.00 178.00 177.70 3a4h s VAL 35 N -4.40 2.13 -0.24 1.56 1.01 -1.26 -2.34 120.40 116.86 3a4h s VAL 35 Ca -0.03 -2.42 -0.03 0.00 0.00 0.00 0.00 61.98 59.50 3a4h s VAL 35 Cb 0.15 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.98 3a4h s VAL 35 CO 0.67 -0.66 -0.04 -0.60 0.00 0.00 0.00 175.10 174.47 3a4h s ARG 36 N 0.75 3.04 -0.28 2.72 6.06 -0.86 -4.84 118.95 125.54 3a4h s ARG 36 Ca 0.12 -0.85 -0.29 0.00 -2.50 0.00 0.00 55.73 52.22 3a4h s ARG 36 Cb -0.20 -3.03 -0.01 0.00 0.06 0.00 0.00 34.95 31.77 3a4h s ARG 36 CO -0.08 -0.34 1.48 0.21 -2.50 0.00 0.00 175.30 174.07 3a4h s LYS 37 N 1.39 3.78 -0.21 5.12 2.20 -1.26 -0.39 119.74 130.37 3a4h s LYS 37 Ca 0.02 1.39 -0.10 0.00 -0.36 0.00 0.00 55.97 56.92 3a4h s LYS 37 Cb -0.16 -3.99 -0.05 0.00 -1.51 0.00 0.00 37.83 32.13 3a4h s LYS 37 CO -0.04 -1.30 0.12 -0.51 -0.36 0.00 0.00 175.35 173.27 3a4h s LEU 38 N 5.03 4.10 -1.45 5.43 1.43 0.16 -4.90 118.68 128.47 3a4h s LEU 38 Ca 0.65 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.82 3a4h s LEU 38 Cb -0.20 -2.07 0.04 0.00 0.03 0.00 0.00 46.19 43.99 3a4h s LEU 38 CO 0.28 0.14 2.50 0.00 0.23 0.00 0.00 176.35 179.50 3a4h n ALA 39 N 3.76 6.67 -1.62 4.21 0.00 -1.26 -1.16 120.51 131.11 3a4h n ALA 39 Ca -0.16 -3.88 -0.34 0.00 0.00 0.00 0.00 53.44 49.06 3a4h n ALA 39 Cb 0.52 -3.16 0.03 0.00 0.00 0.00 0.00 19.45 16.84 3a4h n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a4h s LEU 40 N -0.23 3.55 0.27 0.00 1.43 -1.24 -4.94 118.68 117.52 3a4h s LEU 40 Ca 0.57 2.16 -0.01 0.00 -1.03 0.00 0.00 54.13 55.82 3a4h s LEU 40 Cb 0.16 -4.57 0.61 0.00 0.03 0.00 0.00 46.19 42.42 3a4h s LEU 40 CO -0.07 -1.55 1.66 1.55 0.23 0.00 0.00 176.35 178.17 3a4h h PRO 41 N 0.53 0.24 0.40 1.29 0.13 -2.02 -2.99 132.00 129.59 3a4h h PRO 41 Ca -0.49 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 3a4h h PRO 41 Cb 1.27 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3a4h h PRO 41 CO 0.55 0.16 -0.19 -0.44 -0.23 0.00 0.00 178.00 177.84 3a4h h ASP 42 N 0.24 -0.46 -5.05 1.44 5.19 -2.00 -3.49 116.42 112.31 3a4h h ASP 42 Ca 0.50 -0.06 0.09 0.00 -0.62 0.00 0.00 57.03 56.94 3a4h h ASP 42 Cb 0.94 0.12 -0.09 0.00 0.18 0.00 0.00 39.33 40.48 3a4h h ASP 42 CO -0.60 -0.02 0.34 -0.83 -3.12 0.00 0.00 179.24 175.02 3a4h s GLY 43 N -2.90 -0.29 0.56 2.75 0.00 -1.13 -5.15 107.32 101.16 3a4h s GLY 43 Ca -0.10 0.17 -0.21 0.00 0.00 0.00 0.00 44.72 44.58 3a4h s GLY 43 CO 0.33 0.05 1.31 -4.14 0.00 0.00 0.00 173.10 170.64 3a4h s PRO 44 N -3.57 3.07 -0.15 2.90 0.02 -1.26 -3.65 135.00 132.36 3a4h s PRO 44 Ca 0.09 2.11 -0.08 0.00 0.02 0.00 0.00 61.00 63.13 3a4h s PRO 44 Cb -0.03 -2.15 0.06 0.00 0.02 0.00 0.00 34.50 32.39 3a4h s PRO 44 CO -0.01 -1.20 0.37 0.54 -0.33 0.00 0.00 177.00 176.37 3a4h s VAL 45 N -1.38 -0.03 0.04 3.83 0.11 -0.31 -4.46 120.40 118.21 3a4h s VAL 45 Ca 0.74 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.68 3a4h s VAL 45 Cb -0.37 -0.55 -0.06 0.00 -1.53 0.00 0.00 36.38 33.86 3a4h s VAL 45 CO 0.43 0.04 0.61 0.26 -3.33 0.00 0.00 175.10 173.12 3a4h s TRP 46 N 1.34 3.76 -0.24 1.54 0.52 -0.23 0.38 118.94 126.02 3a4h s TRP 46 Ca -0.09 1.29 0.02 0.00 0.02 0.00 0.00 56.10 57.34 3a4h s TRP 46 Cb -0.09 -2.60 0.05 0.00 -1.15 0.00 0.00 33.47 29.68 3a4h s TRP 46 CO -0.11 0.45 -0.13 -1.17 0.02 0.00 0.00 176.95 176.00 3a4h s LEU 47 N -0.62 3.09 -0.24 2.99 2.96 0.48 0.06 118.68 127.39 3a4h s LEU 47 Ca 0.31 -1.18 -0.18 0.00 -0.22 0.00 0.00 54.13 52.86 3a4h s LEU 47 Cb -0.19 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 3a4h s LEU 47 CO 0.19 -0.14 0.50 -0.76 -1.32 0.00 0.00 176.35 174.82 3a4h s LEU 48 N 1.16 4.08 -0.01 -0.68 1.02 -0.63 -2.03 118.68 121.58 3a4h s LEU 48 Ca -0.05 0.54 0.09 0.00 0.02 0.00 0.00 54.13 54.73 3a4h s LEU 48 Cb -0.18 -2.65 -0.13 0.00 0.02 0.00 0.00 46.19 43.25 3a4h s LEU 48 CO -0.07 -0.24 0.22 0.35 0.02 0.00 0.00 176.35 176.63 3a4h n THR 49 N 4.96 0.00 -2.86 5.49 -2.24 -0.99 0.01 114.28 118.66 3a4h n THR 49 Ca -0.05 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.12 3a4h n THR 49 Cb 0.50 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 3a4h n THR 49 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3a4h s ARG 50 N -2.51 4.67 0.08 -0.78 0.52 -1.26 -2.40 118.95 117.27 3a4h s ARG 50 Ca -0.02 1.31 -0.24 0.00 -0.52 0.00 0.00 55.73 56.25 3a4h s ARG 50 Cb 0.06 -3.16 -0.10 0.00 0.52 0.00 0.00 34.95 32.27 3a4h s ARG 50 CO 0.37 0.48 1.39 -0.92 0.02 0.00 0.00 175.30 176.64 3a4h h TYR 51 N 3.97 -1.11 -0.56 -0.53 5.03 -1.89 -1.96 116.97 119.93 3a4h h TYR 51 Ca -0.46 0.04 0.07 0.00 2.58 0.00 0.00 58.73 60.95 3a4h h TYR 51 Cb 1.20 0.48 -0.03 0.00 1.55 0.00 0.00 36.73 39.93 3a4h h TYR 51 CO 0.62 -0.40 0.37 0.00 -1.32 0.00 0.00 178.16 177.43 3a4h h ALA 52 N -0.75 1.90 0.21 1.82 0.00 -1.94 0.14 119.26 120.65 3a4h h ALA 52 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3a4h h ALA 52 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3a4h h ALA 52 CO -0.25 -0.00 -0.10 -0.44 0.00 0.00 0.00 179.25 178.45 3a4h h ASP 53 N 0.48 -0.24 -0.17 0.00 3.32 -1.89 -2.43 116.42 115.48 3a4h h ASP 53 Ca 0.25 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3a4h h ASP 53 Cb 0.35 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3a4h h ASP 53 CO -0.07 0.04 0.10 0.58 -1.72 0.00 0.00 179.24 178.17 3a4h h VAL 54 N -0.54 1.09 -0.71 -1.35 2.07 -0.71 -0.24 116.25 115.85 3a4h h VAL 54 Ca -0.03 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.38 3a4h h VAL 54 Cb 0.40 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 3a4h h VAL 54 CO 0.05 0.08 0.30 -0.09 0.02 0.00 0.00 177.57 177.93 3a4h h ARG 55 N 0.18 0.46 0.00 1.57 1.12 -0.79 -1.99 114.38 114.94 3a4h h ARG 55 Ca 0.06 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 3a4h h ARG 55 Cb 0.05 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.90 3a4h h ARG 55 CO -0.01 0.30 -0.76 1.49 -3.11 0.00 0.00 179.97 177.88 3a4h h GLU 56 N 0.47 0.00 0.00 0.20 4.57 -1.29 -3.31 114.58 115.23 3a4h h GLU 56 Ca 0.38 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.43 3a4h h GLU 56 Cb 0.51 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3a4h h GLU 56 CO -0.35 0.00 -0.58 0.00 -1.18 0.00 0.00 179.01 176.90 3a4h h ALA 57 N 2.11 0.98 -0.59 2.92 0.00 -0.30 -2.87 119.26 121.52 3a4h h ALA 57 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3a4h h ALA 57 Cb 0.94 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3a4h h ALA 57 CO 0.00 0.73 0.29 0.74 0.00 0.00 0.00 179.25 181.01 3a4h h PHE 58 N 0.00 0.85 -0.56 0.00 -1.00 -1.55 -2.71 116.94 111.97 3a4h h PHE 58 Ca -0.01 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.62 3a4h h PHE 58 Cb 1.06 -0.26 -0.07 0.00 3.61 0.00 0.00 35.95 40.29 3a4h h PHE 58 CO 0.00 0.64 0.15 1.33 -1.61 0.00 0.00 178.31 178.82 3a4h n VAL 59 N -4.53 2.41 -3.14 -0.55 0.24 -1.19 -4.81 118.33 106.74 3a4h n VAL 59 Ca 0.04 -1.26 -0.42 0.00 -2.04 0.00 0.00 64.34 60.66 3a4h n VAL 59 Cb 0.12 -0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 32.03 3a4h n VAL 59 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3a4h s ASP 60 N -0.70 6.35 0.50 -1.34 3.68 -1.03 -4.95 116.67 119.19 3a4h s ASP 60 Ca 0.45 -0.16 0.16 0.00 2.13 0.00 0.00 52.55 55.14 3a4h s ASP 60 Cb 0.35 -2.31 1.23 0.00 -1.45 0.00 0.00 42.92 40.74 3a4h s ASP 60 CO 0.12 -0.66 2.10 1.55 0.13 0.00 0.00 175.17 178.41 3a4h h PRO 61 N 8.67 0.09 0.00 4.34 0.13 -1.90 -1.04 132.00 142.29 3a4h h PRO 61 Ca -0.26 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3a4h h PRO 61 Cb 1.11 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3a4h h PRO 61 CO 0.85 0.06 0.00 0.54 -0.23 0.00 0.00 178.00 179.22 3a4h n ARG 62 N -4.50 0.19 -3.57 0.86 1.74 -1.26 -4.46 116.66 105.66 3a4h n ARG 62 Ca 0.01 0.37 -0.39 0.00 -0.77 0.00 0.00 57.85 57.07 3a4h n ARG 62 Cb 0.20 -1.83 -0.11 0.00 -1.02 0.00 0.00 32.46 29.70 3a4h n ARG 62 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a4h s LEU 63 N -4.39 4.25 0.25 0.55 1.43 -0.40 -0.02 118.68 120.36 3a4h s LEU 63 Ca 0.06 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 3a4h s LEU 63 Cb 0.10 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 3a4h s LEU 63 CO 0.42 -0.15 -0.14 -0.94 0.23 0.00 0.00 176.35 175.78 3a4h s SER 64 N 1.72 2.99 0.00 2.29 1.04 0.27 -4.81 113.70 117.19 3a4h s SER 64 Ca 0.06 -1.08 0.26 0.00 0.48 0.00 0.00 55.95 55.67 3a4h s SER 64 Cb -0.17 -0.21 0.62 0.00 0.10 0.00 0.00 66.02 66.36 3a4h s SER 64 CO 0.10 -0.16 1.48 0.29 0.98 0.00 0.00 173.24 175.94 3a4h n LYS 65 N -0.53 0.30 -2.35 4.02 4.76 -1.26 -0.80 118.16 122.30 3a4h n LYS 65 Ca -0.06 -0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 54.78 3a4h n LYS 65 Cb 0.61 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.28 3a4h n LYS 65 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3a4h s ASP 66 N -2.82 6.71 0.12 4.39 3.68 -1.26 -4.72 116.67 122.76 3a4h s ASP 66 Ca 0.16 1.48 0.20 0.00 2.13 0.00 0.00 52.55 56.51 3a4h s ASP 66 Cb 0.18 -2.54 0.81 0.00 -1.45 0.00 0.00 42.92 39.93 3a4h s ASP 66 CO 0.63 -1.01 1.61 -2.67 0.13 0.00 0.00 175.17 173.86 3a4h n TRP 67 N 7.43 0.39 0.34 -5.34 4.27 -1.26 -3.13 117.44 120.14 3a4h n TRP 67 Ca 0.15 0.15 0.14 0.00 -3.89 0.00 0.00 57.50 54.05 3a4h n TRP 67 Cb 0.46 -0.74 0.59 0.00 -1.36 0.00 0.00 31.31 30.25 3a4h n TRP 67 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3a4h h ARG 68 N 0.00 0.00 0.00 -2.67 3.08 -1.90 -2.64 114.38 110.25 3a4h h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3a4h h ARG 68 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3a4h h ARG 68 CO 0.00 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.35 3a4h h HIS 69 N 0.00 0.00 0.00 3.04 3.86 -1.91 -2.04 115.15 118.11 3a4h h HIS 69 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 3a4h h HIS 69 Cb 0.34 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 3a4h h HIS 69 CO 0.00 0.00 -0.84 1.79 0.86 0.00 0.00 177.93 179.74 3a4h h THR 70 N 0.00 1.54 -3.87 2.45 1.35 -1.68 -3.36 112.91 109.35 3a4h h THR 70 Ca 0.00 -2.71 -0.47 0.00 -0.55 0.00 0.00 66.41 62.68 3a4h h THR 70 Cb 0.16 2.48 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 3a4h h THR 70 CO 0.00 0.78 0.28 -0.76 -0.25 0.00 0.00 175.52 175.57 3a4h s LEU 71 N -7.28 4.18 0.61 3.87 1.43 -0.77 -4.95 118.68 115.77 3a4h s LEU 71 Ca -0.01 1.66 -0.19 0.00 -1.03 0.00 0.00 54.13 54.56 3a4h s LEU 71 Cb 0.11 -4.12 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 3a4h s LEU 71 CO 0.81 -0.16 1.10 -0.81 0.23 0.00 0.00 176.35 177.52 3a4h n PRO 72 N 0.11 1.04 -0.34 1.29 -0.04 -1.26 -4.75 135.00 131.05 3a4h n PRO 72 Ca 0.03 0.40 0.15 0.00 -0.04 0.00 0.00 63.50 64.04 3a4h n PRO 72 Cb 0.52 -2.31 0.34 0.00 -0.04 0.00 0.00 33.50 32.01 3a4h n PRO 72 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3a4h h GLU 73 N 0.60 0.59 -0.02 0.54 4.81 -1.94 0.38 114.58 119.54 3a4h h GLU 73 Ca -0.49 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.53 3a4h h GLU 73 Cb 1.35 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3a4h h GLU 73 CO 0.52 0.39 -0.76 0.38 -0.73 0.00 0.00 179.01 178.81 3a4h h ASP 74 N 0.60 0.18 1.09 1.04 2.03 -2.00 -3.28 116.42 116.07 3a4h h ASP 74 Ca 0.60 -0.13 -0.01 0.00 -0.73 0.00 0.00 57.03 56.76 3a4h h ASP 74 Cb 1.07 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.52 3a4h h ASP 74 CO -0.45 0.86 -0.07 1.56 -1.03 0.00 0.00 179.24 180.11 3a4h h GLN 75 N 0.09 0.00 0.00 4.15 4.20 -1.26 -3.13 115.11 119.16 3a4h h GLN 75 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3a4h h GLN 75 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 3a4h h GLN 75 CO 0.11 0.07 -0.50 0.07 -0.67 0.00 0.00 178.83 177.91 3a4h h ARG 76 N 0.00 0.00 -0.26 1.46 0.11 -1.58 -3.31 114.38 110.80 3a4h h ARG 76 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3a4h h ARG 76 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3a4h h ARG 76 CO 0.01 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.08 3a4h n ALA 77 N -1.91 1.97 0.00 0.08 0.00 -1.18 -2.94 120.51 116.53 3a4h n ALA 77 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3a4h n ALA 77 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3a4h n ALA 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3a4h n ASP 78 N -0.18 2.59 -4.80 0.00 4.64 -1.25 -5.08 116.55 112.48 3a4h n ASP 78 Ca 0.00 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.03 3a4h n ASP 78 Cb 0.06 0.12 -0.06 0.00 -1.04 0.00 0.00 41.12 40.20 3a4h n ASP 78 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 3a4h s MET 79 N -1.59 4.41 0.53 -0.67 -1.94 -1.15 -5.06 119.30 113.83 3a4h s MET 79 Ca 0.00 1.01 -0.21 0.00 -1.71 0.00 0.00 55.69 54.78 3a4h s MET 79 Cb 0.00 -3.08 -0.05 0.00 2.01 0.00 0.00 34.83 33.71 3a4h s MET 79 CO 0.00 0.49 1.26 -1.25 -0.01 0.00 0.00 175.02 175.51 3a4h s PRO 80 N -1.53 3.28 0.10 2.03 0.04 -1.26 -4.97 135.00 132.68 3a4h s PRO 80 Ca 0.39 1.99 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 3a4h s PRO 80 Cb -0.20 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 3a4h s PRO 80 CO 0.23 -1.00 1.50 0.00 0.04 0.00 0.00 177.00 177.77 3a4h h ALA 81 N 1.49 0.41 -3.08 8.56 0.00 -1.97 -3.46 119.26 121.22 3a4h h ALA 81 Ca -0.50 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 53.90 3a4h h ALA 81 Cb 1.28 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.76 3a4h h ALA 81 CO 0.58 0.22 -0.72 0.95 0.00 0.00 0.00 179.25 180.28 3a4h s THR 82 N -4.81 0.37 0.03 0.00 -4.23 -1.26 -4.53 115.64 101.20 3a4h s THR 82 Ca -0.13 -1.02 -0.25 0.00 -1.18 0.00 0.00 61.69 59.10 3a4h s THR 82 Cb 0.08 -0.48 -0.17 0.00 1.34 0.00 0.00 72.50 73.27 3a4h s THR 82 CO 0.78 -0.44 1.43 -0.65 -0.54 0.00 0.00 174.62 175.20 3a4h h PRO 83 N 4.54 -0.18 -5.30 3.99 0.11 -1.99 -3.44 132.00 129.72 3a4h h PRO 83 Ca -0.34 0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.21 3a4h h PRO 83 Cb 1.20 0.04 -0.31 0.00 0.11 0.00 0.00 31.00 32.04 3a4h h PRO 83 CO 0.41 0.09 -0.84 -0.08 -0.21 0.00 0.00 178.00 177.38 3a4h s THR 84 N -5.12 1.44 -0.64 -1.15 -1.32 -1.26 -5.06 115.64 102.53 3a4h s THR 84 Ca -0.15 -0.72 -0.17 0.00 -1.21 0.00 0.00 61.69 59.44 3a4h s THR 84 Cb 0.03 -1.24 -0.14 0.00 -1.51 0.00 0.00 72.50 69.64 3a4h s THR 84 CO 0.63 0.42 1.85 -0.81 -2.21 0.00 0.00 174.62 174.50 3a4h n PRO 85 N 3.15 1.34 -3.31 7.08 -0.04 -1.26 -4.87 135.00 137.08 3a4h n PRO 85 Ca -0.18 -1.52 -0.38 0.00 -0.04 0.00 0.00 63.50 61.38 3a4h n PRO 85 Cb 0.53 -2.66 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 3a4h n PRO 85 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3a4h s MET 86 N 4.83 4.31 0.50 0.54 -1.94 -1.26 -4.62 119.30 121.67 3a4h s MET 86 Ca 0.49 0.48 0.15 0.00 -1.71 0.00 0.00 55.69 55.10 3a4h s MET 86 Cb 0.12 -3.41 1.21 0.00 2.01 0.00 0.00 34.83 34.75 3a4h s MET 86 CO 0.10 0.21 2.12 0.00 -0.01 0.00 0.00 175.02 177.44 3a4h h MET 87 N 6.50 0.03 0.00 2.03 -0.00 -1.94 -1.60 114.93 119.95 3a4h h MET 87 Ca -0.42 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.28 3a4h h MET 87 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 3a4h h MET 87 CO 0.74 0.05 0.00 1.51 -0.00 0.00 0.00 176.91 179.21 3a4h n ILE 88 N -4.50 1.11 0.98 -0.10 0.13 -1.26 -0.66 119.36 115.06 3a4h n ILE 88 Ca -0.03 0.49 0.12 0.00 -1.10 0.00 0.00 62.75 62.23 3a4h n ILE 88 Cb 0.11 -1.44 0.10 0.00 -0.84 0.00 0.00 39.64 37.57 3a4h n ILE 88 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3a4h n LEU 89 N -2.06 3.01 -4.54 9.51 4.77 -0.60 -4.98 117.00 122.10 3a4h n LEU 89 Ca 0.00 -1.01 -0.25 0.00 -0.03 0.00 0.00 56.01 54.72 3a4h n LEU 89 Cb 0.11 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 3a4h n LEU 89 CO 0.12 0.51 -0.42 -0.04 -1.33 0.00 0.00 177.39 176.22 3a4h s MET 90 N -1.98 1.95 0.29 3.23 -1.94 0.17 -4.29 119.30 116.72 3a4h s MET 90 Ca 0.28 -1.49 0.08 0.00 -1.71 0.00 0.00 55.69 52.86 3a4h s MET 90 Cb 0.20 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.99 3a4h s MET 90 CO 0.30 0.38 0.11 -0.51 -0.01 0.00 0.00 175.02 175.29 3a4h s ASP 91 N -3.24 4.85 0.65 3.03 -0.00 -1.26 -4.69 116.67 116.02 3a4h s ASP 91 Ca 0.28 -0.59 -0.17 0.00 -0.00 0.00 0.00 52.55 52.06 3a4h s ASP 91 Cb -0.07 -0.94 -0.03 0.00 -0.00 0.00 0.00 42.92 41.88 3a4h s ASP 91 CO 0.16 -0.13 0.94 -2.65 -0.00 0.00 0.00 175.17 173.50 3a4h n PRO 92 N -1.07 0.73 -0.03 8.23 -0.02 -1.26 -1.88 135.00 139.70 3a4h n PRO 92 Ca -0.05 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.84 3a4h n PRO 92 Cb 0.59 -2.17 0.56 0.00 -0.02 0.00 0.00 33.50 32.46 3a4h n PRO 92 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3a4h n PRO 93 N -1.31 1.41 -0.11 0.52 -0.04 -1.26 -4.82 135.00 129.38 3a4h n PRO 93 Ca 0.14 -0.60 -0.13 0.00 -0.04 0.00 0.00 63.50 62.87 3a4h n PRO 93 Cb 0.48 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3a4h n PRO 93 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3a4h h ASP 94 N 1.31 0.83 -0.34 3.54 3.32 -1.79 -2.74 116.42 120.55 3a4h h ASP 94 Ca 0.00 -0.46 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 3a4h h ASP 94 Cb 0.28 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3a4h h ASP 94 CO 0.00 1.11 0.03 -0.74 -1.72 0.00 0.00 179.24 177.92 3a4h h HIS 95 N 0.55 0.62 -0.76 4.55 2.76 -1.65 -3.19 115.15 118.04 3a4h h HIS 95 Ca 0.06 -0.10 0.06 0.00 -2.20 0.00 0.00 60.37 58.19 3a4h h HIS 95 Cb 0.86 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.60 3a4h h HIS 95 CO 0.07 0.67 0.45 1.15 -1.30 0.00 0.00 177.93 178.97 3a4h h THR 96 N 0.40 1.00 -0.60 6.26 2.02 -1.81 0.70 112.91 120.88 3a4h h THR 96 Ca 0.10 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 3a4h h THR 96 Cb 0.40 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 3a4h h THR 96 CO 0.01 0.15 0.28 -0.09 0.37 0.00 0.00 175.52 176.24 3a4h h ARG 97 N 0.82 0.87 -0.01 6.66 2.43 -1.50 -0.07 114.38 123.57 3a4h h ARG 97 Ca 0.34 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3a4h h ARG 97 Cb 0.19 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3a4h h ARG 97 CO -0.18 0.71 -0.04 -0.07 -1.51 0.00 0.00 179.97 178.87 3a4h h LEU 98 N 0.82 0.06 -0.71 3.80 3.38 -1.41 -2.92 115.31 118.33 3a4h h LEU 98 Ca 0.20 -0.63 0.11 0.00 0.09 0.00 0.00 57.88 57.66 3a4h h LEU 98 Cb 0.13 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 3a4h h LEU 98 CO -0.02 0.68 0.32 -0.09 0.09 0.00 0.00 178.44 179.41 3a4h h ARG 99 N -0.56 0.50 -0.24 1.13 9.65 -0.85 -0.70 114.38 123.32 3a4h h ARG 99 Ca -0.00 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3a4h h ARG 99 Cb 0.67 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 3a4h h ARG 99 CO 0.01 0.33 0.11 -0.22 2.80 0.00 0.00 179.97 183.00 3a4h h LYS 100 N 0.52 0.23 0.11 0.20 3.64 -1.05 -1.11 116.57 119.12 3a4h h LYS 100 Ca 0.37 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3a4h h LYS 100 Cb 0.47 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3a4h h LYS 100 CO -0.32 0.15 -0.05 -0.07 -2.27 0.00 0.00 179.45 176.89 3a4h h LEU 101 N 0.24 -0.13 -0.56 5.20 3.38 -1.21 -2.74 115.31 119.49 3a4h h LEU 101 Ca 0.10 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3a4h h LEU 101 Cb 0.03 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3a4h h LEU 101 CO -0.07 0.22 0.24 0.58 0.09 0.00 0.00 178.44 179.50 3a4h h VAL 102 N -0.49 0.86 -0.12 1.22 2.07 -1.15 -2.03 116.25 116.61 3a4h h VAL 102 Ca -0.02 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3a4h h VAL 102 Cb 0.40 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3a4h h VAL 102 CO 0.03 0.08 0.10 1.23 0.02 0.00 0.00 177.57 179.02 3a4h h GLY 103 N 0.45 0.00 1.17 2.17 0.00 -1.15 0.67 103.07 106.38 3a4h h GLY 103 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3a4h h GLY 103 CO -0.24 0.00 0.37 3.21 0.00 0.00 0.00 176.54 179.89 3a4h h ARG 104 N 0.00 1.08 0.00 4.80 3.08 -1.05 -3.36 114.38 118.94 3a4h h ARG 104 Ca 0.06 -0.14 -0.27 0.00 0.07 0.00 0.00 59.98 59.69 3a4h h ARG 104 Cb 0.25 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3a4h h ARG 104 CO -0.00 0.82 -2.03 -1.13 -1.07 0.00 0.00 179.97 176.57 3a4h n SER 105 N -4.33 2.28 -4.29 7.04 3.41 -0.61 -4.70 113.62 112.42 3a4h n SER 105 Ca 0.07 -0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3a4h n SER 105 Cb 0.13 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3a4h n SER 105 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3a4h n PHE 106 N -2.90 4.30 -2.98 7.33 7.35 0.22 -4.90 117.46 125.88 3a4h n PHE 106 Ca -0.30 -3.00 -0.23 0.00 -0.76 0.00 0.00 57.45 53.16 3a4h n PHE 106 Cb 0.88 -2.41 0.01 0.00 0.35 0.00 0.00 39.48 38.31 3a4h n PHE 106 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3a4h s THR 107 N 2.80 4.12 0.41 -2.13 -4.23 -1.26 -4.57 115.64 110.78 3a4h s THR 107 Ca 0.48 -0.44 0.29 0.00 -1.18 0.00 0.00 61.69 60.84 3a4h s THR 107 Cb 0.05 -3.53 0.31 0.00 1.34 0.00 0.00 72.50 70.67 3a4h s THR 107 CO 0.02 -0.38 2.08 0.58 -0.54 0.00 0.00 174.62 176.38 3a4h h VAL 108 N 0.40 0.50 -0.27 2.29 2.07 -1.93 -2.72 116.25 116.59 3a4h h VAL 108 Ca -0.46 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 3a4h h VAL 108 Cb 1.25 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 3a4h h VAL 108 CO 0.58 0.10 -0.03 0.03 0.02 0.00 0.00 177.57 178.27 3a4h h ARG 109 N 0.00 0.49 -0.69 1.57 3.08 -1.97 -1.17 114.38 115.69 3a4h h ARG 109 Ca -0.00 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 3a4h h ARG 109 Cb 0.32 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3a4h h ARG 109 CO 0.01 0.68 0.21 -0.09 -1.07 0.00 0.00 179.97 179.72 3a4h h ARG 110 N 0.26 1.08 -0.85 0.04 2.43 -1.88 -0.94 114.38 114.52 3a4h h ARG 110 Ca 0.07 -0.23 0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3a4h h ARG 110 Cb 0.48 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 3a4h h ARG 110 CO 0.02 0.93 0.49 0.52 -1.51 0.00 0.00 179.97 180.43 3a4h h MET 111 N 1.02 0.81 0.01 0.20 2.86 -1.31 -2.70 114.93 115.81 3a4h h MET 111 Ca 0.22 -0.05 -0.19 0.00 -2.06 0.00 0.00 59.70 57.62 3a4h h MET 111 Cb 0.31 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3a4h h MET 111 CO -0.01 0.54 -0.88 -0.91 1.06 0.00 0.00 176.91 176.71 3a4h h ASN 112 N 0.83 0.18 0.37 1.22 -0.26 -0.90 -3.29 115.58 113.74 3a4h h ASN 112 Ca 0.40 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 56.00 3a4h h ASN 112 Cb 0.35 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 3a4h h ASN 112 CO -0.24 0.96 0.00 -0.62 -1.06 0.00 0.00 177.43 176.47 3a4h n GLU 113 N -3.62 0.27 0.02 0.81 1.02 -0.39 -2.32 120.64 116.44 3a4h n GLU 113 Ca -0.03 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.34 3a4h n GLU 113 Cb 0.81 -1.50 0.31 0.00 -0.02 0.00 0.00 31.44 31.04 3a4h n GLU 113 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3a4h n LEU 114 N -1.29 0.45 -0.19 -4.62 4.77 -1.17 -4.50 117.00 110.45 3a4h n LEU 114 Ca 0.09 0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 3a4h n LEU 114 Cb 0.16 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3a4h n LEU 114 CO 0.15 0.06 0.71 -0.08 -1.33 0.00 0.00 177.39 176.89 3a4h h GLU 115 N 0.00 -0.06 -0.39 3.23 4.22 -1.67 0.13 114.58 120.03 3a4h h GLU 115 Ca 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.39 3a4h h GLU 115 Cb 0.56 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3a4h h GLU 115 CO 0.00 -0.04 0.01 -1.35 -2.18 0.00 0.00 179.01 175.45 3a4h h PRO 116 N -0.07 0.62 -0.39 0.92 0.11 -1.85 -2.56 132.00 128.78 3a4h h PRO 116 Ca 0.27 -0.14 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 3a4h h PRO 116 Cb 0.49 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3a4h h PRO 116 CO -0.63 0.63 0.02 0.00 -0.21 0.00 0.00 178.00 177.80 3a4h h ARG 117 N 0.59 0.68 -0.83 1.05 2.47 -1.29 -3.01 114.38 114.04 3a4h h ARG 117 Ca 0.12 -0.21 0.04 0.00 -1.26 0.00 0.00 59.98 58.68 3a4h h ARG 117 Cb 0.36 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.56 3a4h h ARG 117 CO 0.01 0.77 0.52 0.82 0.56 0.00 0.00 179.97 182.65 3a4h h ILE 118 N 0.51 1.09 -0.59 2.04 2.04 -0.63 -2.63 117.51 119.34 3a4h h ILE 118 Ca 0.11 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.68 3a4h h ILE 118 Cb 0.45 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 3a4h h ILE 118 CO 0.02 0.18 0.33 0.74 0.00 0.00 0.00 178.15 179.42 3a4h h THR 119 N 0.99 1.00 0.00 -0.27 2.02 -1.34 -1.75 112.91 113.57 3a4h h THR 119 Ca 0.34 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 3a4h h THR 119 Cb 0.07 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3a4h h THR 119 CO -0.14 0.12 -0.15 -0.33 0.37 0.00 0.00 175.52 175.38 3a4h h GLU 120 N 0.63 0.00 -0.00 6.66 5.08 -1.35 0.22 114.58 125.82 3a4h h GLU 120 Ca 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3a4h h GLU 120 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3a4h h GLU 120 CO -0.15 0.15 -0.02 0.82 -1.00 0.00 0.00 179.01 178.82 3a4h h ILE 121 N 0.00 1.50 0.14 3.13 2.04 -1.16 -1.67 117.51 121.48 3a4h h ILE 121 Ca -0.00 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 3a4h h ILE 121 Cb 0.45 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3a4h h ILE 121 CO 0.02 0.39 -0.07 0.00 0.00 0.00 0.00 178.15 178.49 3a4h h ALA 122 N 0.38 -0.18 -0.79 1.87 0.00 -0.94 -0.77 119.26 118.83 3a4h h ALA 122 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3a4h h ALA 122 Cb 0.64 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3a4h h ALA 122 CO 0.00 -0.53 0.51 -0.44 0.00 0.00 0.00 179.25 178.79 3a4h h ASP 123 N -0.32 0.86 0.22 0.00 3.45 -0.71 0.24 116.42 120.16 3a4h h ASP 123 Ca -0.02 -0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.44 3a4h h ASP 123 Cb 0.26 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 3a4h h ASP 123 CO 0.03 0.60 -0.26 1.23 -1.57 0.00 0.00 179.24 179.27 3a4h h GLY 124 N 1.01 -0.55 1.01 2.75 0.00 -1.18 0.10 103.07 106.21 3a4h h GLY 124 Ca 0.30 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.93 3a4h h GLY 124 CO -0.09 -0.23 0.49 1.41 0.00 0.00 0.00 176.54 178.12 3a4h h LEU 125 N -0.53 0.96 -0.88 3.11 3.38 -0.68 -2.50 115.31 118.17 3a4h h LEU 125 Ca 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3a4h h LEU 125 Cb 0.51 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3a4h h LEU 125 CO -0.09 0.74 0.43 -0.07 0.09 0.00 0.00 178.44 179.54 3a4h h LEU 126 N 1.10 1.12 -1.88 1.67 3.38 -0.37 -2.58 115.31 117.75 3a4h h LEU 126 Ca 0.29 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3a4h h LEU 126 Cb -0.05 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.41 3a4h h LEU 126 CO -0.06 0.93 -0.13 0.00 0.09 0.00 0.00 178.44 179.27 3a4h h ALA 127 N 1.24 1.39 -0.48 1.53 0.00 -0.53 -2.68 119.26 119.73 3a4h h ALA 127 Ca 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3a4h h ALA 127 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3a4h h ALA 127 CO -0.04 0.16 0.01 0.41 0.00 0.00 0.00 179.25 179.79 3a4h n GLY 128 N -0.80 2.75 3.32 0.00 0.00 -0.97 -4.91 105.19 104.57 3a4h n GLY 128 Ca -0.02 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 3a4h n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4h s LEU 129 N -2.29 2.54 0.28 0.99 1.43 -1.01 -5.07 118.68 115.54 3a4h s LEU 129 Ca 0.45 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 3a4h s LEU 129 Cb 0.35 -1.56 -0.10 0.00 0.03 0.00 0.00 46.19 44.91 3a4h s LEU 129 CO 0.13 0.15 1.37 -2.16 0.23 0.00 0.00 176.35 176.07 3a4h s PRO 130 N 0.45 4.31 0.21 1.29 0.04 -1.26 -4.94 135.00 135.10 3a4h s PRO 130 Ca -0.11 2.25 -0.09 0.00 0.04 0.00 0.00 61.00 63.08 3a4h s PRO 130 Cb -0.16 -3.10 0.31 0.00 0.04 0.00 0.00 34.50 31.59 3a4h s PRO 130 CO 0.05 -0.31 1.72 1.15 0.04 0.00 0.00 177.00 179.65 3a4h h THR 131 N 3.34 0.67 -3.56 1.26 2.02 -1.98 -3.37 112.91 111.30 3a4h h THR 131 Ca -0.47 -0.11 -0.71 0.00 0.77 0.00 0.00 66.41 65.89 3a4h h THR 131 Cb 1.22 0.33 -0.21 0.00 -1.74 0.00 0.00 68.15 67.75 3a4h h THR 131 CO 0.72 0.06 -0.45 -0.62 0.37 0.00 0.00 175.52 175.60 3a4h s ASP 132 N -5.32 6.05 0.00 4.18 3.68 -1.26 -0.64 116.67 123.36 3a4h s ASP 132 Ca -0.13 -0.79 0.00 0.00 2.13 0.00 0.00 52.55 53.76 3a4h s ASP 132 Cb 0.18 -2.14 0.00 0.00 -1.45 0.00 0.00 42.92 39.51 3a4h s ASP 132 CO 0.74 -0.39 0.00 0.61 0.13 0.00 0.00 175.17 176.26 3a4h n GLY 133 N 5.13 -0.71 3.78 2.66 0.00 -1.26 -4.95 105.19 109.85 3a4h n GLY 133 Ca -0.11 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3a4h n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4h s PRO 134 N 0.00 4.53 0.02 1.61 0.05 -1.26 -5.03 135.00 134.91 3a4h s PRO 134 Ca 0.00 1.18 0.06 0.00 0.05 0.00 0.00 61.00 62.28 3a4h s PRO 134 Cb 0.00 -3.01 -0.02 0.00 0.05 0.00 0.00 34.50 31.52 3a4h s PRO 134 CO 0.00 0.42 -0.17 0.14 0.05 0.00 0.00 177.00 177.44 3a4h s VAL 135 N -1.40 1.35 -0.64 -0.36 -7.23 0.21 -4.90 120.40 107.42 3a4h s VAL 135 Ca 0.43 -0.93 -0.27 0.00 -1.81 0.00 0.00 61.98 59.40 3a4h s VAL 135 Cb -0.20 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.59 3a4h s VAL 135 CO 0.25 0.22 1.39 -0.62 -0.31 0.00 0.00 175.10 176.03 3a4h s ASP 136 N -0.82 6.07 0.50 4.85 3.68 -1.26 -0.14 116.67 129.56 3a4h s ASP 136 Ca 0.05 -0.04 0.23 0.00 2.13 0.00 0.00 52.55 54.93 3a4h s ASP 136 Cb -0.07 -2.55 1.32 0.00 -1.45 0.00 0.00 42.92 40.17 3a4h s ASP 136 CO 0.01 -1.82 2.06 0.25 0.13 0.00 0.00 175.17 175.79 3a4h h LEU 137 N 13.34 0.00 0.06 -1.34 5.85 -1.55 -1.65 115.31 130.02 3a4h h LEU 137 Ca -0.27 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3a4h h LEU 137 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3a4h h LEU 137 CO 1.23 0.13 -0.03 0.24 -0.34 0.00 0.00 178.44 179.67 3a4h h MET 138 N 0.00 -0.08 -0.28 1.25 2.86 -1.89 0.18 114.93 116.97 3a4h h MET 138 Ca -0.00 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3a4h h MET 138 Cb 0.31 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3a4h h MET 138 CO 0.02 -0.05 0.19 -0.09 1.06 0.00 0.00 176.91 178.03 3a4h h ARG 139 N -0.11 0.21 0.00 1.72 9.65 -1.81 0.72 114.38 124.76 3a4h h ARG 139 Ca -0.01 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3a4h h ARG 139 Cb 0.06 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3a4h h ARG 139 CO 0.01 0.14 -1.56 0.39 2.80 0.00 0.00 179.97 181.75 3a4h n GLU 140 N -4.49 0.64 0.10 0.20 -0.58 -0.63 -4.63 120.64 111.24 3a4h n GLU 140 Ca 0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3a4h n GLU 140 Cb 0.20 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.41 3a4h n GLU 140 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 3a4h n TYR 141 N -2.46 -1.49 0.10 -0.32 4.19 -0.72 -4.79 117.16 111.67 3a4h n TYR 141 Ca -0.03 0.26 -0.04 0.00 3.31 0.00 0.00 57.90 61.41 3a4h n TYR 141 Cb 0.57 0.41 0.13 0.00 0.49 0.00 0.00 39.34 40.94 3a4h n TYR 141 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3a4h h ALA 142 N 0.00 0.88 0.00 2.98 0.00 -0.56 -2.56 119.26 120.00 3a4h h ALA 142 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3a4h h ALA 142 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3a4h h ALA 142 CO 0.00 0.75 -0.26 0.74 0.00 0.00 0.00 179.25 180.48 3a4h h PHE 143 N 0.12 0.00 0.02 0.00 0.05 0.23 -3.37 116.94 113.98 3a4h h PHE 143 Ca -0.01 0.00 -0.19 0.00 3.82 0.00 0.00 57.97 61.59 3a4h h PHE 143 Cb 1.12 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.05 3a4h h PHE 143 CO 0.02 0.26 -1.04 1.96 -0.18 0.00 0.00 178.31 179.32 3a4h h GLN 144 N 0.00 0.03 -0.20 1.51 1.08 -1.67 -3.38 115.11 112.48 3a4h h GLN 144 Ca -0.00 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3a4h h GLN 144 Cb 0.58 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.99 3a4h h GLN 144 CO 0.03 1.03 -0.07 0.82 -0.95 0.00 0.00 178.83 179.69 3a4h h ILE 145 N -0.90 0.74 -0.36 2.54 2.04 -1.66 -2.10 117.51 117.81 3a4h h ILE 145 Ca -0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3a4h h ILE 145 Cb 1.31 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3a4h h ILE 145 CO -0.13 0.00 0.16 -0.65 0.00 0.00 0.00 178.15 177.53 3a4h h PRO 146 N -0.04 0.50 0.07 2.37 0.11 -1.78 -1.10 132.00 132.13 3a4h h PRO 146 Ca 0.11 -0.06 -0.26 0.00 0.11 0.00 0.00 66.00 65.90 3a4h h PRO 146 Cb 0.19 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.21 3a4h h PRO 146 CO -0.23 0.40 -1.11 -0.24 -0.21 0.00 0.00 178.00 176.62 3a4h h VAL 147 N 0.50 1.42 -0.43 3.15 3.04 -1.66 -2.55 116.25 119.72 3a4h h VAL 147 Ca 0.13 -2.69 -0.09 0.00 -1.01 0.00 0.00 66.70 63.03 3a4h h VAL 147 Cb 0.08 2.67 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 3a4h h VAL 147 CO -0.02 0.80 -0.09 1.56 -1.01 0.00 0.00 177.57 178.81 3a4h h GLN 148 N 0.17 0.82 -0.77 4.17 4.20 -1.25 -2.69 115.11 119.76 3a4h h GLN 148 Ca -0.12 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.27 3a4h h GLN 148 Cb 1.78 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.48 3a4h h GLN 148 CO 0.19 0.93 0.43 0.28 -0.67 0.00 0.00 178.83 180.00 3a4h h VAL 149 N 0.65 1.23 -0.73 -0.54 2.07 -1.25 -1.93 116.25 115.74 3a4h h VAL 149 Ca 0.11 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3a4h h VAL 149 Cb 0.62 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3a4h h VAL 149 CO 0.04 0.25 0.36 0.40 0.02 0.00 0.00 177.57 178.64 3a4h h ILE 150 N 1.06 1.23 -0.48 4.57 2.04 -1.43 -0.91 117.51 123.60 3a4h h ILE 150 Ca 0.27 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3a4h h ILE 150 Cb 0.01 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3a4h h ILE 150 CO -0.05 0.27 0.31 0.00 0.00 0.00 0.00 178.15 178.68 3a4h h GLU 152 N 0.64 0.70 0.11 0.00 4.39 -0.79 1.08 114.58 120.71 3a4h h GLU 152 Ca 0.17 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3a4h h GLU 152 Cb -0.06 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3a4h h GLU 152 CO -0.04 0.61 -0.05 1.25 -1.16 0.00 0.00 179.01 179.62 3a4h h LEU 153 N 0.69 -0.13 -0.51 1.33 5.85 -0.90 -3.27 115.31 118.37 3a4h h LEU 153 Ca 0.16 -0.32 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 3a4h h LEU 153 Cb 0.20 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3a4h h LEU 153 CO -0.01 0.27 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.57 3a4h h LEU 154 N -0.55 0.00 -0.31 2.25 3.38 -0.98 0.11 115.31 119.21 3a4h h LEU 154 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3a4h h LEU 154 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3a4h h LEU 154 CO 0.02 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.89 3a4h n GLY 155 N 0.63 1.07 3.68 0.83 0.00 0.36 -3.26 105.19 108.49 3a4h n GLY 155 Ca -0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3a4h n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4h s VAL 156 N -2.31 3.47 0.24 1.61 1.01 -0.22 -4.94 120.40 119.25 3a4h s VAL 156 Ca 0.00 0.76 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 3a4h s VAL 156 Cb 0.00 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.76 3a4h s VAL 156 CO 0.00 -0.03 1.42 -2.65 0.00 0.00 0.00 175.10 173.83 3a4h n PRO 157 N 6.23 2.06 -0.34 2.72 -0.02 -1.26 -4.82 135.00 139.57 3a4h n PRO 157 Ca 0.16 0.73 0.36 0.00 -2.02 0.00 0.00 63.50 62.74 3a4h n PRO 157 Cb 0.42 -2.40 0.75 0.00 -0.02 0.00 0.00 33.50 32.26 3a4h n PRO 157 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a4h h ALA 158 N 4.23 3.16 -0.31 3.55 0.00 -2.00 0.17 119.26 128.07 3a4h h ALA 158 Ca -0.45 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3a4h h ALA 158 Cb 1.27 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3a4h h ALA 158 CO 0.76 -1.56 -0.35 0.93 0.00 0.00 0.00 179.25 179.04 3a4h h GLU 159 N 0.00 0.78 -0.00 0.00 3.07 -2.03 -3.23 114.58 113.17 3a4h h GLU 159 Ca 0.59 -0.43 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3a4h h GLU 159 Cb 2.42 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 30.35 3a4h h GLU 159 CO -0.01 1.05 -0.02 -0.25 -1.40 0.00 0.00 179.01 178.39 3a4h n ASP 160 N -4.18 0.10 0.05 1.42 8.00 0.57 -4.16 116.55 118.35 3a4h n ASP 160 Ca -0.04 -0.52 -0.09 0.00 0.71 0.00 0.00 54.79 54.86 3a4h n ASP 160 Cb 0.51 -0.16 0.05 0.00 -0.02 0.00 0.00 41.12 41.50 3a4h n ASP 160 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3a4h h ARG 161 N 0.13 0.39 -0.20 -1.24 3.08 -1.54 -1.65 114.38 113.35 3a4h h ARG 161 Ca 0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3a4h h ARG 161 Cb 0.21 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3a4h h ARG 161 CO 0.00 0.94 0.07 -0.44 -1.07 0.00 0.00 179.97 179.47 3a4h h ASP 162 N 0.27 0.28 -0.98 7.04 5.19 -1.80 -1.19 116.42 125.23 3a4h h ASP 162 Ca -0.02 -0.19 0.02 0.00 -0.62 0.00 0.00 57.03 56.22 3a4h h ASP 162 Cb 1.25 -0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.64 3a4h h ASP 162 CO 0.12 0.39 0.64 0.44 -3.12 0.00 0.00 179.24 177.71 3a4h h ASP 163 N 0.15 1.10 -0.12 6.45 5.19 -1.80 -1.02 116.42 126.37 3a4h h ASP 163 Ca 0.06 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3a4h h ASP 163 Cb 0.20 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 3a4h h ASP 163 CO -0.00 0.78 -0.02 0.15 -3.12 0.00 0.00 179.24 177.03 3a4h h PHE 164 N 1.29 0.24 -0.57 4.55 3.57 -1.13 -2.56 116.94 122.33 3a4h h PHE 164 Ca 0.37 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.76 3a4h h PHE 164 Cb -0.09 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3a4h h PHE 164 CO -0.00 0.50 0.11 0.77 -2.23 0.00 0.00 178.31 177.46 3a4h h SER 165 N -0.08 0.84 -0.19 0.41 0.02 -1.14 -1.83 113.55 111.58 3a4h h SER 165 Ca 0.03 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3a4h h SER 165 Cb 0.41 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3a4h h SER 165 CO 0.01 0.83 -0.09 0.00 -1.14 0.00 0.00 176.83 176.45 3a4h h ALA 166 N 1.27 0.08 -0.01 3.77 0.00 -1.09 -1.71 119.26 121.57 3a4h h ALA 166 Ca 0.18 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 3a4h h ALA 166 Cb 0.35 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3a4h h ALA 166 CO 0.00 -0.51 -0.43 -1.49 0.00 0.00 0.00 179.25 176.82 3a4h h TRP 167 N -0.06 0.04 -0.37 0.00 6.55 -1.31 -3.08 115.95 117.72 3a4h h TRP 167 Ca 0.10 -0.01 -0.09 0.00 0.95 0.00 0.00 58.89 59.84 3a4h h TRP 167 Cb 0.22 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 28.49 3a4h h TRP 167 CO -0.24 0.46 -0.14 0.77 -1.05 0.00 0.00 178.44 178.24 3a4h h SER 168 N 0.03 0.65 -0.18 -3.49 0.02 -0.77 -2.99 113.55 106.83 3a4h h SER 168 Ca -0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 3a4h h SER 168 Cb 0.78 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3a4h h SER 168 CO 0.06 0.82 0.05 0.28 -1.14 0.00 0.00 176.83 176.90 3a4h h SER 169 N 0.60 0.32 -0.92 3.07 0.02 -1.23 -2.65 113.55 112.76 3a4h h SER 169 Ca 0.10 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3a4h h SER 169 Cb 0.59 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3a4h h SER 169 CO 0.04 0.34 0.58 0.58 -1.14 0.00 0.00 176.83 177.23 3a4h h VAL 170 N 0.35 1.24 -0.46 2.27 2.07 -1.61 -1.74 116.25 118.37 3a4h h VAL 170 Ca 0.09 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 3a4h h VAL 170 Cb 0.15 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3a4h h VAL 170 CO -0.00 0.24 -0.26 -0.07 0.02 0.00 0.00 177.57 177.50 3a4h h LEU 171 N 1.25 1.03 0.00 2.57 3.38 -1.57 -3.32 115.31 118.65 3a4h h LEU 171 Ca 0.33 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3a4h h LEU 171 Cb -0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.36 3a4h h LEU 171 CO -0.07 1.21 0.00 0.52 0.09 0.00 0.00 178.44 180.20 3a4h n VAL 172 N -4.10 0.00 -3.81 1.22 0.31 -1.05 -4.82 118.33 106.08 3a4h n VAL 172 Ca -0.00 0.62 -0.30 0.00 -0.01 0.00 0.00 64.34 64.65 3a4h n VAL 172 Cb 0.48 -1.42 -0.15 0.00 -0.91 0.00 0.00 33.84 31.84 3a4h n VAL 172 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3a4h s ASP 173 N -2.34 4.10 0.00 4.52 -1.08 -0.68 -5.08 116.67 116.12 3a4h s ASP 173 Ca 0.00 -1.65 0.00 0.00 -0.52 0.00 0.00 52.55 50.38 3a4h s ASP 173 Cb 0.00 -1.04 0.00 0.00 -1.46 0.00 0.00 42.92 40.42 3a4h s ASP 173 CO 0.00 -0.38 0.00 0.47 0.52 0.00 0.00 175.17 175.78 3a4h n ASP 174 N 4.72 0.00 -4.55 -0.34 8.00 -1.25 -4.63 116.55 118.49 3a4h n ASP 174 Ca -0.02 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 3a4h n ASP 174 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 3a4h n ASP 174 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a4h s SER 175 N 2.00 6.21 0.00 -2.24 0.01 -1.26 -4.89 113.70 113.53 3a4h s SER 175 Ca 0.00 -0.61 0.26 0.00 1.31 0.00 0.00 55.95 56.91 3a4h s SER 175 Cb 0.00 -2.56 1.54 0.00 0.21 0.00 0.00 66.02 65.21 3a4h s SER 175 CO 0.00 -1.79 1.90 -2.65 0.41 0.00 0.00 173.24 171.11 3a4h n PRO 176 N 9.30 0.80 0.00 12.44 -0.02 -1.26 -2.43 135.00 153.83 3a4h n PRO 176 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3a4h n PRO 176 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3a4h n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a4h n ALA 177 N -1.01 0.00 0.05 3.55 0.00 -1.26 -4.37 120.51 117.47 3a4h n ALA 177 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 3a4h n ALA 177 Cb 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.42 3a4h n ALA 177 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a4h h ASP 178 N 0.00 0.05 0.51 0.00 3.32 -2.02 -3.35 116.42 114.93 3a4h h ASP 178 Ca 0.00 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3a4h h ASP 178 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3a4h h ASP 178 CO 0.00 1.04 -0.22 0.44 -1.72 0.00 0.00 179.24 178.78 3a4h h ASP 179 N 0.01 0.00 0.30 6.45 5.19 -1.86 -2.44 116.42 124.08 3a4h h ASP 179 Ca -0.08 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.16 3a4h h ASP 179 Cb 1.84 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.34 3a4h h ASP 179 CO 0.13 0.22 -0.70 0.50 -3.12 0.00 0.00 179.24 176.27 3a4h h LYS 180 N 0.00 0.35 0.00 3.56 3.64 -1.61 -3.20 116.57 119.31 3a4h h LYS 180 Ca -0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3a4h h LYS 180 Cb 0.53 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3a4h h LYS 180 CO 0.03 0.91 0.00 -0.97 -2.27 0.00 0.00 179.45 177.15 3a4h h ASN 181 N 0.24 0.00 -0.52 4.20 -0.73 -1.61 -3.12 115.58 114.04 3a4h h ASN 181 Ca -0.02 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.09 3a4h h ASN 181 Cb 1.26 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.83 3a4h h ASN 181 CO 0.12 0.00 0.09 0.00 -0.37 0.00 0.00 177.43 177.26 3a4h h ALA 182 N 2.10 0.69 0.00 1.57 0.00 -1.47 -2.88 119.26 119.26 3a4h h ALA 182 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3a4h h ALA 182 Cb 0.90 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3a4h h ALA 182 CO 0.00 0.42 -0.22 0.00 0.00 0.00 0.00 179.25 179.45 3a4h h ALA 183 N 0.98 0.97 0.24 0.00 0.00 -1.63 -2.95 119.26 116.86 3a4h h ALA 183 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3a4h h ALA 183 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a4h h ALA 183 CO 0.01 0.28 -0.11 1.98 0.00 0.00 0.00 179.25 181.40 3a4h h MET 184 N 0.00 -0.31 -0.05 0.00 -1.53 -1.45 -1.18 114.93 110.41 3a4h h MET 184 Ca -0.00 0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.22 3a4h h MET 184 Cb 0.83 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.94 3a4h h MET 184 CO 0.03 -0.09 -0.22 0.78 0.14 0.00 0.00 176.91 177.54 3a4h h GLY 185 N -0.48 0.09 0.92 1.39 0.00 -1.53 -0.21 103.07 103.25 3a4h h GLY 185 Ca -0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 3a4h h GLY 185 CO 0.05 0.05 -0.34 0.50 0.00 0.00 0.00 176.54 176.81 3a4h h LYS 186 N 0.07 0.62 -0.18 4.80 1.79 -1.44 -1.56 116.57 120.67 3a4h h LYS 186 Ca 0.01 -0.37 -0.15 0.00 -2.18 0.00 0.00 60.65 57.97 3a4h h LYS 186 Cb 0.44 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 3a4h h LYS 186 CO 0.03 0.98 -0.50 -0.07 -1.08 0.00 0.00 179.45 178.81 3a4h h LEU 187 N 0.31 0.54 0.29 2.94 3.38 -1.02 -2.06 115.31 119.69 3a4h h LEU 187 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3a4h h LEU 187 Cb 0.92 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3a4h h LEU 187 CO 0.08 0.95 -0.14 -0.74 0.09 0.00 0.00 178.44 178.67 3a4h h HIS 188 N 0.39 -0.37 -0.39 1.13 2.76 -1.05 -2.79 115.15 114.82 3a4h h HIS 188 Ca 0.02 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.22 3a4h h HIS 188 Cb 1.02 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 30.06 3a4h h HIS 188 CO 0.04 -0.12 0.14 0.78 -1.30 0.00 0.00 177.93 177.47 3a4h h GLY 189 N -0.56 0.50 0.74 5.26 0.00 -1.29 -2.55 103.07 105.17 3a4h h GLY 189 Ca -0.04 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.26 3a4h h GLY 189 CO 0.07 0.04 0.46 -1.82 0.00 0.00 0.00 176.54 175.29 3a4h h TYR 190 N 0.30 0.86 -0.27 5.60 3.20 -1.42 -2.50 116.97 122.75 3a4h h TYR 190 Ca 0.18 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 3a4h h TYR 190 Cb 0.15 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3a4h h TYR 190 CO -0.14 0.44 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.42 3a4h h LEU 191 N 0.86 0.59 0.47 2.82 3.38 -1.20 -0.12 115.31 122.10 3a4h h LEU 191 Ca 0.33 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3a4h h LEU 191 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3a4h h LEU 191 CO -0.16 0.87 -0.31 0.28 0.09 0.00 0.00 178.44 179.22 3a4h h SER 192 N 0.48 -0.77 -0.29 -0.43 0.02 -1.20 0.13 113.55 111.49 3a4h h SER 192 Ca 0.06 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 3a4h h SER 192 Cb 0.80 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3a4h h SER 192 CO 0.07 -0.47 0.20 0.44 -1.14 0.00 0.00 176.83 175.92 3a4h h ASP 193 N -0.74 0.15 -0.21 3.07 3.45 -1.34 -1.22 116.42 119.57 3a4h h ASP 193 Ca -0.05 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.32 3a4h h ASP 193 Cb 0.62 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.35 3a4h h ASP 193 CO 0.04 0.10 -0.23 0.25 -1.57 0.00 0.00 179.24 177.84 3a4h h LEU 194 N 0.17 0.56 -0.59 1.55 6.46 -0.64 -2.35 115.31 120.47 3a4h h LEU 194 Ca 0.13 -0.48 0.03 0.00 -0.12 0.00 0.00 57.88 57.43 3a4h h LEU 194 Cb 0.29 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.02 3a4h h LEU 194 CO -0.02 0.93 0.35 -0.07 -0.62 0.00 0.00 178.44 179.02 3a4h h LEU 195 N 0.20 0.57 -1.25 2.25 -0.00 0.34 0.14 115.31 117.56 3a4h h LEU 195 Ca 0.03 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 3a4h h LEU 195 Cb 0.78 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 3a4h h LEU 195 CO 0.06 0.39 0.00 -0.33 -0.00 0.00 0.00 178.44 178.56 3a4h h GLU 196 N 0.69 0.00 0.15 1.13 3.07 -1.28 -2.10 114.58 116.24 3a4h h GLU 196 Ca 0.24 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.78 3a4h h GLU 196 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3a4h h GLU 196 CO -0.11 0.00 -1.57 -0.09 -1.40 0.00 0.00 179.01 175.83 3a4h h ARG 197 N 0.00 0.31 0.00 2.33 2.43 -0.68 -3.36 114.38 115.41 3a4h h ARG 197 Ca 0.00 -0.53 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 3a4h h ARG 197 Cb 0.35 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3a4h h ARG 197 CO 0.00 1.20 -0.21 0.87 -1.51 0.00 0.00 179.97 180.32 3a4h h LYS 198 N 0.08 0.00 -0.50 0.20 1.79 -0.16 -1.77 116.57 116.22 3a4h h LYS 198 Ca -0.27 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.13 3a4h h LYS 198 Cb 2.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.68 3a4h h LYS 198 CO 0.18 0.21 0.02 0.00 -1.08 0.00 0.00 179.45 178.78 3a4h h ARG 199 N 0.00 0.82 0.02 3.15 3.08 -1.54 -2.95 114.38 116.96 3a4h h ARG 199 Ca -0.00 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3a4h h ARG 199 Cb 0.47 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3a4h h ARG 199 CO 0.03 0.81 -0.01 1.15 -1.07 0.00 0.00 179.97 180.88 3a4h h THR 200 N 0.77 1.04 -3.52 2.04 2.02 -1.64 -3.43 112.91 110.20 3a4h h THR 200 Ca 0.15 -1.71 -0.69 0.00 0.77 0.00 0.00 66.41 64.93 3a4h h THR 200 Cb 0.43 1.95 -0.36 0.00 -1.74 0.00 0.00 68.15 68.43 3a4h h THR 200 CO 0.02 0.34 -0.54 -1.83 0.37 0.00 0.00 175.52 173.88 3a4h s GLU 201 N -2.15 2.04 0.63 6.66 -1.05 -0.69 -5.11 118.70 119.03 3a4h s GLU 201 Ca -0.11 -2.02 -0.11 0.00 -0.15 0.00 0.00 54.97 52.57 3a4h s GLU 201 Cb -0.01 -3.54 -0.03 0.00 -0.44 0.00 0.00 34.13 30.10 3a4h s GLU 201 CO 0.42 -1.08 1.03 -2.14 0.95 0.00 0.00 175.26 174.45 3a4h s PRO 202 N 0.77 3.42 0.05 -4.83 0.02 -1.12 -4.38 135.00 128.94 3a4h s PRO 202 Ca 0.11 0.65 -0.00 0.00 0.02 0.00 0.00 61.00 61.78 3a4h s PRO 202 Cb -0.22 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.22 3a4h s PRO 202 CO -0.04 -0.66 0.07 -0.40 -0.33 0.00 0.00 177.00 175.64 3a4h n ASP 203 N -2.79 -0.20 0.06 2.53 5.75 -1.26 -5.05 116.55 115.59 3a4h n ASP 203 Ca 0.06 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 3a4h n ASP 203 Cb 0.55 0.37 0.31 0.00 -1.03 0.00 0.00 41.12 41.31 3a4h n ASP 203 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 3a4h h ASP 204 N 0.29 0.37 -3.84 -1.12 1.82 -2.00 -3.42 116.42 108.52 3a4h h ASP 204 Ca -0.04 -0.09 -0.53 0.00 -0.39 0.00 0.00 57.03 55.98 3a4h h ASP 204 Cb 0.18 -0.10 0.21 0.00 0.68 0.00 0.00 39.33 40.29 3a4h h ASP 204 CO 0.05 0.53 -0.15 0.00 -1.61 0.00 0.00 179.24 178.06 3a4h n ALA 205 N -2.48 -1.60 -0.08 -0.78 0.00 -1.26 -4.72 120.51 109.58 3a4h n ALA 205 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 3a4h n ALA 205 Cb 0.30 -2.01 0.26 0.00 0.00 0.00 0.00 19.45 18.00 3a4h n ALA 205 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a4h h LEU 206 N -1.64 0.65 -0.67 0.00 5.85 -0.92 -2.20 115.31 116.39 3a4h h LEU 206 Ca -0.43 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3a4h h LEU 206 Cb 1.28 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3a4h h LEU 206 CO 0.38 0.64 0.41 -0.07 -0.34 0.00 0.00 178.44 179.46 3a4h h LEU 207 N 0.69 0.79 -0.59 2.25 3.38 -1.74 0.18 115.31 120.27 3a4h h LEU 207 Ca 0.16 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3a4h h LEU 207 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3a4h h LEU 207 CO -0.01 0.61 0.24 0.28 0.09 0.00 0.00 178.44 179.65 3a4h h SER 208 N 0.91 0.82 -0.61 -0.43 0.02 -1.74 -2.98 113.55 109.55 3a4h h SER 208 Ca 0.24 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3a4h h SER 208 Cb -0.05 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3a4h h SER 208 CO -0.05 0.77 0.40 -1.28 -1.14 0.00 0.00 176.83 175.53 3a4h h SER 209 N 0.82 0.70 -0.32 3.07 0.87 -0.76 -2.95 113.55 114.99 3a4h h SER 209 Ca 0.20 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3a4h h SER 209 Cb 0.21 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3a4h h SER 209 CO -0.02 0.51 0.05 -0.07 -0.53 0.00 0.00 176.83 176.78 3a4h h LEU 210 N 0.82 0.58 -1.56 2.23 3.38 -0.62 -2.54 115.31 117.59 3a4h h LEU 210 Ca 0.22 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3a4h h LEU 210 Cb -0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3a4h h LEU 210 CO -0.05 0.61 -0.15 -0.07 0.09 0.00 0.00 178.44 178.87 3a4h h LEU 211 N 0.60 0.08 -0.00 1.67 3.38 -1.36 -2.99 115.31 116.68 3a4h h LEU 211 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3a4h h LEU 211 Cb 0.30 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3a4h h LEU 211 CO 0.00 0.25 -0.34 0.00 0.09 0.00 0.00 178.44 178.44 3a4h n ALA 212 N -2.50 3.17 -2.56 1.53 0.00 -0.96 -4.90 120.51 114.29 3a4h n ALA 212 Ca -0.02 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 3a4h n ALA 212 Cb 0.24 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3a4h n ALA 212 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3a4h s VAL 213 N -2.99 4.19 0.00 0.00 1.01 -1.13 -5.00 120.40 116.47 3a4h s VAL 213 Ca 0.12 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3a4h s VAL 213 Cb 0.18 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3a4h s VAL 213 CO 0.65 -0.88 0.00 -1.20 0.00 0.00 0.00 175.10 173.67 3a4h n SER 214 N 7.86 0.50 -1.01 3.32 7.64 -1.26 -4.32 113.62 126.35 3a4h n SER 214 Ca 0.13 -0.30 -0.00 0.00 1.01 0.00 0.00 58.87 59.71 3a4h n SER 214 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3a4h n SER 214 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3a4h n ASP 215 N -0.74 -0.01 -1.04 6.43 5.75 -1.18 -4.86 116.55 120.90 3a4h n ASP 215 Ca 0.00 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 3a4h n ASP 215 Cb 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3a4h n ASP 215 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3a4h n GLU 216 N -0.00 0.75 0.00 0.11 -0.58 -1.26 -1.54 120.64 118.12 3a4h n GLU 216 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3a4h n GLU 216 Cb 0.00 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3a4h n GLU 216 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3a4h n ASP 217 N 0.70 0.00 0.00 1.62 8.00 -1.26 -5.02 116.55 120.58 3a4h n ASP 217 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3a4h n ASP 217 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 3a4h n ASP 217 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a4h n GLY 218 N 0.00 0.39 3.77 0.44 0.00 -0.59 -5.05 105.19 104.16 3a4h n GLY 218 Ca 0.00 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 3a4h n GLY 218 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a4h s ASP 219 N -2.98 6.72 0.19 1.61 2.15 -1.26 -4.81 116.67 118.29 3a4h s ASP 219 Ca 0.00 0.86 0.01 0.00 0.43 0.00 0.00 52.55 53.85 3a4h s ASP 219 Cb 0.00 -2.26 -0.05 0.00 -0.30 0.00 0.00 42.92 40.31 3a4h s ASP 219 CO 0.00 0.15 0.04 0.00 -0.17 0.00 0.00 175.17 175.19 3a4h s ARG 220 N -0.12 1.17 -0.15 4.34 1.70 -1.26 -3.09 118.95 121.53 3a4h s ARG 220 Ca 0.24 -1.59 -0.29 0.00 -0.47 0.00 0.00 55.73 53.62 3a4h s ARG 220 Cb -0.16 -0.15 -0.00 0.00 -0.57 0.00 0.00 34.95 34.07 3a4h s ARG 220 CO 0.11 -0.21 1.01 -0.51 -1.08 0.00 0.00 175.30 174.61 3a4h s LEU 221 N -3.19 4.19 0.74 -1.89 1.43 -1.26 -5.04 118.68 113.65 3a4h s LEU 221 Ca 0.29 1.45 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 3a4h s LEU 221 Cb 0.07 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.80 3a4h s LEU 221 CO 0.07 -0.52 1.09 -0.94 0.23 0.00 0.00 176.35 176.28 3a4h s SER 222 N 1.14 4.72 0.17 2.29 1.04 -1.26 -4.71 113.70 117.10 3a4h s SER 222 Ca 0.46 1.86 -0.25 0.00 0.48 0.00 0.00 55.95 58.50 3a4h s SER 222 Cb -0.17 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.48 3a4h s SER 222 CO 0.13 -1.89 1.56 1.56 0.98 0.00 0.00 173.24 175.59 3a4h h GLN 223 N -0.78 -0.18 -0.77 4.02 1.08 -1.99 0.17 115.11 116.66 3a4h h GLN 223 Ca -0.44 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 56.87 3a4h h GLN 223 Cb 1.23 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 28.63 3a4h h GLN 223 CO 0.52 -0.12 0.41 1.49 -0.95 0.00 0.00 178.83 180.18 3a4h h GLU 224 N -0.19 0.65 -0.38 1.46 4.81 -2.00 -2.05 114.58 116.88 3a4h h GLU 224 Ca 0.20 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 3a4h h GLU 224 Cb 0.56 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3a4h h GLU 224 CO -0.74 0.43 -0.33 0.93 -0.73 0.00 0.00 179.01 178.57 3a4h h GLU 225 N 0.67 0.85 -0.01 1.92 5.08 -1.53 -2.48 114.58 119.08 3a4h h GLU 225 Ca 0.39 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3a4h h GLU 225 Cb 0.42 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3a4h h GLU 225 CO -0.28 1.05 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.68 3a4h h LEU 226 N 0.71 -0.11 -0.69 1.33 3.38 -0.03 -1.50 115.31 118.39 3a4h h LEU 226 Ca 0.07 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3a4h h LEU 226 Cb 0.90 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3a4h h LEU 226 CO 0.08 -0.06 -0.64 -0.37 0.09 0.00 0.00 178.44 177.54 3a4h h VAL 227 N -0.06 1.45 -0.53 1.22 -1.51 -1.47 -1.48 116.25 113.87 3a4h h VAL 227 Ca 0.02 -2.18 -0.03 0.00 -1.23 0.00 0.00 66.70 63.28 3a4h h VAL 227 Cb 0.09 2.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 3a4h h VAL 227 CO -0.05 0.63 0.21 0.00 -1.23 0.00 0.00 177.57 177.13 3a4h h ALA 228 N 1.32 0.69 -0.46 5.19 0.00 -1.35 -0.91 119.26 123.73 3a4h h ALA 228 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3a4h h ALA 228 Cb 1.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3a4h h ALA 228 CO 0.09 0.30 0.17 1.98 0.00 0.00 0.00 179.25 181.78 3a4h h MET 229 N 0.71 0.70 -0.34 0.00 -1.53 -1.02 0.11 114.93 113.56 3a4h h MET 229 Ca 0.18 -0.13 0.03 0.00 -3.44 0.00 0.00 59.70 56.33 3a4h h MET 229 Cb 0.20 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.11 3a4h h MET 229 CO -0.01 0.64 0.16 0.00 0.14 0.00 0.00 176.91 177.84 3a4h h ALA 230 N 1.02 0.41 -0.79 0.39 0.00 -1.18 -1.14 119.26 117.96 3a4h h ALA 230 Ca 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3a4h h ALA 230 Cb 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3a4h h ALA 230 CO -0.01 -0.22 0.37 0.52 0.00 0.00 0.00 179.25 179.91 3a4h h MET 231 N 0.33 1.14 0.02 0.00 2.86 -0.91 -2.95 114.93 115.41 3a4h h MET 231 Ca 0.14 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3a4h h MET 231 Cb 0.07 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3a4h h MET 231 CO -0.11 0.88 -0.01 1.25 1.06 0.00 0.00 176.91 179.98 3a4h h LEU 232 N 1.13 -0.02 -1.90 1.22 5.85 -0.40 -2.19 115.31 119.00 3a4h h LEU 232 Ca 0.27 -0.25 0.17 0.00 0.84 0.00 0.00 57.88 58.91 3a4h h LEU 232 Cb 0.12 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3a4h h LEU 232 CO -0.03 0.24 0.46 -0.07 -0.34 0.00 0.00 178.44 178.70 3a4h h LEU 233 N -0.28 0.09 -0.01 2.25 3.38 -1.18 -0.88 115.31 118.68 3a4h h LEU 233 Ca -0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3a4h h LEU 233 Cb 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3a4h h LEU 233 CO 0.00 0.05 -0.22 0.25 0.09 0.00 0.00 178.44 178.60 3a4h h LEU 234 N 0.10 0.21 -0.06 1.67 5.85 -1.33 -2.36 115.31 119.38 3a4h h LEU 234 Ca 0.32 -0.75 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3a4h h LEU 234 Cb 1.12 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3a4h h LEU 234 CO -0.03 0.94 -0.01 0.40 -0.34 0.00 0.00 178.44 179.40 3a4h h ILE 235 N -0.49 1.27 0.00 4.05 2.04 -0.75 -1.39 117.51 122.24 3a4h h ILE 235 Ca -0.03 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 3a4h h ILE 235 Cb 0.96 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3a4h h ILE 235 CO 0.04 0.23 -0.44 0.00 0.00 0.00 0.00 178.15 177.99 3a4h h ALA 236 N 0.69 1.18 0.00 1.87 0.00 -1.34 -3.31 119.26 118.35 3a4h h ALA 236 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3a4h h ALA 236 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3a4h h ALA 236 CO 0.00 0.55 -1.00 0.41 0.00 0.00 0.00 179.25 179.22 3a4h n GLY 237 N -0.13 -1.06 0.00 0.00 0.00 -0.89 -4.33 105.19 98.79 3a4h n GLY 237 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3a4h n GLY 237 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3a4h n HIS 238 N -1.60 0.00 -0.31 1.61 -0.00 -0.53 -4.16 115.22 110.24 3a4h n HIS 238 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.88 3a4h n HIS 238 Cb 0.36 0.00 0.28 0.00 -0.00 0.00 0.00 29.99 30.63 3a4h n HIS 238 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 3a4h h GLU 239 N 0.00 0.11 -0.19 1.57 4.81 -1.80 -0.80 114.58 118.28 3a4h h GLU 239 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3a4h h GLU 239 Cb 0.00 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3a4h h GLU 239 CO 0.00 0.07 0.08 1.79 -0.73 0.00 0.00 179.01 180.23 3a4h h THR 240 N 0.12 1.15 -0.23 0.32 1.35 -1.82 -2.16 112.91 111.64 3a4h h THR 240 Ca 0.56 -0.46 -0.14 0.00 -0.55 0.00 0.00 66.41 65.82 3a4h h THR 240 Cb 1.13 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3a4h h THR 240 CO -0.75 0.15 -0.45 0.74 -0.25 0.00 0.00 175.52 174.96 3a4h h THR 241 N 0.17 1.31 -0.14 6.82 2.02 -1.47 -0.43 112.91 121.18 3a4h h THR 241 Ca 0.07 -1.64 0.05 0.00 0.77 0.00 0.00 66.41 65.65 3a4h h THR 241 Cb 0.16 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 3a4h h THR 241 CO -0.01 0.52 -0.39 0.58 0.37 0.00 0.00 175.52 176.59 3a4h h VAL 242 N 0.46 0.19 -0.00 3.16 2.07 -1.07 -1.94 116.25 119.12 3a4h h VAL 242 Ca 0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 3a4h h VAL 242 Cb 0.96 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3a4h h VAL 242 CO 0.09 0.00 -0.38 0.78 0.02 0.00 0.00 177.57 178.08 3a4h h ASN 243 N -0.46 0.00 -0.21 0.57 2.35 -1.04 0.12 115.58 116.91 3a4h h ASN 243 Ca 0.08 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3a4h h ASN 243 Cb 0.60 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.92 3a4h h ASN 243 CO -0.39 0.38 -0.10 0.25 -1.65 0.00 0.00 177.43 175.92 3a4h h LEU 244 N 0.00 -0.34 0.32 1.61 5.85 -0.78 0.39 115.31 122.37 3a4h h LEU 244 Ca -0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3a4h h LEU 244 Cb 0.67 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 3a4h h LEU 244 CO 0.05 -0.13 -0.19 0.40 -0.34 0.00 0.00 178.44 178.22 3a4h h ILE 245 N -0.08 0.60 -0.18 4.05 2.04 -0.50 -0.42 117.51 123.03 3a4h h ILE 245 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 3a4h h ILE 245 Cb 0.25 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3a4h h ILE 245 CO -0.26 0.00 -0.26 1.23 0.00 0.00 0.00 178.15 178.86 3a4h h GLY 246 N -0.49 -0.26 1.06 5.37 0.00 -0.60 -1.45 103.07 106.70 3a4h h GLY 246 Ca -0.03 0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.51 3a4h h GLY 246 CO 0.04 -0.20 -0.11 3.43 0.00 0.00 0.00 176.54 179.69 3a4h h ASN 247 N -0.30 0.95 -0.42 0.19 2.35 -0.17 -2.30 115.58 115.88 3a4h h ASN 247 Ca 0.11 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 3a4h h ASN 247 Cb 0.48 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3a4h h ASN 247 CO -0.35 1.09 -0.01 1.23 -1.65 0.00 0.00 177.43 177.73 3a4h h GLY 248 N 0.80 0.81 0.98 2.83 0.00 -0.90 0.28 103.07 107.88 3a4h h GLY 248 Ca 0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3a4h h GLY 248 CO 0.05 0.56 -0.09 -2.08 0.00 0.00 0.00 176.54 174.98 3a4h h VAL 249 N 0.59 0.83 -0.91 4.60 2.07 -1.27 -2.28 116.25 119.88 3a4h h VAL 249 Ca 0.12 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.70 3a4h h VAL 249 Cb 0.51 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3a4h h VAL 249 CO 0.02 0.01 0.58 0.25 0.02 0.00 0.00 177.57 178.46 3a4h h LEU 250 N -0.27 0.78 -0.64 2.57 5.85 -1.29 -1.22 115.31 121.09 3a4h h LEU 250 Ca -0.02 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3a4h h LEU 250 Cb 0.20 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3a4h h LEU 250 CO 0.04 0.43 0.24 0.00 -0.34 0.00 0.00 178.44 178.81 3a4h h ALA 251 N 1.57 0.84 -0.22 1.25 0.00 -0.55 -1.91 119.26 120.23 3a4h h ALA 251 Ca 0.43 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 3a4h h ALA 251 Cb 0.51 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3a4h h ALA 251 CO -0.20 0.47 -0.60 -0.07 0.00 0.00 0.00 179.25 178.85 3a4h h LEU 252 N 0.91 0.82 -1.36 0.00 3.38 -0.88 -2.32 115.31 115.87 3a4h h LEU 252 Ca 0.21 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3a4h h LEU 252 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3a4h h LEU 252 CO -0.01 1.23 -0.04 -0.07 0.09 0.00 0.00 178.44 179.64 3a4h h LEU 253 N 0.54 0.35 0.00 1.67 3.38 -1.03 -2.64 115.31 117.58 3a4h h LEU 253 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3a4h h LEU 253 Cb 1.19 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3a4h h LEU 253 CO 0.12 0.44 -0.58 0.35 0.09 0.00 0.00 178.44 178.87 3a4h n THR 254 N -4.30 0.17 -3.59 0.22 -2.24 -0.74 -4.49 114.28 99.31 3a4h n THR 254 Ca 0.00 -0.14 -0.27 0.00 -2.27 0.00 0.00 64.05 61.38 3a4h n THR 254 Cb 0.24 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 3a4h n THR 254 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3a4h n HIS 255 N -1.80 2.43 -0.33 4.78 8.25 -0.88 -4.97 115.22 122.71 3a4h n HIS 255 Ca 0.04 -4.04 0.05 0.00 -0.26 0.00 0.00 57.72 53.51 3a4h n HIS 255 Cb 0.39 -0.45 0.20 0.00 1.12 0.00 0.00 29.99 31.25 3a4h n HIS 255 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3a4h h PRO 256 N 4.85 0.85 -1.14 -0.41 0.11 -1.79 0.40 132.00 134.87 3a4h h PRO 256 Ca 0.17 -0.05 0.34 0.00 0.11 0.00 0.00 66.00 66.57 3a4h h PRO 256 Cb 0.76 -0.19 -0.11 0.00 0.11 0.00 0.00 31.00 31.56 3a4h h PRO 256 CO 0.68 0.56 0.73 0.38 -0.21 0.00 0.00 178.00 180.14 3a4h h ASP 257 N 0.88 0.38 0.37 -2.05 -0.00 -1.93 0.77 116.42 114.83 3a4h h ASP 257 Ca 0.45 0.12 -0.32 0.00 -0.00 0.00 0.00 57.03 57.28 3a4h h ASP 257 Cb 0.44 0.07 -0.04 0.00 -0.00 0.00 0.00 39.33 39.80 3a4h h ASP 257 CO -0.26 -0.04 -1.79 1.56 -0.00 0.00 0.00 179.24 178.70 3a4h h GLN 258 N 0.27 0.11 -0.53 4.15 1.08 -1.31 -3.14 115.11 115.73 3a4h h GLN 258 Ca 0.70 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.68 3a4h h GLN 258 Cb 1.93 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 29.41 3a4h h GLN 258 CO -0.38 0.78 0.17 -0.09 -0.95 0.00 0.00 178.83 178.36 3a4h h ARG 259 N 0.03 0.79 0.00 1.46 2.43 -0.29 -2.12 114.38 116.67 3a4h h ARG 259 Ca -0.33 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.65 3a4h h ARG 259 Cb 2.02 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 3a4h h ARG 259 CO 0.09 0.68 -0.28 0.87 -1.51 0.00 0.00 179.97 179.82 3a4h h LYS 260 N 0.77 0.00 -0.37 0.20 1.79 -1.00 -1.51 116.57 116.46 3a4h h LYS 260 Ca 0.18 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.56 3a4h h LYS 260 Cb 0.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 3a4h h LYS 260 CO -0.01 0.28 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.47 3a4h h LEU 261 N 0.00 0.73 -0.49 2.94 3.38 -1.39 -2.88 115.31 117.60 3a4h h LEU 261 Ca -0.00 -0.37 -0.16 0.00 0.09 0.00 0.00 57.88 57.43 3a4h h LEU 261 Cb 1.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3a4h h LEU 261 CO 0.04 0.93 -0.56 0.25 0.09 0.00 0.00 178.44 179.18 3a4h h LEU 262 N 0.52 0.64 -0.82 1.67 5.85 -1.36 -2.26 115.31 119.54 3a4h h LEU 262 Ca 0.09 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.52 3a4h h LEU 262 Cb 0.62 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3a4h h LEU 262 CO 0.04 1.07 0.51 0.00 -0.34 0.00 0.00 178.44 179.72 3a4h h ALA 263 N 0.94 1.11 0.10 1.25 0.00 -1.28 -2.16 119.26 119.22 3a4h h ALA 263 Ca 0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 3a4h h ALA 263 Cb 1.11 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.68 3a4h h ALA 263 CO 0.11 0.29 -1.19 0.93 0.00 0.00 0.00 179.25 179.39 3a4h h GLU 264 N 0.97 0.47 -2.78 0.00 5.08 -1.49 -3.39 114.58 113.43 3a4h h GLU 264 Ca 0.35 -0.64 -0.61 0.00 -1.00 0.00 0.00 59.36 57.46 3a4h h GLU 264 Cb 0.10 0.22 -0.41 0.00 0.50 0.00 0.00 28.75 29.16 3a4h h GLU 264 CO -0.15 1.27 -0.67 -3.47 -1.00 0.00 0.00 179.01 175.00 3a4h n ASP 265 N -3.70 2.41 0.00 1.42 -0.08 -0.85 -4.96 116.55 110.79 3a4h n ASP 265 Ca -0.11 -3.08 0.03 0.00 -1.51 0.00 0.00 54.79 50.12 3a4h n ASP 265 Cb 0.97 -0.70 0.17 0.00 2.34 0.00 0.00 41.12 43.89 3a4h n ASP 265 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3a4h n PRO 266 N 1.92 0.19 0.07 -0.67 -0.02 -0.83 -1.12 135.00 134.54 3a4h n PRO 266 Ca 0.23 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3a4h n PRO 266 Cb 0.39 -1.47 0.36 0.00 -0.02 0.00 0.00 33.50 32.75 3a4h n PRO 266 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3a4h n SER 267 N -0.97 0.66 0.00 2.55 3.41 -1.26 -3.51 113.62 114.50 3a4h n SER 267 Ca 0.04 0.39 0.10 0.00 -0.26 0.00 0.00 58.87 59.14 3a4h n SER 267 Cb 0.02 -0.42 0.53 0.00 -0.26 0.00 0.00 64.21 64.08 3a4h n SER 267 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a4h n LEU 268 N -2.08 0.00 -0.23 1.04 4.77 -0.27 -3.81 117.00 116.42 3a4h n LEU 268 Ca 0.05 0.26 0.02 0.00 -0.03 0.00 0.00 56.01 56.31 3a4h n LEU 268 Cb 0.42 -0.26 0.26 0.00 -2.33 0.00 0.00 43.42 41.51 3a4h n LEU 268 CO 0.32 -0.08 1.24 -0.29 -1.33 0.00 0.00 177.39 177.25 3a4h h ILE 269 N 0.00 1.14 -0.61 -0.08 6.09 -1.78 0.48 117.51 122.75 3a4h h ILE 269 Ca 0.00 -0.34 -0.08 0.00 -1.37 0.00 0.00 64.86 63.07 3a4h h ILE 269 Cb 0.17 0.06 -0.02 0.00 0.47 0.00 0.00 36.82 37.50 3a4h h ILE 269 CO 0.00 0.18 0.05 -1.28 -3.07 0.00 0.00 178.15 174.04 3a4h h SER 270 N 0.99 0.99 0.12 2.19 0.87 -1.87 0.35 113.55 117.19 3a4h h SER 270 Ca 0.31 -0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 60.48 3a4h h SER 270 Cb 0.00 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 3a4h h SER 270 CO -0.09 1.01 -0.52 -1.28 -0.53 0.00 0.00 176.83 175.42 3a4h h SER 271 N 0.95 0.49 0.04 6.23 0.87 -1.54 -3.17 113.55 117.41 3a4h h SER 271 Ca 0.18 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3a4h h SER 271 Cb 0.47 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3a4h h SER 271 CO 0.02 0.92 -0.02 0.00 -0.53 0.00 0.00 176.83 177.22 3a4h h ALA 272 N 1.09 -0.05 -0.61 6.23 0.00 0.63 -2.95 119.26 123.60 3a4h h ALA 272 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3a4h h ALA 272 Cb 1.03 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3a4h h ALA 272 CO 0.09 -0.40 0.40 0.28 0.00 0.00 0.00 179.25 179.63 3a4h h VAL 273 N -0.31 1.03 -0.83 0.00 2.07 -1.04 0.14 116.25 117.32 3a4h h VAL 273 Ca -0.01 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3a4h h VAL 273 Cb 0.28 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3a4h h VAL 273 CO 0.01 0.12 0.55 -0.33 0.02 0.00 0.00 177.57 177.94 3a4h h GLU 274 N 0.64 1.08 0.00 1.57 4.39 -1.51 -2.44 114.58 118.32 3a4h h GLU 274 Ca 0.26 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3a4h h GLU 274 Cb 0.20 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3a4h h GLU 274 CO -0.07 0.72 -0.77 -1.91 -1.16 0.00 0.00 179.01 175.82 3a4h n GLU 275 N -4.41 0.23 -0.01 2.33 0.00 -0.12 -2.99 120.64 115.67 3a4h n GLU 275 Ca 0.09 0.03 -0.18 0.00 0.00 0.00 0.00 57.16 57.11 3a4h n GLU 275 Cb 0.03 -1.61 -0.08 0.00 0.00 0.00 0.00 31.44 29.78 3a4h n GLU 275 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 3a4h h PHE 276 N 0.00 1.04 -0.02 4.31 0.05 -0.93 0.18 116.94 121.57 3a4h h PHE 276 Ca 0.00 -0.49 -0.04 0.00 3.82 0.00 0.00 57.97 61.26 3a4h h PHE 276 Cb 0.69 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.48 3a4h h PHE 276 CO 0.00 1.32 -0.17 -0.07 -0.18 0.00 0.00 178.31 179.20 3a4h h LEU 277 N 0.46 0.03 0.00 1.54 3.38 -1.48 -1.09 115.31 118.15 3a4h h LEU 277 Ca -0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3a4h h LEU 277 Cb 1.46 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 3a4h h LEU 277 CO 0.17 0.20 -0.04 -0.09 0.09 0.00 0.00 178.44 178.77 3a4h h ARG 278 N 0.03 0.00 -0.65 1.13 2.43 -1.47 -3.11 114.38 112.74 3a4h h ARG 278 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3a4h h ARG 278 Cb 0.33 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 3a4h h ARG 278 CO 0.02 0.51 0.31 0.35 -1.51 0.00 0.00 179.97 179.65 3a4h h PHE 279 N -1.00 0.91 -1.75 2.20 3.57 -0.60 -3.34 116.94 116.93 3a4h h PHE 279 Ca -0.01 -0.03 -0.49 0.00 3.53 0.00 0.00 57.97 60.97 3a4h h PHE 279 Cb 0.53 -0.29 -0.34 0.00 2.79 0.00 0.00 35.95 38.65 3a4h h PHE 279 CO 0.14 0.67 -0.94 -3.47 -2.23 0.00 0.00 178.31 172.47 3a4h n ASP 280 N -4.34 -0.72 -4.58 0.41 4.64 -0.42 -5.00 116.55 106.53 3a4h n ASP 280 Ca 0.06 -2.70 -0.49 0.00 -1.38 0.00 0.00 54.79 50.28 3a4h n ASP 280 Cb 0.13 -0.09 -0.06 0.00 -1.04 0.00 0.00 41.12 40.07 3a4h n ASP 280 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3a4h n SER 281 N 1.96 2.83 -0.17 1.67 7.64 -1.17 -4.69 113.62 121.68 3a4h n SER 281 Ca 0.22 0.62 -0.05 0.00 1.01 0.00 0.00 58.87 60.67 3a4h n SER 281 Cb 0.53 -1.34 0.05 0.00 -1.01 0.00 0.00 64.21 62.44 3a4h n SER 281 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a4h h PRO 282 N 11.35 0.55 -4.85 1.43 0.13 -1.81 -3.23 132.00 135.58 3a4h h PRO 282 Ca -0.39 -0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 64.01 3a4h h PRO 282 Cb 1.29 -0.12 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 3a4h h PRO 282 CO 0.98 0.36 0.48 0.08 -0.23 0.00 0.00 178.00 179.67 3a4h s VAL 283 N -6.13 4.80 0.14 1.56 1.01 -1.26 0.34 120.40 120.85 3a4h s VAL 283 Ca -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 60.50 3a4h s VAL 283 Cb 0.13 -4.64 -0.17 0.00 0.00 0.00 0.00 36.38 31.71 3a4h s VAL 283 CO 0.74 -1.33 1.33 0.77 0.00 0.00 0.00 175.10 176.61 3a4h h SER 284 N 8.93 0.54 -3.76 3.32 4.64 -0.70 -3.40 113.55 123.11 3a4h h SER 284 Ca -0.06 -0.41 -0.66 0.00 -0.47 0.00 0.00 61.79 60.19 3a4h h SER 284 Cb 1.05 -0.16 -0.32 0.00 -0.31 0.00 0.00 62.40 62.66 3a4h h SER 284 CO 1.07 1.20 -0.87 -1.10 -0.87 0.00 0.00 176.83 176.26 3a4h s GLN 285 N -3.36 2.52 0.36 4.77 -1.52 -0.70 -0.75 119.66 120.99 3a4h s GLN 285 Ca -0.06 -0.82 -0.26 0.00 -1.95 0.00 0.00 55.36 52.27 3a4h s GLN 285 Cb 0.09 -2.06 -0.09 0.00 -0.22 0.00 0.00 33.01 30.74 3a4h s GLN 285 CO 0.86 0.28 1.11 0.00 -0.25 0.00 0.00 175.29 177.30 3a4h s ALA 286 N 0.07 3.21 0.33 6.09 0.00 -0.79 -4.64 121.76 126.04 3a4h s ALA 286 Ca -0.09 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.48 3a4h s ALA 286 Cb -0.15 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 3a4h s ALA 286 CO 0.05 -0.33 0.77 -2.30 0.00 0.00 0.00 175.76 173.95 3a4h n PRO 287 N 0.35 0.86 -1.67 0.00 -0.02 -1.26 -4.24 135.00 129.02 3a4h n PRO 287 Ca 0.03 0.30 -0.45 0.00 -2.02 0.00 0.00 63.50 61.36 3a4h n PRO 287 Cb 0.47 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 3a4h n PRO 287 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3a4h n ILE 288 N -0.27 0.47 -3.95 4.25 5.41 -1.26 -4.85 119.36 119.15 3a4h n ILE 288 Ca 0.12 -0.12 -0.23 0.00 1.00 0.00 0.00 62.75 63.52 3a4h n ILE 288 Cb 0.34 -1.51 -0.06 0.00 -0.71 0.00 0.00 39.64 37.70 3a4h n ILE 288 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3a4h s ARG 289 N 0.26 2.39 -0.01 0.38 0.52 -0.05 -4.87 118.95 117.56 3a4h s ARG 289 Ca 0.73 -1.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3a4h s ARG 289 Cb -0.66 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3a4h s ARG 289 CO 0.44 -0.04 -0.04 -0.06 0.02 0.00 0.00 175.30 175.61 3a4h s PHE 290 N -2.49 0.49 -0.26 -0.53 0.08 0.02 0.12 117.98 115.41 3a4h s PHE 290 Ca 0.42 -0.09 -0.27 0.00 0.12 0.00 0.00 56.93 57.10 3a4h s PHE 290 Cb -0.01 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.08 3a4h s PHE 290 CO 0.24 -0.05 0.98 0.95 -0.10 0.00 0.00 175.22 177.23 3a4h s THR 291 N 0.20 4.69 -0.33 0.64 -4.23 -0.72 -0.57 115.64 115.31 3a4h s THR 291 Ca -0.02 1.78 0.20 0.00 -1.18 0.00 0.00 61.69 62.47 3a4h s THR 291 Cb -0.06 -4.27 0.24 0.00 1.34 0.00 0.00 72.50 69.75 3a4h s THR 291 CO -0.00 -0.23 1.55 0.00 -0.54 0.00 0.00 174.62 175.40 3a4h h ALA 292 N 7.71 0.88 -1.54 3.99 0.00 -0.80 0.14 119.26 129.64 3a4h h ALA 292 Ca -0.21 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.63 3a4h h ALA 292 Cb 1.07 -0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.60 3a4h h ALA 292 CO 0.96 0.23 0.57 -1.83 0.00 0.00 0.00 179.25 179.17 3a4h s GLU 293 N -3.13 0.57 -0.65 0.00 -1.05 -1.26 -4.79 118.70 108.39 3a4h s GLU 293 Ca 0.06 0.13 -0.19 0.00 -0.15 0.00 0.00 54.97 54.82 3a4h s GLU 293 Cb 0.06 0.27 -0.15 0.00 -0.44 0.00 0.00 34.13 33.87 3a4h s GLU 293 CO 0.70 -0.18 1.73 -0.25 0.95 0.00 0.00 175.26 178.20 3a4h n ASP 294 N 0.70 0.10 -4.92 0.83 9.92 -1.26 -4.64 116.55 117.28 3a4h n ASP 294 Ca -0.10 0.08 -0.26 0.00 -0.53 0.00 0.00 54.79 53.99 3a4h n ASP 294 Cb 0.58 -0.58 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 3a4h n ASP 294 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3a4h s VAL 295 N 5.40 5.03 -0.09 2.53 -7.23 -0.91 -4.94 120.40 120.18 3a4h s VAL 295 Ca 0.88 -0.14 -0.02 0.00 -1.81 0.00 0.00 61.98 60.88 3a4h s VAL 295 Cb -0.80 -3.83 0.04 0.00 0.56 0.00 0.00 36.38 32.35 3a4h s VAL 295 CO 0.32 -0.59 0.03 -0.89 -0.31 0.00 0.00 175.10 173.67 3a4h s THR 296 N -2.39 0.19 -0.04 5.32 2.01 -1.26 -0.85 115.64 118.62 3a4h s THR 296 Ca 0.43 0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.57 3a4h s THR 296 Cb -0.10 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.94 3a4h s THR 296 CO 0.37 0.12 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.97 3a4h s TYR 297 N 2.04 1.47 -1.10 4.92 1.51 0.02 -4.81 117.35 121.40 3a4h s TYR 297 Ca 0.04 -0.42 -0.12 0.00 -1.01 0.00 0.00 57.07 55.55 3a4h s TYR 297 Cb -0.13 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 3a4h s TYR 297 CO -0.05 -0.16 0.23 0.43 -1.11 0.00 0.00 175.55 174.89 3a4h n SER 298 N 3.27 -0.99 0.00 2.29 7.64 -1.26 -0.20 113.62 124.36 3a4h n SER 298 Ca -0.19 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.68 3a4h n SER 298 Cb 0.53 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3a4h n SER 298 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a4h n GLY 299 N -2.07 2.81 3.65 0.23 0.00 -1.26 -4.90 105.19 103.65 3a4h n GLY 299 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3a4h n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4h s VAL 300 N -0.92 4.94 -0.39 1.61 1.01 0.71 -5.03 120.40 122.34 3a4h s VAL 300 Ca 0.00 1.38 -0.18 0.00 0.00 0.00 0.00 61.98 63.17 3a4h s VAL 300 Cb 0.00 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.36 3a4h s VAL 300 CO 0.00 0.04 0.52 -0.89 0.00 0.00 0.00 175.10 174.78 3a4h s THR 301 N 2.23 4.99 -0.22 3.92 2.01 -1.26 -0.80 115.64 126.51 3a4h s THR 301 Ca 0.32 0.11 -0.26 0.00 0.31 0.00 0.00 61.69 62.17 3a4h s THR 301 Cb -0.16 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 3a4h s THR 301 CO 0.10 -0.36 0.90 -0.63 -0.69 0.00 0.00 174.62 173.94 3a4h s ILE 302 N 2.43 4.80 0.65 1.82 1.01 -0.03 -4.97 121.20 126.92 3a4h s ILE 302 Ca 0.18 1.74 -0.17 0.00 0.00 0.00 0.00 60.65 62.41 3a4h s ILE 302 Cb -0.15 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3a4h s ILE 302 CO 0.15 -0.08 1.18 -2.16 0.00 0.00 0.00 174.94 174.02 3a4h s PRO 303 N 2.76 2.70 0.54 2.79 0.04 -1.26 -2.15 135.00 140.42 3a4h s PRO 303 Ca 0.39 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 62.88 3a4h s PRO 303 Cb -0.16 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3a4h s PRO 303 CO 0.09 -1.38 1.37 0.00 0.04 0.00 0.00 177.00 177.12 3a4h s ALA 304 N -1.92 2.86 0.00 8.56 0.00 -1.26 -3.35 121.76 126.64 3a4h s ALA 304 Ca 0.73 1.37 0.00 0.00 0.00 0.00 0.00 51.96 54.06 3a4h s ALA 304 Cb -0.27 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3a4h s ALA 304 CO 0.38 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 175.17 3a4h n GLY 305 N 0.72 0.72 3.93 0.00 0.00 0.50 -4.97 105.19 106.09 3a4h n GLY 305 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3a4h n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a4h s GLU 306 N -0.44 3.47 -0.13 1.61 0.41 -1.21 -4.42 118.70 117.99 3a4h s GLU 306 Ca 0.00 -0.48 -0.20 0.00 -0.41 0.00 0.00 54.97 53.88 3a4h s GLU 306 Cb 0.00 -2.94 -0.04 0.00 -1.78 0.00 0.00 34.13 29.37 3a4h s GLU 306 CO 0.00 0.50 0.57 -1.64 -0.49 0.00 0.00 175.26 174.20 3a4h s MET 307 N -3.10 4.33 0.05 1.61 -1.94 -1.26 -1.76 119.30 117.23 3a4h s MET 307 Ca 0.36 0.60 0.06 0.00 -1.71 0.00 0.00 55.69 55.00 3a4h s MET 307 Cb -0.11 -3.48 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 3a4h s MET 307 CO 0.28 0.03 -0.13 0.08 -0.01 0.00 0.00 175.02 175.28 3a4h s VAL 308 N 1.01 3.20 -0.04 -6.03 1.01 0.12 -1.06 120.40 118.60 3a4h s VAL 308 Ca 0.29 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3a4h s VAL 308 Cb -0.16 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3a4h s VAL 308 CO 0.12 0.28 -0.08 -0.32 0.00 0.00 0.00 175.10 175.11 3a4h s MET 309 N -1.67 1.11 -0.37 2.72 0.00 0.11 -0.87 119.30 120.33 3a4h s MET 309 Ca 0.17 -0.25 -0.13 0.00 0.00 0.00 0.00 55.69 55.49 3a4h s MET 309 Cb -0.11 -1.01 0.00 0.00 0.00 0.00 0.00 34.83 33.72 3a4h s MET 309 CO 0.08 0.00 0.25 -0.51 0.00 0.00 0.00 175.02 174.84 3a4h s LEU 310 N 0.64 4.71 -1.15 4.11 1.43 -1.26 -1.61 118.68 125.55 3a4h s LEU 310 Ca -0.10 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.09 3a4h s LEU 310 Cb -0.13 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3a4h s LEU 310 CO 0.01 -0.33 1.79 -0.83 0.23 0.00 0.00 176.35 177.23 3a4h s GLY 311 N 1.67 0.82 0.08 -3.19 0.00 0.10 -1.88 107.32 104.93 3a4h s GLY 311 Ca 0.05 -2.31 -0.20 0.00 0.00 0.00 0.00 44.72 42.26 3a4h s GLY 311 CO 0.09 3.14 1.58 1.41 0.00 0.00 0.00 173.10 179.32 3a4h h LEU 312 N 15.29 0.31 -1.16 0.66 3.38 -1.22 0.38 115.31 132.95 3a4h h LEU 312 Ca 0.27 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3a4h h LEU 312 Cb 0.94 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 3a4h h LEU 312 CO 1.33 0.46 0.58 0.00 0.09 0.00 0.00 178.44 180.90 3a4h h ALA 313 N 0.87 1.46 -0.05 1.53 0.00 -1.60 -0.97 119.26 120.49 3a4h h ALA 313 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3a4h h ALA 313 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3a4h h ALA 313 CO 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 179.25 179.54 3a4h h ALA 314 N 1.49 0.09 0.00 0.00 0.00 -1.73 -3.23 119.26 115.88 3a4h h ALA 314 Ca 0.35 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3a4h h ALA 314 Cb 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3a4h h ALA 314 CO -0.11 0.01 -0.08 0.00 0.00 0.00 0.00 179.25 179.08 3a4h h ALA 315 N 0.44 1.25 0.00 0.00 0.00 0.11 -2.87 119.26 118.20 3a4h h ALA 315 Ca -0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3a4h h ALA 315 Cb 0.77 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3a4h h ALA 315 CO 0.03 0.10 -0.51 -0.91 0.00 0.00 0.00 179.25 177.96 3a4h h ASN 316 N 0.00 0.00 -0.86 0.00 2.35 -1.21 -3.16 115.58 112.70 3a4h h ASN 316 Ca -0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 3a4h h ASN 316 Cb 0.27 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.42 3a4h h ASN 316 CO 0.01 0.41 0.45 0.54 -1.65 0.00 0.00 177.43 177.20 3a4h n ARG 317 N -3.16 2.93 -2.73 0.81 1.74 -1.08 -4.86 116.66 110.30 3a4h n ARG 317 Ca 0.01 -3.06 -0.42 0.00 -0.77 0.00 0.00 57.85 53.61 3a4h n ARG 317 Cb 0.71 -2.19 -0.03 0.00 -1.02 0.00 0.00 32.46 29.93 3a4h n ARG 317 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3a4h s ASP 318 N -1.23 7.19 0.38 0.55 -1.08 -1.19 -4.74 116.67 116.56 3a4h s ASP 318 Ca 0.56 1.47 0.18 0.00 -0.52 0.00 0.00 52.55 54.23 3a4h s ASP 318 Cb 0.46 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 40.14 3a4h s ASP 318 CO 0.12 -0.43 1.79 0.00 0.52 0.00 0.00 175.17 177.17 3a4h h ALA 319 N 7.12 1.12 -0.74 3.66 0.00 -1.93 0.43 119.26 128.93 3a4h h ALA 319 Ca -0.31 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3a4h h ALA 319 Cb 1.15 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3a4h h ALA 319 CO 0.85 0.46 0.28 -0.44 0.00 0.00 0.00 179.25 180.40 3a4h h ASP 320 N 0.00 1.02 0.06 0.00 3.32 -1.98 -3.28 116.42 115.56 3a4h h ASP 320 Ca -0.00 -0.16 -0.22 0.00 0.02 0.00 0.00 57.03 56.67 3a4h h ASP 320 Cb 0.79 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3a4h h ASP 320 CO 0.05 0.91 -1.14 -0.25 -1.72 0.00 0.00 179.24 177.10 3a4h h TRP 321 N 1.07 0.25 -3.08 4.55 7.01 -1.87 -3.47 115.95 120.41 3a4h h TRP 321 Ca 0.25 -0.18 -0.66 0.00 2.11 0.00 0.00 58.89 60.40 3a4h h TRP 321 Cb 0.22 -0.01 -0.35 0.00 -2.10 0.00 0.00 29.16 26.92 3a4h h TRP 321 CO 0.02 1.44 -0.86 1.41 -2.79 0.00 0.00 178.44 177.67 3a4h s MET 322 N -2.40 2.90 0.37 2.65 1.75 0.12 -5.10 119.30 119.60 3a4h s MET 322 Ca -0.22 -0.80 -0.27 0.00 -1.25 0.00 0.00 55.69 53.15 3a4h s MET 322 Cb 0.04 -2.50 -0.10 0.00 2.84 0.00 0.00 34.83 35.11 3a4h s MET 322 CO 0.70 -0.20 1.33 -1.25 -0.65 0.00 0.00 175.02 174.96 3a4h s PRO 323 N 1.27 4.13 -1.11 4.11 0.04 -1.26 -3.47 135.00 138.72 3a4h s PRO 323 Ca 0.04 2.24 -0.22 0.00 0.04 0.00 0.00 61.00 63.11 3a4h s PRO 323 Cb -0.13 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.51 3a4h s PRO 323 CO -0.12 -0.39 0.74 0.39 0.04 0.00 0.00 177.00 177.66 3a4h n GLU 324 N 0.42 -0.97 0.00 4.56 1.02 -1.26 -4.85 120.64 119.56 3a4h n GLU 324 Ca 0.02 0.43 0.11 0.00 -0.02 0.00 0.00 57.16 57.70 3a4h n GLU 324 Cb 0.42 -3.56 0.60 0.00 -0.02 0.00 0.00 31.44 28.89 3a4h n GLU 324 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3a4h n PRO 325 N -4.15 0.40 0.00 3.49 -0.04 -1.23 -2.63 135.00 130.84 3a4h n PRO 325 Ca -0.12 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.49 3a4h n PRO 325 Cb 0.59 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.60 3a4h n PRO 325 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3a4h n ASP 326 N -1.24 2.16 -4.66 3.54 8.00 -1.26 -4.66 116.55 118.44 3a4h n ASP 326 Ca 0.12 -1.58 -0.37 0.00 0.71 0.00 0.00 54.79 53.67 3a4h n ASP 326 Cb 0.17 0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.33 3a4h n ASP 326 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3a4h s ARG 327 N -1.58 4.11 -0.38 -1.24 3.52 -1.08 -5.04 118.95 117.25 3a4h s ARG 327 Ca 0.18 -0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.41 3a4h s ARG 327 Cb 0.14 -3.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3a4h s ARG 327 CO 0.28 0.01 1.20 -1.17 -0.81 0.00 0.00 175.30 174.80 3a4h s LEU 328 N 1.19 3.77 -0.26 -0.88 2.96 -1.26 -4.98 118.68 119.21 3a4h s LEU 328 Ca 0.12 0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 54.87 3a4h s LEU 328 Cb -0.14 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.09 3a4h s LEU 328 CO 0.06 -1.14 0.05 -0.62 -1.32 0.00 0.00 176.35 173.38 3a4h s ASP 329 N 2.52 3.70 0.00 3.68 2.15 -1.26 -4.96 116.67 122.50 3a4h s ASP 329 Ca 0.51 -1.33 0.24 0.00 0.43 0.00 0.00 52.55 52.40 3a4h s ASP 329 Cb -0.12 -0.89 1.14 0.00 -0.30 0.00 0.00 42.92 42.76 3a4h s ASP 329 CO 0.25 -0.34 1.79 2.30 -0.17 0.00 0.00 175.17 179.00 3a4h n ILE 330 N 4.84 0.28 1.15 4.11 -5.35 -1.26 -2.65 119.36 120.48 3a4h n ILE 330 Ca -0.06 0.07 0.12 0.00 -0.27 0.00 0.00 62.75 62.62 3a4h n ILE 330 Cb 0.44 -0.66 0.21 0.00 -1.74 0.00 0.00 39.64 37.89 3a4h n ILE 330 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3a4h n THR 331 N -1.38 0.00 -1.05 7.28 -2.24 -1.26 -3.47 114.28 112.16 3a4h n THR 331 Ca 0.09 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 3a4h n THR 331 Cb 0.23 1.11 0.11 0.00 -2.10 0.00 0.00 70.33 69.69 3a4h n THR 331 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3a4h n ARG 332 N 0.64 0.06 -2.22 -0.78 0.63 -1.08 -4.96 116.66 108.94 3a4h n ARG 332 Ca 0.14 0.08 -0.31 0.00 -0.92 0.00 0.00 57.85 56.84 3a4h n ARG 332 Cb 0.49 -2.10 0.02 0.00 0.45 0.00 0.00 32.46 31.32 3a4h n ARG 332 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3a4h n ASP 333 N -1.90 5.72 -4.66 6.15 2.03 -1.26 -5.00 116.55 117.62 3a4h n ASP 333 Ca 0.11 -3.76 -0.39 0.00 0.52 0.00 0.00 54.79 51.26 3a4h n ASP 333 Cb 0.51 -0.66 0.03 0.00 -0.72 0.00 0.00 41.12 40.29 3a4h n ASP 333 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3a4h n ALA 334 N -0.54 0.77 -3.53 -1.67 0.00 -1.26 -5.03 120.51 109.24 3a4h n ALA 334 Ca 0.45 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.94 3a4h n ALA 334 Cb 0.56 -2.20 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 3a4h n ALA 334 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3a4h s SER 335 N -0.92 -0.16 0.00 0.00 0.01 -1.26 -4.97 113.70 106.40 3a4h s SER 335 Ca 0.69 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.70 3a4h s SER 335 Cb -0.46 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.10 3a4h s SER 335 CO 0.52 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.52 3a4h n GLY 336 N 5.39 1.92 3.76 3.44 0.00 -1.26 -5.10 105.19 113.34 3a4h n GLY 336 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3a4h n GLY 336 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a4h s GLY 337 N -2.00 2.59 -0.31 -0.02 0.00 -1.26 -4.97 107.32 101.35 3a4h s GLY 337 Ca 0.00 0.86 0.10 0.00 0.00 0.00 0.00 44.72 45.68 3a4h s GLY 337 CO 0.00 1.23 1.71 3.33 0.00 0.00 0.00 173.10 179.37 3a4h n VAL 338 N -1.62 2.81 0.07 1.40 0.24 -1.26 -4.56 118.33 115.41 3a4h n VAL 338 Ca 0.12 -1.88 -0.07 0.00 -2.04 0.00 0.00 64.34 60.47 3a4h n VAL 338 Cb 0.51 -0.35 0.07 0.00 -1.47 0.00 0.00 33.84 32.60 3a4h n VAL 338 CO 0.00 0.00 0.00 2.19 -2.14 0.00 0.00 176.83 176.88 3a4h h PHE 339 N 2.13 0.38 -0.02 6.34 -5.15 -1.88 -2.94 116.94 115.80 3a4h h PHE 339 Ca 0.25 -0.16 0.00 0.00 -0.20 0.00 0.00 57.97 57.86 3a4h h PHE 339 Cb 2.15 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 38.26 3a4h h PHE 339 CO 1.16 0.88 -0.01 1.19 -2.00 0.00 0.00 178.31 179.53 3a4h n PHE 340 N -3.82 0.00 -1.26 6.09 0.99 -1.26 -4.84 117.46 113.35 3a4h n PHE 340 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 3a4h n PHE 340 Cb 0.68 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.16 3a4h n PHE 340 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a4h n GLY 341 N 1.22 -1.79 3.57 1.37 0.00 -1.11 -0.70 105.19 107.75 3a4h n GLY 341 Ca 0.18 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 3a4h n GLY 341 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a4h s HIS 342 N 0.00 -0.65 0.00 1.61 2.46 -1.26 -4.70 115.29 112.75 3a4h s HIS 342 Ca 0.00 1.33 0.00 0.00 0.47 0.00 0.00 55.06 56.86 3a4h s HIS 342 Cb 0.00 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.82 3a4h s HIS 342 CO 0.00 -0.47 0.00 0.41 -2.47 0.00 0.00 174.74 172.21 3a4h n GLY 343 N 1.58 -1.08 0.34 1.59 0.00 -1.26 -4.18 105.19 102.18 3a4h n GLY 343 Ca -0.16 -1.23 0.19 0.00 0.00 0.00 0.00 46.02 44.83 3a4h n GLY 343 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3a4h h ILE 344 N 0.00 0.01 -0.71 -0.61 3.07 -2.00 0.71 117.51 117.97 3a4h h ILE 344 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3a4h h ILE 344 Cb 0.00 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 37.40 3a4h h ILE 344 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 3a4h n HIS 345 N -3.00 1.17 -1.63 0.16 8.25 -1.26 -5.01 115.22 113.90 3a4h n HIS 345 Ca -0.02 -0.54 -0.44 0.00 -0.26 0.00 0.00 57.72 56.45 3a4h n HIS 345 Cb 0.21 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 3a4h n HIS 345 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3a4h n PHE 346 N 1.49 1.68 -1.53 4.41 -0.00 0.24 -4.70 117.46 119.04 3a4h n PHE 346 Ca 0.25 0.62 -0.57 0.00 -0.00 0.00 0.00 57.45 57.76 3a4h n PHE 346 Cb 0.72 -2.33 -0.08 0.00 -0.00 0.00 0.00 39.48 37.79 3a4h n PHE 346 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3a4h h LEU 348 N 9.08 0.75 -3.81 0.00 5.85 -1.90 -2.87 115.31 122.42 3a4h h LEU 348 Ca -0.33 -0.26 -0.54 0.00 0.84 0.00 0.00 57.88 57.59 3a4h h LEU 348 Cb 1.34 -0.21 -0.25 0.00 0.37 0.00 0.00 40.66 41.92 3a4h h LEU 348 CO 1.01 0.95 0.69 0.61 -0.34 0.00 0.00 178.44 181.36 3a4h n GLY 349 N -0.27 5.00 0.13 3.75 0.00 -1.26 -4.68 105.19 107.85 3a4h n GLY 349 Ca 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.27 3a4h n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4h h ALA 350 N 1.64 0.32 -0.12 4.61 0.00 -1.89 -1.84 119.26 121.98 3a4h h ALA 350 Ca 0.53 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.22 3a4h h ALA 350 Cb 1.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3a4h h ALA 350 CO 1.23 -0.13 -0.53 1.96 0.00 0.00 0.00 179.25 181.79 3a4h h GLN 351 N 0.28 0.35 -0.42 0.00 1.08 -1.87 -2.38 115.11 112.16 3a4h h GLN 351 Ca 0.09 -0.21 -0.12 0.00 -1.45 0.00 0.00 58.65 56.95 3a4h h GLN 351 Cb 0.10 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3a4h h GLN 351 CO -0.01 0.79 -0.23 1.25 -0.95 0.00 0.00 178.83 179.68 3a4h h LEU 352 N 0.27 0.88 -0.24 1.46 5.85 -1.84 -1.78 115.31 119.92 3a4h h LEU 352 Ca 0.01 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3a4h h LEU 352 Cb 1.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3a4h h LEU 352 CO 0.09 1.07 0.14 0.00 -0.34 0.00 0.00 178.44 179.40 3a4h h ALA 353 N 0.99 0.30 -0.67 1.25 0.00 -1.20 -0.79 119.26 119.14 3a4h h ALA 353 Ca 0.10 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3a4h h ALA 353 Cb 0.77 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3a4h h ALA 353 CO 0.06 -0.19 0.43 0.00 0.00 0.00 0.00 179.25 179.56 3a4h h ARG 354 N 0.29 0.84 0.84 0.00 3.08 -1.33 -0.68 114.38 117.41 3a4h h ARG 354 Ca 0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3a4h h ARG 354 Cb 0.03 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3a4h h ARG 354 CO -0.02 0.56 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.90 3a4h h LEU 355 N 0.87 -1.16 -0.80 3.04 3.38 -0.99 -0.34 115.31 119.31 3a4h h LEU 355 Ca 0.26 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.46 3a4h h LEU 355 Cb -0.04 0.33 -0.11 0.00 0.09 0.00 0.00 40.66 40.92 3a4h h LEU 355 CO -0.08 -0.75 0.28 -0.33 0.09 0.00 0.00 178.44 177.65 3a4h h GLU 356 N -1.21 0.35 0.35 1.13 5.08 -1.04 -0.73 114.58 118.51 3a4h h GLU 356 Ca -0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3a4h h GLU 356 Cb 0.96 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 3a4h h GLU 356 CO 0.14 0.23 -0.38 0.78 -1.00 0.00 0.00 179.01 178.78 3a4h h GLY 357 N 0.36 -0.89 1.51 -3.84 0.00 -0.84 0.14 103.07 99.51 3a4h h GLY 357 Ca 0.46 0.44 -0.04 0.00 0.00 0.00 0.00 47.33 48.19 3a4h h GLY 357 CO -0.49 -0.31 0.08 0.07 0.00 0.00 0.00 176.54 175.89 3a4h h ARG 358 N -0.77 0.62 0.15 4.80 0.11 -0.20 -1.37 114.38 117.72 3a4h h ARG 358 Ca -0.02 -0.12 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 3a4h h ARG 358 Cb 0.70 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.68 3a4h h ARG 358 CO -0.08 0.59 -0.07 0.28 0.10 0.00 0.00 179.97 180.78 3a4h h VAL 359 N 0.61 0.82 -0.31 0.08 2.07 -1.03 -0.91 116.25 117.58 3a4h h VAL 359 Ca 0.14 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.51 3a4h h VAL 359 Cb 0.26 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3a4h h VAL 359 CO 0.00 0.22 0.02 0.00 0.02 0.00 0.00 177.57 177.83 3a4h h ALA 360 N -0.36 0.29 0.10 1.67 0.00 -0.67 -1.28 119.26 119.00 3a4h h ALA 360 Ca -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a4h h ALA 360 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3a4h h ALA 360 CO 0.03 -0.39 -0.05 0.82 0.00 0.00 0.00 179.25 179.67 3a4h h ILE 361 N 0.12 1.01 -0.46 0.00 2.04 -1.37 -2.75 117.51 116.10 3a4h h ILE 361 Ca 0.15 -1.36 0.06 0.00 1.00 0.00 0.00 64.86 64.71 3a4h h ILE 361 Cb 0.19 1.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 3a4h h ILE 361 CO -0.23 0.29 0.15 1.23 0.00 0.00 0.00 178.15 179.59 3a4h h GLY 362 N -0.86 0.59 1.62 5.37 0.00 -1.17 -2.29 103.07 106.34 3a4h h GLY 362 Ca -0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 3a4h h GLY 362 CO 0.02 0.00 -0.58 3.21 0.00 0.00 0.00 176.54 179.20 3a4h h ARG 363 N 0.32 0.39 -0.87 4.80 2.47 -1.37 -2.53 114.38 117.58 3a4h h ARG 363 Ca 0.22 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3a4h h ARG 363 Cb 0.23 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 3a4h h ARG 363 CO -0.23 0.86 0.52 1.25 0.56 0.00 0.00 179.97 182.92 3a4h h LEU 364 N 0.30 1.05 0.16 3.04 5.85 -1.13 0.10 115.31 124.69 3a4h h LEU 364 Ca -0.00 -0.07 -0.31 0.00 0.84 0.00 0.00 57.88 58.34 3a4h h LEU 364 Cb 1.10 -0.27 0.03 0.00 0.37 0.00 0.00 40.66 41.89 3a4h h LEU 364 CO 0.10 0.82 -1.33 -0.26 -0.34 0.00 0.00 178.44 177.42 3a4h h PHE 365 N 1.20 0.93 -0.35 1.25 -1.00 -1.44 -2.02 116.94 115.50 3a4h h PHE 365 Ca 0.31 -0.63 -0.06 0.00 2.81 0.00 0.00 57.97 60.40 3a4h h PHE 365 Cb -0.03 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 3a4h h PHE 365 CO 0.00 1.48 -0.04 0.00 -1.61 0.00 0.00 178.31 178.14 3a4h h ALA 366 N 0.29 1.28 0.14 2.45 0.00 -1.37 -2.78 119.26 119.26 3a4h h ALA 366 Ca -0.21 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 3a4h h ALA 366 Cb 2.02 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.66 3a4h h ALA 366 CO 0.25 0.48 -1.27 0.22 0.00 0.00 0.00 179.25 178.94 3a4h h ASP 367 N 0.54 0.45 -3.08 0.00 3.58 -1.03 -3.41 116.42 113.48 3a4h h ASP 367 Ca 0.11 -0.49 -0.61 0.00 0.42 0.00 0.00 57.03 56.46 3a4h h ASP 367 Cb 0.40 -0.15 -0.41 0.00 1.72 0.00 0.00 39.33 40.90 3a4h h ASP 367 CO 0.02 1.38 -0.70 -0.13 -2.88 0.00 0.00 179.24 176.93 3a4h s ARG 368 N -2.65 1.87 0.26 0.28 1.81 -0.76 -2.28 118.95 117.48 3a4h s ARG 368 Ca -0.04 -2.79 0.23 0.00 -1.72 0.00 0.00 55.73 51.40 3a4h s ARG 368 Cb 0.07 -2.76 0.99 0.00 -0.45 0.00 0.00 34.95 32.80 3a4h s ARG 368 CO 0.89 -1.28 1.69 -2.30 -0.68 0.00 0.00 175.30 173.62 3a4h n PRO 369 N 2.50 0.18 -0.83 3.54 -0.02 -1.06 -2.60 135.00 136.71 3a4h n PRO 369 Ca 0.19 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 3a4h n PRO 369 Cb 0.38 -1.87 0.40 0.00 -0.02 0.00 0.00 33.50 32.38 3a4h n PRO 369 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3a4h n GLU 370 N -2.22 4.61 -1.85 -0.52 -0.58 -1.26 -5.00 120.64 113.83 3a4h n GLU 370 Ca 0.02 -3.09 -0.41 0.00 -0.42 0.00 0.00 57.16 53.25 3a4h n GLU 370 Cb 0.20 -2.18 -0.02 0.00 -0.57 0.00 0.00 31.44 28.87 3a4h n GLU 370 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3a4h s LEU 371 N -2.51 4.36 -0.01 -4.62 2.96 -1.07 -4.57 118.68 113.21 3a4h s LEU 371 Ca 0.54 2.86 -0.16 0.00 -0.22 0.00 0.00 54.13 57.15 3a4h s LEU 371 Cb 0.39 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 43.48 3a4h s LEU 371 CO 0.18 -0.85 0.34 0.00 -1.32 0.00 0.00 176.35 174.70 3a4h s ALA 372 N 0.04 -0.85 0.18 5.97 0.00 -0.80 -5.01 121.76 121.28 3a4h s ALA 372 Ca 0.62 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 3a4h s ALA 372 Cb -0.46 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 3a4h s ALA 372 CO 0.46 -0.28 1.51 -0.51 0.00 0.00 0.00 175.76 176.94 3a4h s LEU 373 N -1.39 4.37 0.00 0.00 1.43 -1.26 -0.28 118.68 121.55 3a4h s LEU 373 Ca -0.13 2.59 0.20 0.00 -1.03 0.00 0.00 54.13 55.77 3a4h s LEU 373 Cb -0.04 -3.60 0.57 0.00 0.03 0.00 0.00 46.19 43.14 3a4h s LEU 373 CO 0.04 -0.77 1.46 0.00 0.23 0.00 0.00 176.35 177.30 3a4h n ALA 374 N 3.56 2.46 -2.20 4.21 0.00 -0.65 -4.74 120.51 123.15 3a4h n ALA 374 Ca 0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.71 3a4h n ALA 374 Cb 0.39 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 3a4h n ALA 374 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a4h s VAL 375 N -1.60 0.09 0.69 0.00 -7.23 -1.26 -4.96 120.40 106.14 3a4h s VAL 375 Ca 0.34 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.49 3a4h s VAL 375 Cb 0.19 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 35.09 3a4h s VAL 375 CO 0.27 -0.42 1.14 -0.83 -0.31 0.00 0.00 175.10 174.96 3a4h s GLY 376 N -3.05 2.22 0.30 2.32 0.00 -1.26 -4.95 107.32 102.90 3a4h s GLY 376 Ca 0.25 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.64 3a4h s GLY 376 CO 0.02 1.04 1.89 -2.00 0.00 0.00 0.00 173.10 174.05 3a4h h LEU 377 N -0.09 0.91 -0.73 0.66 7.12 -1.99 -1.92 115.31 119.27 3a4h h LEU 377 Ca -0.47 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 57.54 3a4h h LEU 377 Cb 1.26 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.22 3a4h h LEU 377 CO 0.52 0.56 -0.09 -2.24 -0.13 0.00 0.00 178.44 177.06 3a4h h ASP 378 N 1.02 0.00 0.83 1.25 2.03 -2.02 -3.06 116.42 116.46 3a4h h ASP 378 Ca 0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 3a4h h ASP 378 Cb 0.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 3a4h h ASP 378 CO -0.18 0.09 0.00 -0.62 -1.03 0.00 0.00 179.24 177.50 3a4h n GLU 379 N -3.16 0.06 -2.26 4.15 1.02 -0.72 -4.80 120.64 114.92 3a4h n GLU 379 Ca 0.02 0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.93 3a4h n GLU 379 Cb 0.45 -1.59 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 3a4h n GLU 379 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a4h s LEU 380 N -3.40 4.41 -0.22 -4.62 1.43 -1.16 -5.02 118.68 110.10 3a4h s LEU 380 Ca 0.09 2.32 -0.09 0.00 -1.03 0.00 0.00 54.13 55.42 3a4h s LEU 380 Cb 0.13 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 3a4h s LEU 380 CO 0.42 -0.51 0.12 -0.69 0.23 0.00 0.00 176.35 175.91 3a4h s VAL 381 N 0.35 5.08 -0.01 -1.59 1.01 -1.26 -5.01 120.40 118.97 3a4h s VAL 381 Ca 0.57 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 3a4h s VAL 381 Cb -0.35 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3a4h s VAL 381 CO 0.36 0.39 0.12 -0.31 0.00 0.00 0.00 175.10 175.65 3a4h s TYR 382 N 0.83 3.38 0.31 5.22 1.51 -1.26 -2.38 117.35 124.96 3a4h s TYR 382 Ca 0.06 0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 56.09 3a4h s TYR 382 Cb -0.13 -1.77 -0.10 0.00 -0.11 0.00 0.00 41.96 39.84 3a4h s TYR 382 CO 0.02 0.59 1.40 1.03 -1.11 0.00 0.00 175.55 177.48 3a4h s ARG 383 N -1.78 4.27 -1.34 -0.62 0.52 -0.60 -4.86 118.95 114.53 3a4h s ARG 383 Ca 0.24 2.33 -0.07 0.00 -0.52 0.00 0.00 55.73 57.71 3a4h s ARG 383 Cb -0.12 -3.06 0.12 0.00 0.52 0.00 0.00 34.95 32.40 3a4h s ARG 383 CO 0.15 -0.35 2.29 0.39 0.02 0.00 0.00 175.30 177.80 3a4h n GLU 384 N 1.27 4.22 -4.78 3.54 1.02 -1.26 -4.79 120.64 119.86 3a4h n GLU 384 Ca 0.03 -3.36 -0.33 0.00 -0.02 0.00 0.00 57.16 53.47 3a4h n GLU 384 Cb 0.41 -2.74 -0.13 0.00 -0.02 0.00 0.00 31.44 28.96 3a4h n GLU 384 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a4h s SER 385 N 0.69 4.23 0.02 1.62 0.15 -1.26 -5.05 113.70 114.10 3a4h s SER 385 Ca 0.51 -0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.74 3a4h s SER 385 Cb 0.16 -1.08 -0.17 0.00 -1.71 0.00 0.00 66.02 63.22 3a4h s SER 385 CO -0.06 0.32 1.32 0.74 1.20 0.00 0.00 173.24 176.75 3a4h h THR 386 N 4.49 0.75 -0.01 6.45 2.02 -2.00 -3.28 112.91 121.32 3a4h h THR 386 Ca -0.44 -0.54 -0.11 0.00 0.77 0.00 0.00 66.41 66.09 3a4h h THR 386 Cb 1.17 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 3a4h h THR 386 CO 0.52 0.11 -0.52 -0.07 0.37 0.00 0.00 175.52 175.93 3a4h h LEU 387 N -0.68 0.04 -9.18 2.58 3.38 -1.96 -3.38 115.31 106.11 3a4h h LEU 387 Ca -0.04 -0.02 -0.68 0.00 0.09 0.00 0.00 57.88 57.23 3a4h h LEU 387 Cb 0.47 -0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.03 3a4h h LEU 387 CO 0.06 0.55 -0.68 -0.69 0.09 0.00 0.00 178.44 177.78 3a4h s VAL 388 N -3.85 3.87 -0.33 1.22 1.01 -1.24 -0.34 120.40 120.73 3a4h s VAL 388 Ca -0.02 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3a4h s VAL 388 Cb 0.13 -2.62 0.09 0.00 0.00 0.00 0.00 36.38 33.99 3a4h s VAL 388 CO 0.75 0.56 0.03 -0.60 0.00 0.00 0.00 175.10 175.84 3a4h s ARG 389 N -0.97 1.68 -0.02 2.72 6.06 0.15 -4.51 118.95 124.07 3a4h s ARG 389 Ca 0.14 -1.76 -0.30 0.00 -2.50 0.00 0.00 55.73 51.31 3a4h s ARG 389 Cb -0.11 -3.17 0.11 0.00 0.06 0.00 0.00 34.95 31.84 3a4h s ARG 389 CO 0.03 -0.87 1.09 0.20 -2.50 0.00 0.00 175.30 173.25 3a4h s GLY 390 N 1.00 -0.35 0.21 8.12 0.00 -1.26 -4.50 107.32 110.54 3a4h s GLY 390 Ca 0.07 0.87 -0.13 0.00 0.00 0.00 0.00 44.72 45.52 3a4h s GLY 390 CO -0.07 0.25 0.60 1.08 0.00 0.00 0.00 173.10 174.96 3a4h s LEU 391 N -2.64 4.24 -0.06 0.66 1.43 -1.26 -1.56 118.68 119.49 3a4h s LEU 391 Ca 0.10 1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 54.12 3a4h s LEU 391 Cb 0.00 -3.57 -0.30 0.00 0.03 0.00 0.00 46.19 42.35 3a4h s LEU 391 CO -0.04 -0.01 0.72 0.77 0.23 0.00 0.00 176.35 178.02 3a4h h SER 392 N 2.99 0.49 -4.39 2.29 4.64 -1.80 -3.45 113.55 114.32 3a4h h SER 392 Ca -0.48 -0.90 -0.28 0.00 -0.47 0.00 0.00 61.79 59.66 3a4h h SER 392 Cb 1.18 -0.16 -0.24 0.00 -0.31 0.00 0.00 62.40 62.87 3a4h h SER 392 CO 0.67 1.58 -0.74 -0.13 -0.87 0.00 0.00 176.83 177.35 3a4h s ARG 393 N -2.49 0.42 -0.40 4.77 0.52 -1.26 -4.64 118.95 115.87 3a4h s ARG 393 Ca -0.16 -0.47 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 3a4h s ARG 393 Cb 0.03 -0.27 0.15 0.00 0.52 0.00 0.00 34.95 35.39 3a4h s ARG 393 CO 0.82 0.06 0.29 1.41 0.02 0.00 0.00 175.30 177.89 3a4h s MET 394 N -0.90 0.88 0.04 3.54 1.75 -1.26 -4.55 119.30 118.80 3a4h s MET 394 Ca -0.05 -1.85 -0.30 0.00 -1.25 0.00 0.00 55.69 52.24 3a4h s MET 394 Cb -0.06 -1.56 -0.09 0.00 2.84 0.00 0.00 34.83 35.96 3a4h s MET 394 CO 0.00 -1.29 1.87 -2.14 -0.65 0.00 0.00 175.02 172.82 3a4h s PRO 395 N 0.42 4.15 0.13 4.11 0.02 -1.26 -1.29 135.00 141.28 3a4h s PRO 395 Ca 0.25 2.53 0.06 0.00 0.02 0.00 0.00 61.00 63.86 3a4h s PRO 395 Cb -0.10 -3.99 -0.04 0.00 0.02 0.00 0.00 34.50 30.39 3a4h s PRO 395 CO -0.09 -0.90 -0.13 0.14 -0.33 0.00 0.00 177.00 175.68 3a4h s VAL 396 N 3.93 1.31 -0.26 3.83 -7.23 0.81 -1.64 120.40 121.16 3a4h s VAL 396 Ca 0.84 -1.80 -0.09 0.00 -1.81 0.00 0.00 61.98 59.12 3a4h s VAL 396 Cb -0.42 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3a4h s VAL 396 CO 0.38 -0.49 0.12 -0.89 -0.31 0.00 0.00 175.10 173.91 3a4h s THR 397 N -2.40 4.74 -0.03 5.32 2.01 0.61 -0.62 115.64 125.27 3a4h s THR 397 Ca 0.11 -0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 3a4h s THR 397 Cb -0.03 -3.23 -0.16 0.00 0.01 0.00 0.00 72.50 69.09 3a4h s THR 397 CO 0.03 0.31 0.99 0.24 -0.69 0.00 0.00 174.62 175.50 3a4h h MET 398 N 8.16 -0.27 0.00 4.92 2.86 -1.81 -2.13 114.93 126.66 3a4h h MET 398 Ca -0.37 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3a4h h MET 398 Cb 1.18 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.90 3a4h h MET 398 CO 0.58 0.13 0.00 0.41 1.06 0.00 0.00 176.91 179.08 3a4h n GLY 399 N 0.30 -0.38 3.75 8.32 0.00 0.19 -3.24 105.19 114.14 3a4h n GLY 399 Ca -0.08 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3a4h n GLY 399 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3a4h n PRO 400 N -0.38 2.65 -2.46 1.61 -0.04 -1.26 -4.46 135.00 130.66 3a4h n PRO 400 Ca 0.00 0.94 -0.40 0.00 -0.04 0.00 0.00 63.50 63.99 3a4h n PRO 400 Cb 0.00 -2.69 -0.04 0.00 -0.04 0.00 0.00 33.50 30.73 3a4h n PRO 400 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3a4h s ARG 401 N -1.25 4.63 -0.24 0.54 0.52 -1.26 -4.45 118.95 117.44 3a4h s ARG 401 Ca 0.59 1.82 -0.16 0.00 -0.52 0.00 0.00 55.73 57.46 3a4h s ARG 401 Cb -0.49 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 3a4h s ARG 401 CO 0.56 0.20 0.42 -1.54 0.02 0.00 0.00 175.30 174.95 3a4h s SER 402 N -0.87 6.37 0.00 0.23 1.04 -0.97 -5.05 113.70 114.46 3a4h s SER 402 Ca 0.45 0.44 0.14 0.00 0.48 0.00 0.00 55.95 57.45 3a4h s SER 402 Cb -0.32 -2.24 0.11 0.00 0.10 0.00 0.00 66.02 63.67 3a4h s SER 402 CO 0.41 -0.17 0.94 0.00 0.98 0.00 0.00 173.24 175.40