#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df0 s ILE 25 N 0.00 4.19 -0.41 0.00 -1.09 0.11 -4.88 121.20 119.12 3df0 s ILE 25 Ca 0.00 1.96 -0.26 0.00 -2.23 0.00 0.00 60.65 60.12 3df0 s ILE 25 Cb 0.00 -4.27 0.02 0.00 -1.58 0.00 0.00 42.46 36.63 3df0 s ILE 25 CO 0.00 0.50 0.96 -0.54 -1.23 0.00 0.00 174.94 174.63 3df0 s LYS 26 N -1.10 3.75 0.38 2.79 3.01 -1.26 -1.64 119.74 125.66 3df0 s LYS 26 Ca 0.40 0.48 -0.27 0.00 -1.01 0.00 0.00 55.97 55.57 3df0 s LYS 26 Cb -0.25 -3.85 -0.11 0.00 -1.01 0.00 0.00 37.83 32.61 3df0 s LYS 26 CO 0.30 -1.08 1.29 0.98 0.51 0.00 0.00 175.35 177.35 3df0 n TYR 27 N 7.03 2.26 -0.96 3.18 9.36 -0.67 -1.41 117.16 135.97 3df0 n TYR 27 Ca 0.08 0.53 -0.04 0.00 3.32 0.00 0.00 57.90 61.78 3df0 n TYR 27 Cb 0.48 -2.41 -0.02 0.00 -0.63 0.00 0.00 39.34 36.77 3df0 n TYR 27 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3df0 n LEU 28 N 0.53 -0.25 -3.18 2.98 4.77 -1.26 -1.36 117.00 119.23 3df0 n LEU 28 Ca 0.05 0.11 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 3df0 n LEU 28 Cb 0.38 -1.10 0.02 0.00 -2.33 0.00 0.00 43.42 40.38 3df0 n LEU 28 CO 0.61 -0.28 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.17 3df0 n ASN 29 N 0.73 -4.91 -4.90 -1.43 2.85 -0.50 -4.99 115.26 102.10 3df0 n ASN 29 Ca -0.04 -0.33 -0.33 0.00 -0.11 0.00 0.00 54.58 53.77 3df0 n ASN 29 Cb 0.17 -4.01 -0.05 0.00 1.24 0.00 0.00 39.78 37.13 3df0 n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3df0 s GLN 30 N -5.84 3.48 -0.03 1.20 -0.21 -0.46 -5.09 119.66 112.70 3df0 s GLN 30 Ca 0.34 -0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.47 3df0 s GLN 30 Cb -0.17 -3.07 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 3df0 s GLN 30 CO 0.43 0.64 -0.11 0.34 -2.12 0.00 0.00 175.29 174.47 3df0 s ASP 31 N -2.04 4.28 0.04 5.90 2.15 -1.26 -4.51 116.67 121.23 3df0 s ASP 31 Ca 0.30 -0.17 -0.32 0.00 0.43 0.00 0.00 52.55 52.79 3df0 s ASP 31 Cb -0.13 -0.95 -0.18 0.00 -0.30 0.00 0.00 42.92 41.36 3df0 s ASP 31 CO 0.20 0.33 1.41 0.22 -0.17 0.00 0.00 175.17 177.16 3df0 h TYR 32 N 5.07 -0.94 0.00 -5.34 5.03 -1.97 -3.03 116.97 115.79 3df0 h TYR 32 Ca -0.48 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.81 3df0 h TYR 32 Cb 1.16 0.31 0.00 0.00 1.55 0.00 0.00 36.73 39.75 3df0 h TYR 32 CO 0.53 -0.56 0.00 0.39 -1.32 0.00 0.00 178.16 177.20 3df0 n GLU 33 N -5.48 0.35 -0.07 1.82 -0.58 -1.26 -1.25 120.64 114.17 3df0 n GLU 33 Ca -0.14 0.07 0.11 0.00 -0.42 0.00 0.00 57.16 56.78 3df0 n GLU 33 Cb 0.41 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.91 3df0 n GLU 33 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3df0 n THR 34 N -1.26 0.21 -0.12 2.62 -1.04 -1.23 -3.64 114.28 109.82 3df0 n THR 34 Ca 0.11 -0.60 -0.25 0.00 -2.04 0.00 0.00 64.05 61.26 3df0 n THR 34 Cb 0.17 1.24 -0.08 0.00 -1.82 0.00 0.00 70.33 69.84 3df0 n THR 34 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3df0 n LEU 35 N 1.23 1.81 -0.07 -4.42 7.99 -0.38 -4.11 117.00 119.06 3df0 n LEU 35 Ca 0.14 0.31 0.12 0.00 -0.01 0.00 0.00 56.01 56.58 3df0 n LEU 35 Cb 0.54 -0.75 0.51 0.00 -0.11 0.00 0.00 43.42 43.62 3df0 n LEU 35 CO 0.14 0.43 1.18 -0.09 -1.51 0.00 0.00 177.39 177.54 3df0 h ARG 36 N -0.92 0.37 -0.35 3.23 2.43 -1.44 0.19 114.38 117.88 3df0 h ARG 36 Ca -0.58 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.48 3df0 h ARG 36 Cb 1.49 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.94 3df0 h ARG 36 CO -0.35 0.24 -0.18 -0.91 -1.51 0.00 0.00 179.97 177.26 3df0 h ASN 37 N 0.38 0.66 -0.42 -3.80 4.21 -1.80 -3.34 115.58 111.47 3df0 h ASN 37 Ca 0.27 -0.21 -0.24 0.00 1.21 0.00 0.00 56.30 57.33 3df0 h ASN 37 Cb 0.55 -0.18 -0.13 0.00 -1.12 0.00 0.00 38.32 37.44 3df0 h ASN 37 CO -0.07 0.84 0.30 1.21 -1.29 0.00 0.00 177.43 178.42 3df0 n GLU 38 N -4.14 1.57 0.04 0.81 2.13 0.66 -3.76 120.64 117.96 3df0 n GLU 38 Ca 0.00 -1.30 0.00 0.00 0.66 0.00 0.00 57.16 56.52 3df0 n GLU 38 Cb 0.39 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.59 3df0 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3df0 n LEU 40 N -3.30 0.00 -0.00 0.00 7.99 -1.25 0.12 117.00 120.55 3df0 n LEU 40 Ca 0.00 0.44 0.07 0.00 -0.01 0.00 0.00 56.01 56.51 3df0 n LEU 40 Cb 0.14 -0.44 -0.10 0.00 -0.11 0.00 0.00 43.42 42.91 3df0 n LEU 40 CO 0.00 -0.44 -0.51 -0.62 -1.51 0.00 0.00 177.39 174.31 3df0 n GLU 41 N -1.44 0.92 -0.11 3.23 1.02 -1.25 -4.80 120.64 118.21 3df0 n GLU 41 Ca 0.00 -0.10 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 3df0 n GLU 41 Cb 0.01 -1.29 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 3df0 n GLU 41 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3df0 n ALA 42 N -1.83 1.41 0.00 0.62 0.00 0.31 -5.11 120.51 115.92 3df0 n ALA 42 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3df0 n ALA 42 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3df0 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df0 n GLY 43 N 2.15 -0.31 0.00 0.00 0.00 0.60 -5.03 105.19 102.61 3df0 n GLY 43 Ca -0.43 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3df0 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df0 n ALA 44 N -0.42 0.00 -2.32 4.61 0.00 -1.26 -4.71 120.51 116.40 3df0 n ALA 44 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3df0 n ALA 44 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3df0 n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3df0 s LEU 45 N 0.00 4.43 -0.21 0.00 1.43 -1.26 -4.92 118.68 118.15 3df0 s LEU 45 Ca 0.00 1.16 -0.12 0.00 -1.03 0.00 0.00 54.13 54.14 3df0 s LEU 45 Cb 0.00 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.11 3df0 s LEU 45 CO 0.00 0.19 0.25 -0.36 0.23 0.00 0.00 176.35 176.66 3df0 s PHE 46 N -1.28 3.36 0.00 0.29 0.40 -0.88 -5.02 117.98 114.85 3df0 s PHE 46 Ca 0.33 0.40 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 3df0 s PHE 46 Cb -0.17 -2.34 0.00 0.00 0.51 0.00 0.00 43.02 41.02 3df0 s PHE 46 CO 0.19 0.09 0.00 1.04 0.70 0.00 0.00 175.22 177.24 3df0 n GLN 47 N 4.16 0.14 -3.35 0.44 3.00 -1.26 -4.64 117.38 115.87 3df0 n GLN 47 Ca -0.13 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.72 3df0 n GLN 47 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.68 3df0 n GLN 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3df0 s ASP 48 N -1.37 1.05 0.15 1.08 -0.00 -1.26 -4.81 116.67 111.51 3df0 s ASP 48 Ca 0.00 -0.87 -0.17 0.00 -0.00 0.00 0.00 52.55 51.51 3df0 s ASP 48 Cb 0.00 0.75 0.04 0.00 -0.00 0.00 0.00 42.92 43.70 3df0 s ASP 48 CO 0.00 -0.34 1.73 1.55 -0.00 0.00 0.00 175.17 178.11 3df0 h PRO 49 N 7.87 0.16 -0.98 8.23 0.13 -2.00 -2.69 132.00 142.73 3df0 h PRO 49 Ca -0.06 -0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.20 3df0 h PRO 49 Cb 1.09 -0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.09 3df0 h PRO 49 CO 0.27 0.11 0.59 0.66 -0.23 0.00 0.00 178.00 179.40 3df0 h SER 50 N 0.17 0.82 -2.99 1.44 4.64 -1.99 -3.37 113.55 112.26 3df0 h SER 50 Ca 0.14 0.07 -0.59 0.00 -0.47 0.00 0.00 61.79 60.94 3df0 h SER 50 Cb 0.16 -0.08 -0.39 0.00 -0.31 0.00 0.00 62.40 61.77 3df0 h SER 50 CO -0.19 0.38 -0.80 0.12 -0.87 0.00 0.00 176.83 175.47 3df0 s PHE 51 N -5.93 1.32 0.60 4.77 2.19 -1.02 -5.13 117.98 114.78 3df0 s PHE 51 Ca -0.12 -2.02 -0.18 0.00 0.33 0.00 0.00 56.93 54.95 3df0 s PHE 51 Cb 0.23 -1.36 -0.07 0.00 -1.31 0.00 0.00 43.02 40.50 3df0 s PHE 51 CO 0.80 -0.81 0.58 -0.35 1.83 0.00 0.00 175.22 177.27 3df0 n PRO 52 N 3.76 0.52 -1.76 10.12 -0.04 -1.20 -4.60 135.00 141.80 3df0 n PRO 52 Ca 0.11 0.21 -0.34 0.00 -0.04 0.00 0.00 63.50 63.44 3df0 n PRO 52 Cb 0.36 -1.78 0.05 0.00 -0.04 0.00 0.00 33.50 32.09 3df0 n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3df0 n ALA 53 N -1.82 6.07 -2.69 0.55 0.00 -1.26 -4.69 120.51 116.66 3df0 n ALA 53 Ca 0.12 -3.84 -0.25 0.00 0.00 0.00 0.00 53.44 49.47 3df0 n ALA 53 Cb 0.48 -1.50 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 3df0 n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3df0 s LEU 54 N -3.85 3.39 -0.16 0.00 2.01 -1.26 -4.98 118.68 113.83 3df0 s LEU 54 Ca 0.57 -0.42 -0.03 0.00 0.01 0.00 0.00 54.13 54.25 3df0 s LEU 54 Cb 0.46 -1.99 -0.11 0.00 0.01 0.00 0.00 46.19 44.57 3df0 s LEU 54 CO -0.16 0.05 1.95 -2.65 1.01 0.00 0.00 176.35 176.55 3df0 n PRO 55 N -0.49 1.10 0.00 1.29 -0.02 -1.26 -1.19 135.00 134.43 3df0 n PRO 55 Ca -0.08 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.75 3df0 n PRO 55 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3df0 n PRO 55 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3df0 n SER 56 N 3.10 0.00 -1.47 2.55 7.64 -1.26 -4.47 113.62 119.71 3df0 n SER 56 Ca 0.24 -0.98 -0.09 0.00 1.01 0.00 0.00 58.87 59.05 3df0 n SER 56 Cb 0.36 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.62 3df0 n SER 56 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3df0 n SER 57 N 0.00 3.62 0.08 6.43 7.64 -0.34 -4.25 113.62 126.81 3df0 n SER 57 Ca 0.00 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.28 3df0 n SER 57 Cb 0.25 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3df0 n SER 57 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3df0 n LEU 58 N 0.02 0.01 0.00 -3.43 7.94 -1.26 -3.89 117.00 116.38 3df0 n LEU 58 Ca 0.21 0.28 -0.02 0.00 -1.11 0.00 0.00 56.01 55.37 3df0 n LEU 58 Cb 0.87 0.19 0.01 0.00 0.53 0.00 0.00 43.42 45.02 3df0 n LEU 58 CO 0.22 -0.68 0.19 0.61 -1.11 0.00 0.00 177.39 176.61 3df0 n GLY 59 N 1.81 1.55 0.77 -3.96 0.00 -1.24 0.62 105.19 104.74 3df0 n GLY 59 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3df0 n GLY 59 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3df0 n PHE 60 N -0.18 -0.17 0.00 1.61 1.16 -1.25 -4.39 117.46 114.23 3df0 n PHE 60 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 3df0 n PHE 60 Cb 0.18 0.19 0.00 0.00 -1.61 0.00 0.00 39.48 38.25 3df0 n PHE 60 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 3df0 n LYS 61 N -1.88 0.00 0.25 3.97 4.81 -1.26 -4.24 118.16 119.81 3df0 n LYS 61 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 3df0 n LYS 61 Cb 0.00 0.00 0.51 0.00 0.02 0.00 0.00 35.03 35.56 3df0 n LYS 61 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3df0 h GLU 62 N 0.00 0.00 -0.53 1.64 4.22 -2.00 -1.32 114.58 116.59 3df0 h GLU 62 Ca 0.00 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.08 3df0 h GLU 62 Cb 0.00 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.86 3df0 h GLU 62 CO 0.00 0.03 -0.95 -0.11 -2.18 0.00 0.00 179.01 175.80 3df0 n LEU 63 N -3.12 3.13 -4.84 1.64 7.94 -1.26 -4.90 117.00 115.59 3df0 n LEU 63 Ca 0.02 -3.80 -0.32 0.00 -1.11 0.00 0.00 56.01 50.79 3df0 n LEU 63 Cb 0.39 0.03 -0.02 0.00 0.53 0.00 0.00 43.42 44.34 3df0 n LEU 63 CO 0.30 1.51 0.69 -0.83 -1.11 0.00 0.00 177.39 177.95 3df0 s GLY 64 N -3.59 2.06 0.16 -3.96 0.00 -0.50 -3.58 107.32 97.90 3df0 s GLY 64 Ca 0.39 0.21 0.10 0.00 0.00 0.00 0.00 44.72 45.42 3df0 s GLY 64 CO -0.01 0.50 0.37 -1.05 0.00 0.00 0.00 173.10 172.91 3df0 n PRO 65 N -1.73 0.00 -2.30 2.90 -0.02 -1.26 -1.33 135.00 131.27 3df0 n PRO 65 Ca 0.07 0.28 -0.02 0.00 -2.02 0.00 0.00 63.50 61.80 3df0 n PRO 65 Cb 0.54 -0.67 0.07 0.00 -0.02 0.00 0.00 33.50 33.42 3df0 n PRO 65 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3df0 n TYR 66 N -2.09 -0.97 -2.76 6.00 0.18 -1.26 -5.00 117.16 111.26 3df0 n TYR 66 Ca 0.08 -1.48 -0.42 0.00 1.88 0.00 0.00 57.90 57.97 3df0 n TYR 66 Cb 0.46 0.94 -0.03 0.00 -0.38 0.00 0.00 39.34 40.33 3df0 n TYR 66 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3df0 s SER 67 N -1.62 7.29 0.05 9.48 0.15 -0.44 -4.95 113.70 123.66 3df0 s SER 67 Ca 0.12 1.56 -0.04 0.00 0.70 0.00 0.00 55.95 58.29 3df0 s SER 67 Cb 0.34 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 62.16 3df0 s SER 67 CO -0.09 -0.27 0.33 -1.20 1.20 0.00 0.00 173.24 173.21 3df0 n SER 68 N 4.07 -0.14 -0.18 5.45 7.64 -1.26 -0.91 113.62 128.29 3df0 n SER 68 Ca 0.05 0.37 0.04 0.00 1.01 0.00 0.00 58.87 60.34 3df0 n SER 68 Cb 0.51 -0.08 0.08 0.00 -1.01 0.00 0.00 64.21 63.71 3df0 n SER 68 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3df0 n LYS 69 N -4.31 -0.04 -2.96 1.43 4.01 -1.26 -4.17 118.16 110.85 3df0 n LYS 69 Ca 0.02 0.79 -0.43 0.00 -0.51 0.00 0.00 58.31 58.17 3df0 n LYS 69 Cb 0.08 -1.19 -0.05 0.00 -0.51 0.00 0.00 35.03 33.37 3df0 n LYS 69 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3df0 s THR 70 N -5.59 4.55 0.00 -0.18 -4.23 -0.08 -4.95 115.64 105.15 3df0 s THR 70 Ca -0.07 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 3df0 s THR 70 Cb 0.14 -4.53 0.00 0.00 1.34 0.00 0.00 72.50 69.45 3df0 s THR 70 CO 0.40 -1.18 0.00 -1.14 -0.54 0.00 0.00 174.62 172.16 3df0 n ARG 71 N 7.07 0.00 0.00 3.99 0.63 -1.26 -4.85 116.66 122.24 3df0 n ARG 71 Ca -0.04 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3df0 n ARG 71 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 3df0 n ARG 71 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3df0 n GLY 72 N -0.00 1.75 3.72 5.14 0.00 -1.26 -5.04 105.19 109.50 3df0 n GLY 72 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3df0 n GLY 72 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3df0 s ILE 73 N -2.34 3.90 -0.02 -0.61 -5.25 -1.26 -4.55 121.20 111.07 3df0 s ILE 73 Ca 0.00 1.44 0.01 0.00 -0.99 0.00 0.00 60.65 61.11 3df0 s ILE 73 Cb 0.00 -3.92 0.01 0.00 2.95 0.00 0.00 42.46 41.50 3df0 s ILE 73 CO 0.00 0.16 -0.04 -1.61 -1.79 0.00 0.00 174.94 171.65 3df0 s GLU 74 N 0.58 0.52 -0.93 0.37 2.02 -0.14 -4.95 118.70 116.17 3df0 s GLU 74 Ca 0.56 -0.12 -0.21 0.00 0.02 0.00 0.00 54.97 55.22 3df0 s GLU 74 Cb -0.30 -0.54 0.09 0.00 0.10 0.00 0.00 34.13 33.47 3df0 s GLU 74 CO 0.32 0.02 1.24 -1.58 0.02 0.00 0.00 175.26 175.27 3df0 s TRP 75 N 0.34 2.82 -0.14 1.61 0.52 -1.25 -0.43 118.94 122.41 3df0 s TRP 75 Ca -0.04 -1.05 -0.04 0.00 0.02 0.00 0.00 56.10 54.99 3df0 s TRP 75 Cb -0.07 -4.45 -0.03 0.00 -1.15 0.00 0.00 33.47 27.76 3df0 s TRP 75 CO -0.00 -1.69 0.01 0.15 0.02 0.00 0.00 176.95 175.43 3df0 s LYS 76 N 3.79 3.50 0.68 4.98 -0.14 -0.76 -4.70 119.74 127.08 3df0 s LYS 76 Ca 0.37 -0.42 -0.13 0.00 -1.36 0.00 0.00 55.97 54.43 3df0 s LYS 76 Cb -0.04 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.15 3df0 s LYS 76 CO -0.07 0.43 1.07 1.03 -0.76 0.00 0.00 175.35 177.06 3df0 s ARG 77 N -0.13 2.88 0.43 1.68 0.52 -1.26 -2.56 118.95 120.51 3df0 s ARG 77 Ca 0.05 1.13 0.15 0.00 -0.52 0.00 0.00 55.73 56.54 3df0 s ARG 77 Cb -0.13 -1.98 1.05 0.00 0.52 0.00 0.00 34.95 34.42 3df0 s ARG 77 CO 0.02 -1.16 1.93 -1.35 0.02 0.00 0.00 175.30 174.77 3df0 h PRO 78 N -0.38 0.40 -0.04 3.54 0.11 -1.95 -0.77 132.00 132.89 3df0 h PRO 78 Ca -0.45 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.65 3df0 h PRO 78 Cb 1.22 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3df0 h PRO 78 CO 0.55 0.26 0.05 1.79 -0.21 0.00 0.00 178.00 180.45 3df0 h THR 79 N 0.41 0.47 0.00 -1.15 1.35 -1.93 -3.12 112.91 108.93 3df0 h THR 79 Ca 0.35 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 66.02 3df0 h THR 79 Cb 0.79 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 68.13 3df0 h THR 79 CO -0.11 0.00 -1.74 -0.62 -0.25 0.00 0.00 175.52 172.81 3df0 n GLU 80 N -3.77 0.64 -0.35 4.72 1.02 -0.30 -4.28 120.64 118.32 3df0 n GLU 80 Ca -0.02 0.10 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 3df0 n GLU 80 Cb 0.14 -1.70 0.16 0.00 -0.02 0.00 0.00 31.44 30.02 3df0 n GLU 80 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3df0 n ILE 81 N -2.76 1.88 -3.15 -3.67 -5.35 -1.21 -4.97 119.36 100.13 3df0 n ILE 81 Ca -0.14 -2.53 0.06 0.00 -0.27 0.00 0.00 62.75 59.86 3df0 n ILE 81 Cb 0.87 -0.17 -0.02 0.00 -1.74 0.00 0.00 39.64 38.59 3df0 n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3df0 h ALA 83 N 7.96 1.23 -2.85 0.00 0.00 -1.83 -3.32 119.26 120.46 3df0 h ALA 83 Ca -0.12 0.03 -0.70 0.00 0.00 0.00 0.00 54.91 54.12 3df0 h ALA 83 Cb 1.18 -0.15 -0.36 0.00 0.00 0.00 0.00 17.79 18.46 3df0 h ALA 83 CO -0.14 0.13 -0.11 -0.25 0.00 0.00 0.00 179.25 178.88 3df0 n ASP 84 N -4.71 4.15 -4.61 0.00 8.00 -1.26 -5.03 116.55 113.10 3df0 n ASP 84 Ca 0.14 -3.14 -0.43 0.00 0.71 0.00 0.00 54.79 52.07 3df0 n ASP 84 Cb 0.28 -1.04 -0.02 0.00 -0.02 0.00 0.00 41.12 40.33 3df0 n ASP 84 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3df0 s PRO 85 N -1.41 3.66 0.30 -0.24 0.02 -1.25 -4.82 135.00 131.26 3df0 s PRO 85 Ca 0.28 0.91 0.07 0.00 0.02 0.00 0.00 61.00 62.28 3df0 s PRO 85 Cb -0.07 -3.98 -0.03 0.00 0.02 0.00 0.00 34.50 30.45 3df0 s PRO 85 CO -0.13 -1.46 0.26 -0.65 -0.33 0.00 0.00 177.00 174.69 3df0 s GLN 86 N 4.72 2.83 -0.17 5.54 -1.52 -0.58 -4.61 119.66 125.87 3df0 s GLN 86 Ca 0.58 -1.18 -0.16 0.00 -1.95 0.00 0.00 55.36 52.64 3df0 s GLN 86 Cb -0.13 -2.53 -0.05 0.00 -0.22 0.00 0.00 33.01 30.08 3df0 s GLN 86 CO 0.31 0.22 -0.31 0.34 -0.25 0.00 0.00 175.29 175.60 3df0 n PHE 87 N -1.30 0.11 -4.27 0.91 7.35 -1.26 -3.10 117.46 115.88 3df0 n PHE 87 Ca -0.04 0.05 -0.23 0.00 -0.76 0.00 0.00 57.45 56.46 3df0 n PHE 87 Cb 0.59 -0.51 -0.12 0.00 0.35 0.00 0.00 39.48 39.79 3df0 n PHE 87 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3df0 s ILE 88 N -2.74 1.65 -0.23 -2.13 -4.36 -1.26 -2.57 121.20 109.55 3df0 s ILE 88 Ca -0.26 -1.53 -0.11 0.00 -0.26 0.00 0.00 60.65 58.50 3df0 s ILE 88 Cb 0.04 -1.51 0.09 0.00 1.25 0.00 0.00 42.46 42.32 3df0 s ILE 88 CO 0.39 -0.08 0.54 -0.51 0.24 0.00 0.00 174.94 175.51 3df0 s ILE 89 N -1.19 -0.37 -0.77 8.37 -1.16 -1.26 -4.90 121.20 119.92 3df0 s ILE 89 Ca 0.06 0.06 -0.02 0.00 -0.51 0.00 0.00 60.65 60.24 3df0 s ILE 89 Cb -0.10 -0.81 0.00 0.00 0.61 0.00 0.00 42.46 42.16 3df0 s ILE 89 CO 0.04 0.03 0.66 0.61 -2.81 0.00 0.00 174.94 173.47 3df0 n GLY 90 N 4.79 -0.01 1.13 1.50 0.00 -1.26 -4.77 105.19 106.57 3df0 n GLY 90 Ca -0.17 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3df0 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df0 n GLY 91 N -1.23 -3.31 3.48 -0.02 0.00 -1.26 -4.45 105.19 98.40 3df0 n GLY 91 Ca -0.10 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 3df0 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df0 s ALA 92 N -4.17 3.26 0.57 4.61 0.00 -1.26 -4.98 121.76 119.79 3df0 s ALA 92 Ca 0.00 -2.70 0.06 0.00 0.00 0.00 0.00 51.96 49.32 3df0 s ALA 92 Cb 0.00 -4.17 0.06 0.00 0.00 0.00 0.00 23.12 19.01 3df0 s ALA 92 CO 0.00 -3.11 0.48 0.95 0.00 0.00 0.00 175.76 174.08 3df0 s THR 93 N 3.14 1.60 -1.07 0.00 -4.23 -1.26 -4.83 115.64 109.00 3df0 s THR 93 Ca 0.37 -1.41 0.21 0.00 -1.18 0.00 0.00 61.69 59.67 3df0 s THR 93 Cb -0.03 -2.02 0.21 0.00 1.34 0.00 0.00 72.50 71.99 3df0 s THR 93 CO -0.09 0.00 1.68 -2.11 -0.54 0.00 0.00 174.62 173.56 3df0 n ARG 94 N -1.89 0.05 0.00 3.99 1.85 -1.26 -2.62 116.66 116.77 3df0 n ARG 94 Ca 0.01 0.13 0.14 0.00 -1.00 0.00 0.00 57.85 57.13 3df0 n ARG 94 Cb 0.64 -1.50 0.59 0.00 -1.05 0.00 0.00 32.46 31.14 3df0 n ARG 94 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3df0 n THR 95 N -1.47 0.00 0.09 8.89 -2.24 -1.26 -3.66 114.28 114.63 3df0 n THR 95 Ca 0.06 -0.05 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 3df0 n THR 95 Cb 0.24 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 3df0 n THR 95 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3df0 h ASP 96 N 0.44 0.06 -3.55 3.42 3.32 -1.86 -3.18 116.42 115.06 3df0 h ASP 96 Ca 0.00 -0.05 -0.63 0.00 0.02 0.00 0.00 57.03 56.37 3df0 h ASP 96 Cb 0.38 -0.02 -0.13 0.00 0.22 0.00 0.00 39.33 39.78 3df0 h ASP 96 CO 0.00 0.91 0.22 -0.63 -1.72 0.00 0.00 179.24 178.02 3df0 s ILE 97 N -3.03 4.84 -0.07 0.35 1.09 -1.24 -3.20 121.20 119.92 3df0 s ILE 97 Ca -0.00 0.67 -0.03 0.00 -1.10 0.00 0.00 60.65 60.19 3df0 s ILE 97 Cb 0.11 -4.12 0.04 0.00 -1.06 0.00 0.00 42.46 37.43 3df0 s ILE 97 CO 0.81 -0.36 0.15 0.00 -0.10 0.00 0.00 174.94 175.44 3df0 n GLN 99 N 4.82 2.50 0.00 0.00 7.27 0.24 -1.71 117.38 130.50 3df0 n GLN 99 Ca -0.15 0.88 0.00 0.00 0.07 0.00 0.00 57.00 57.81 3df0 n GLN 99 Cb 0.51 -2.61 0.00 0.00 2.41 0.00 0.00 30.24 30.55 3df0 n GLN 99 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3df0 n GLY 100 N 1.73 1.72 0.33 1.69 0.00 -1.26 -4.67 105.19 104.73 3df0 n GLY 100 Ca 0.08 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.09 3df0 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df0 n ALA 101 N -3.00 1.85 -2.46 4.61 0.00 -0.34 -4.76 120.51 116.40 3df0 n ALA 101 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3df0 n ALA 101 Cb 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 3df0 n ALA 101 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3df0 s LEU 102 N -0.34 2.42 -0.67 0.00 2.96 -1.26 -5.05 118.68 116.74 3df0 s LEU 102 Ca 0.00 -0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 53.02 3df0 s LEU 102 Cb 0.00 -0.82 0.03 0.00 0.50 0.00 0.00 46.19 45.90 3df0 s LEU 102 CO 0.00 -0.03 2.77 0.61 -1.32 0.00 0.00 176.35 178.38 3df0 n GLY 103 N 0.39 4.42 2.19 7.98 0.00 -1.26 -4.46 105.19 114.44 3df0 n GLY 103 Ca -0.14 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 3df0 n GLY 103 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3df0 n ASP 104 N 1.37 6.33 -0.32 1.61 3.85 -1.26 0.82 116.55 128.96 3df0 n ASP 104 Ca 0.53 -3.77 0.03 0.00 -0.71 0.00 0.00 54.79 50.87 3df0 n ASP 104 Cb 0.50 -0.66 0.17 0.00 -1.35 0.00 0.00 41.12 39.78 3df0 n ASP 104 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 3df0 h SER 105 N 2.10 0.80 -0.34 -1.12 4.64 -1.89 -1.71 113.55 116.04 3df0 h SER 105 Ca 0.49 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.92 3df0 h SER 105 Cb 1.16 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 63.04 3df0 h SER 105 CO 1.18 0.47 -0.30 4.11 -0.87 0.00 0.00 176.83 181.43 3df0 h TRP 106 N 0.92 -0.81 -0.14 4.77 5.08 -1.85 0.54 115.95 124.45 3df0 h TRP 106 Ca 0.41 0.05 -0.04 0.00 1.08 0.00 0.00 58.89 60.40 3df0 h TRP 106 Cb 0.31 0.41 -0.00 0.00 -3.00 0.00 0.00 29.16 26.87 3df0 h TRP 106 CO -0.04 -0.36 -0.05 1.25 -1.28 0.00 0.00 178.44 177.96 3df0 h LEU 107 N -0.26 0.29 -0.68 0.11 5.85 -1.80 -2.60 115.31 116.22 3df0 h LEU 107 Ca 0.16 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3df0 h LEU 107 Cb 0.52 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3df0 h LEU 107 CO -0.48 0.62 0.41 -0.07 -0.34 0.00 0.00 178.44 178.58 3df0 h LEU 108 N -0.04 0.67 -0.89 2.25 4.07 -0.78 -0.53 115.31 120.07 3df0 h LEU 108 Ca 0.03 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.02 3df0 h LEU 108 Cb 0.50 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 3df0 h LEU 108 CO 0.02 0.45 0.58 0.00 -1.08 0.00 0.00 178.44 178.41 3df0 h ALA 109 N 1.31 1.15 -0.48 1.53 0.00 0.05 -1.36 119.26 121.46 3df0 h ALA 109 Ca 0.28 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3df0 h ALA 109 Cb 0.06 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 3df0 h ALA 109 CO -0.13 0.47 0.16 0.00 0.00 0.00 0.00 179.25 179.76 3df0 h ALA 110 N 1.35 0.58 -0.48 0.00 0.00 -0.75 -2.20 119.26 117.75 3df0 h ALA 110 Ca 0.34 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3df0 h ALA 110 Cb -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3df0 h ALA 110 CO -0.10 -0.24 0.25 0.82 0.00 0.00 0.00 179.25 179.99 3df0 h ILE 111 N 0.33 1.18 -0.86 0.00 2.04 -0.59 -1.45 117.51 118.15 3df0 h ILE 111 Ca 0.23 -0.48 0.05 0.00 1.00 0.00 0.00 64.86 65.66 3df0 h ILE 111 Cb 0.25 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 3df0 h ILE 111 CO -0.25 0.19 0.55 0.00 0.00 0.00 0.00 178.15 178.64 3df0 h ALA 112 N 1.09 1.17 0.00 1.87 0.00 -0.68 -0.56 119.26 122.15 3df0 h ALA 112 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3df0 h ALA 112 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3df0 h ALA 112 CO -0.02 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.22 3df0 h SER 113 N 1.03 0.00 -0.55 0.00 4.64 -1.31 -3.15 113.55 114.22 3df0 h SER 113 Ca 0.36 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.59 3df0 h SER 113 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3df0 h SER 113 CO -0.15 0.00 -0.00 0.25 -0.87 0.00 0.00 176.83 176.06 3df0 h LEU 114 N 0.00 0.97 0.00 5.97 5.85 0.02 -3.15 115.31 124.98 3df0 h LEU 114 Ca 0.00 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3df0 h LEU 114 Cb 0.79 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3df0 h LEU 114 CO 0.00 1.03 0.00 0.35 -0.34 0.00 0.00 178.44 179.48 3df0 n THR 115 N -4.18 0.00 0.10 1.05 -2.24 -1.10 -2.08 114.28 105.82 3df0 n THR 115 Ca 0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 3df0 n THR 115 Cb 0.34 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.90 3df0 n THR 115 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3df0 h LEU 116 N 0.00 0.47 -9.14 3.22 3.38 -1.71 -3.41 115.31 108.12 3df0 h LEU 116 Ca 0.00 -0.53 -0.58 0.00 0.09 0.00 0.00 57.88 56.85 3df0 h LEU 116 Cb 0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 3df0 h LEU 116 CO 0.00 1.42 0.32 0.21 0.09 0.00 0.00 178.44 180.48 3df0 s ASN 117 N -7.16 6.86 -0.03 -0.43 3.84 -0.88 -4.97 114.94 112.17 3df0 s ASN 117 Ca -0.06 1.06 -0.20 0.00 0.21 0.00 0.00 52.86 53.87 3df0 s ASN 117 Cb 0.07 -2.42 -0.12 0.00 -0.55 0.00 0.00 41.25 38.22 3df0 s ASN 117 CO 0.88 -0.37 0.84 -0.33 -2.79 0.00 0.00 177.10 175.33 3df0 h GLU 118 N 7.41 -0.50 0.00 0.43 5.08 -1.81 -3.29 114.58 121.90 3df0 h GLU 118 Ca -0.29 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3df0 h GLU 118 Cb 1.13 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3df0 h GLU 118 CO 0.82 -0.23 0.00 -0.85 -1.00 0.00 0.00 179.01 177.75 3df0 n GLU 119 N -5.14 0.89 -0.10 2.33 -0.00 -1.26 -1.59 120.64 115.77 3df0 n GLU 119 Ca -0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.16 56.96 3df0 n GLU 119 Cb 0.26 -1.26 -0.13 0.00 -0.00 0.00 0.00 31.44 30.30 3df0 n GLU 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3df0 n ILE 120 N -0.76 1.31 -0.35 3.84 2.08 -1.26 -4.26 119.36 119.96 3df0 n ILE 120 Ca 0.11 -0.69 0.09 0.00 0.56 0.00 0.00 62.75 62.82 3df0 n ILE 120 Cb 0.05 -0.82 0.28 0.00 -0.75 0.00 0.00 39.64 38.40 3df0 n ILE 120 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 3df0 h LEU 121 N 0.00 0.86 -0.50 1.39 5.85 -1.36 0.96 115.31 122.51 3df0 h LEU 121 Ca -0.52 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.31 3df0 h LEU 121 Cb 2.03 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.89 3df0 h LEU 121 CO -0.01 0.43 -0.29 0.00 -0.34 0.00 0.00 178.44 178.22 3df0 n ALA 122 N -2.36 -0.32 -0.12 1.25 0.00 -0.82 0.89 120.51 119.04 3df0 n ALA 122 Ca 0.20 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.96 3df0 n ALA 122 Cb 0.42 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 3df0 n ALA 122 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3df0 h ARG 123 N 0.00 -0.31 -0.19 0.00 2.43 -1.00 -2.19 114.38 113.11 3df0 h ARG 123 Ca 0.08 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3df0 h ARG 123 Cb 0.20 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3df0 h ARG 123 CO -0.47 -0.20 -0.02 0.28 -1.51 0.00 0.00 179.97 178.05 3df0 h VAL 124 N -0.32 1.27 -3.55 0.20 2.07 -1.36 -3.38 116.25 111.18 3df0 h VAL 124 Ca 0.14 -0.94 -0.70 0.00 0.82 0.00 0.00 66.70 66.01 3df0 h VAL 124 Cb 0.58 1.51 -0.29 0.00 -1.52 0.00 0.00 31.29 31.57 3df0 h VAL 124 CO -0.57 0.29 -0.54 -0.69 0.02 0.00 0.00 177.57 176.08 3df0 s VAL 125 N -4.86 3.93 -0.69 2.57 1.01 0.26 -2.01 120.40 120.59 3df0 s VAL 125 Ca -0.14 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.23 3df0 s VAL 125 Cb 0.06 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 3df0 s VAL 125 CO 0.73 -0.38 2.14 -2.84 0.00 0.00 0.00 175.10 174.76 3df0 s PRO 126 N 1.38 2.24 0.50 2.72 0.02 -1.23 -4.19 135.00 136.45 3df0 s PRO 126 Ca 0.01 0.57 0.34 0.00 0.02 0.00 0.00 61.00 61.94 3df0 s PRO 126 Cb -0.21 -4.69 1.62 0.00 0.02 0.00 0.00 34.50 31.24 3df0 s PRO 126 CO 0.02 -3.42 2.01 -0.07 -0.33 0.00 0.00 177.00 175.21 3df0 h LEU 127 N 18.98 0.00 -0.08 -5.54 3.38 -1.92 -3.18 115.31 126.95 3df0 h LEU 127 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3df0 h LEU 127 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3df0 h LEU 127 CO 1.15 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.78 3df0 n ASP 128 N -2.81 0.13 -4.75 -0.43 5.75 -1.26 -4.87 116.55 108.31 3df0 n ASP 128 Ca -0.01 -1.09 -0.33 0.00 -0.01 0.00 0.00 54.79 53.35 3df0 n ASP 128 Cb 0.17 -0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.33 3df0 n ASP 128 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3df0 s GLN 129 N -2.00 2.52 0.04 0.11 -0.21 -1.20 -5.04 119.66 113.87 3df0 s GLN 129 Ca 0.45 1.48 0.00 0.00 0.02 0.00 0.00 55.36 57.31 3df0 s GLN 129 Cb 0.21 -1.91 -0.00 0.00 1.00 0.00 0.00 33.01 32.31 3df0 s GLN 129 CO 0.35 -1.49 0.05 0.43 -2.12 0.00 0.00 175.29 172.51 3df0 n SER 130 N -2.63 -0.13 0.00 5.90 7.64 -1.26 -4.75 113.62 118.39 3df0 n SER 130 Ca 0.11 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.77 3df0 n SER 130 Cb 0.52 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 3df0 n SER 130 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3df0 n PHE 131 N -0.07 0.00 -0.04 1.43 3.01 -1.26 -4.84 117.46 115.69 3df0 n PHE 131 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.43 3df0 n PHE 131 Cb 0.06 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.46 3df0 n PHE 131 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3df0 n GLN 132 N -0.47 2.08 0.00 -1.08 3.00 -1.26 -4.80 117.38 114.86 3df0 n GLN 132 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3df0 n GLN 132 Cb 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.00 3df0 n GLN 132 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3df0 n GLU 133 N -2.29 1.87 -2.14 -1.09 -0.58 -1.26 -4.81 120.64 110.34 3df0 n GLU 133 Ca -0.14 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.29 3df0 n GLU 133 Cb 0.74 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.57 3df0 n GLU 133 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3df0 s ASN 134 N -1.34 5.40 0.27 1.62 -0.87 -1.26 -4.91 114.94 113.84 3df0 s ASN 134 Ca 0.00 -0.62 0.09 0.00 -1.57 0.00 0.00 52.86 50.76 3df0 s ASN 134 Cb 0.00 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.63 3df0 s ASN 134 CO 0.00 -2.47 0.04 -0.47 -2.57 0.00 0.00 177.10 171.63 3df0 s TYR 135 N 9.03 2.75 0.00 2.20 5.04 -1.26 -5.04 117.35 130.07 3df0 s TYR 135 Ca 0.65 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 3df0 s TYR 135 Cb -0.07 -1.27 0.00 0.00 0.35 0.00 0.00 41.96 40.97 3df0 s TYR 135 CO 0.02 0.58 0.00 0.00 -1.34 0.00 0.00 175.55 174.81 3df0 n ALA 136 N -0.96 0.27 0.00 3.97 0.00 -1.26 -4.97 120.51 117.55 3df0 n ALA 136 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3df0 n ALA 136 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3df0 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df0 n GLY 137 N -0.19 1.82 3.85 0.00 0.00 -1.26 -2.08 105.19 107.32 3df0 n GLY 137 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3df0 n GLY 137 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3df0 s ILE 138 N -1.34 4.51 0.24 -0.61 1.10 -1.26 -0.47 121.20 123.36 3df0 s ILE 138 Ca 0.00 1.09 -0.05 0.00 -0.51 0.00 0.00 60.65 61.18 3df0 s ILE 138 Cb 0.00 -3.72 -0.02 0.00 0.15 0.00 0.00 42.46 38.87 3df0 s ILE 138 CO 0.00 -0.79 0.31 -0.36 -2.11 0.00 0.00 174.94 171.99 3df0 s PHE 139 N -2.76 0.87 0.07 3.50 0.40 0.49 -4.89 117.98 115.67 3df0 s PHE 139 Ca 0.58 -1.13 -0.09 0.00 -0.60 0.00 0.00 56.93 55.69 3df0 s PHE 139 Cb -0.11 -0.22 0.00 0.00 0.51 0.00 0.00 43.02 43.20 3df0 s PHE 139 CO 0.38 -0.85 0.21 -3.38 0.70 0.00 0.00 175.22 172.28 3df0 s HIS 140 N -3.94 0.09 0.05 0.36 -3.43 -1.26 -2.33 115.29 104.83 3df0 s HIS 140 Ca 0.32 -0.44 -0.11 0.00 -0.80 0.00 0.00 55.06 54.03 3df0 s HIS 140 Cb 0.03 -0.03 0.01 0.00 -1.43 0.00 0.00 32.58 31.16 3df0 s HIS 140 CO 0.13 -0.51 0.24 -0.06 -2.00 0.00 0.00 174.74 172.53 3df0 s PHE 141 N -3.39 0.00 0.07 0.38 0.08 -0.78 -4.54 117.98 109.81 3df0 s PHE 141 Ca 0.01 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 56.91 3df0 s PHE 141 Cb 0.03 0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.46 3df0 s PHE 141 CO -0.08 -0.48 -0.18 -0.65 -0.10 0.00 0.00 175.22 173.73 3df0 s GLN 142 N -2.77 1.96 -0.00 0.44 -0.21 -0.85 -0.35 119.66 117.88 3df0 s GLN 142 Ca -0.03 -1.06 -0.01 0.00 0.02 0.00 0.00 55.36 54.27 3df0 s GLN 142 Cb -0.00 -2.16 -0.00 0.00 1.00 0.00 0.00 33.01 31.84 3df0 s GLN 142 CO -0.05 0.52 0.02 -0.06 -2.12 0.00 0.00 175.29 173.60 3df0 s PHE 143 N -1.02 0.06 -0.07 0.91 0.08 0.12 -4.32 117.98 113.75 3df0 s PHE 143 Ca 0.16 -0.11 -0.28 0.00 0.12 0.00 0.00 56.93 56.82 3df0 s PHE 143 Cb -0.11 -0.05 -0.02 0.00 -0.57 0.00 0.00 43.02 42.27 3df0 s PHE 143 CO 0.07 -0.08 0.92 -0.46 -0.10 0.00 0.00 175.22 175.57 3df0 s TRP 144 N -0.51 3.57 -0.30 0.36 -0.11 0.22 -0.11 118.94 122.07 3df0 s TRP 144 Ca -0.06 1.53 -0.02 0.00 1.22 0.00 0.00 56.10 58.77 3df0 s TRP 144 Cb -0.04 -3.07 0.10 0.00 -1.50 0.00 0.00 33.47 28.96 3df0 s TRP 144 CO -0.00 -0.09 0.11 -0.65 -4.62 0.00 0.00 176.95 171.70 3df0 s GLN 145 N 1.43 0.48 -0.95 5.86 -1.52 0.38 -4.32 119.66 121.02 3df0 s GLN 145 Ca 0.46 -0.82 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 3df0 s GLN 145 Cb -0.19 -1.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.97 3df0 s GLN 145 CO 0.21 -0.99 0.00 0.66 -0.25 0.00 0.00 175.29 174.92 3df0 n TYR 146 N 5.03 -1.27 0.00 0.91 0.53 -1.26 -2.40 117.16 118.70 3df0 n TYR 146 Ca -0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.84 3df0 n TYR 146 Cb 0.42 -2.44 0.00 0.00 -1.03 0.00 0.00 39.34 36.29 3df0 n TYR 146 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3df0 n GLY 147 N -0.63 1.66 3.48 2.72 0.00 -1.26 -4.98 105.19 106.18 3df0 n GLY 147 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 3df0 n GLY 147 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3df0 s GLU 148 N 0.00 1.71 0.02 1.61 1.03 -1.01 -5.13 118.70 116.94 3df0 s GLU 148 Ca 0.00 -1.66 -0.25 0.00 0.03 0.00 0.00 54.97 53.09 3df0 s GLU 148 Cb 0.00 -1.84 -0.05 0.00 -0.80 0.00 0.00 34.13 31.44 3df0 s GLU 148 CO 0.00 0.35 0.78 -1.58 -1.33 0.00 0.00 175.26 173.48 3df0 s TRP 149 N -2.26 3.70 -0.04 4.83 0.52 -1.26 -0.47 118.94 123.96 3df0 s TRP 149 Ca 0.28 1.46 0.00 0.00 0.02 0.00 0.00 56.10 57.86 3df0 s TRP 149 Cb -0.06 -2.85 0.02 0.00 -1.15 0.00 0.00 33.47 29.44 3df0 s TRP 149 CO 0.14 0.22 -0.02 0.08 0.02 0.00 0.00 176.95 177.39 3df0 s VAL 150 N 0.18 0.33 -0.19 4.03 1.01 0.84 -0.72 120.40 125.90 3df0 s VAL 150 Ca 0.40 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 3df0 s VAL 150 Cb -0.20 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3df0 s VAL 150 CO 0.23 0.19 0.10 -0.70 0.00 0.00 0.00 175.10 174.92 3df0 s GLU 151 N 1.11 4.05 -0.04 2.72 2.12 -0.65 0.16 118.70 128.17 3df0 s GLU 151 Ca -0.08 -0.27 0.06 0.00 0.36 0.00 0.00 54.97 55.04 3df0 s GLU 151 Cb -0.14 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 3df0 s GLU 151 CO -0.01 0.32 -0.23 0.08 -0.54 0.00 0.00 175.26 174.87 3df0 s VAL 152 N 0.28 1.88 -0.11 3.70 1.01 0.53 -1.66 120.40 126.02 3df0 s VAL 152 Ca 0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3df0 s VAL 152 Cb -0.12 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3df0 s VAL 152 CO -0.01 0.53 -0.06 0.68 0.00 0.00 0.00 175.10 176.24 3df0 s VAL 153 N -0.25 3.76 0.16 2.92 -7.23 -1.26 -1.86 120.40 116.65 3df0 s VAL 153 Ca 0.00 -0.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.79 3df0 s VAL 153 Cb -0.12 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 3df0 s VAL 153 CO 0.02 0.55 -0.08 0.68 -0.31 0.00 0.00 175.10 175.96 3df0 s VAL 154 N -0.24 1.15 0.30 1.32 -7.23 -0.99 -4.95 120.40 109.77 3df0 s VAL 154 Ca 0.04 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 3df0 s VAL 154 Cb -0.13 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 3df0 s VAL 154 CO 0.02 -0.67 0.56 1.51 -0.31 0.00 0.00 175.10 176.22 3df0 s ASP 155 N -3.20 6.42 0.00 4.85 -4.77 -1.26 -0.38 116.67 118.33 3df0 s ASP 155 Ca 0.19 0.68 0.24 0.00 -3.30 0.00 0.00 52.55 50.36 3df0 s ASP 155 Cb 0.03 -2.13 1.43 0.00 -1.09 0.00 0.00 42.92 41.16 3df0 s ASP 155 CO 0.02 -0.22 1.81 -0.90 0.70 0.00 0.00 175.17 176.59 3df0 n ASP 156 N -1.09 0.00 -4.72 2.11 3.85 0.38 -4.81 116.55 112.27 3df0 n ASP 156 Ca -0.02 -0.68 -0.42 0.00 -0.71 0.00 0.00 54.79 52.96 3df0 n ASP 156 Cb 0.54 -0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 40.25 3df0 n ASP 156 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3df0 s ARG 157 N -2.06 4.44 0.07 0.11 0.52 -1.26 -4.32 118.95 116.45 3df0 s ARG 157 Ca 0.35 1.85 0.05 0.00 -0.52 0.00 0.00 55.73 57.46 3df0 s ARG 157 Cb 0.17 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 3df0 s ARG 157 CO 0.29 -0.22 -0.13 -0.51 0.02 0.00 0.00 175.30 174.75 3df0 s LEU 158 N 0.58 2.29 -0.25 2.53 1.43 -1.06 -4.89 118.68 119.30 3df0 s LEU 158 Ca 0.57 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 3df0 s LEU 158 Cb -0.32 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 3df0 s LEU 158 CO 0.32 -0.10 1.83 -2.16 0.23 0.00 0.00 176.35 176.47 3df0 s PRO 159 N -1.81 3.49 0.04 1.29 0.04 -1.26 -1.83 135.00 134.96 3df0 s PRO 159 Ca -0.02 1.67 0.06 0.00 0.04 0.00 0.00 61.00 62.75 3df0 s PRO 159 Cb -0.09 -4.18 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 3df0 s PRO 159 CO 0.02 -1.67 -0.16 0.95 0.04 0.00 0.00 177.00 176.17 3df0 s THR 160 N 6.47 1.28 0.01 1.26 -4.23 0.42 -3.11 115.64 117.75 3df0 s THR 160 Ca 0.81 -1.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.32 3df0 s THR 160 Cb -0.26 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.42 3df0 s THR 160 CO 0.33 0.07 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.56 3df0 s LYS 161 N -1.15 1.24 2.49 3.99 2.20 -1.20 -0.96 119.74 126.35 3df0 s LYS 161 Ca 0.03 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 3df0 s LYS 161 Cb -0.08 -1.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.99 3df0 s LYS 161 CO 0.01 0.33 0.00 -0.25 -0.36 0.00 0.00 175.35 175.08 3df0 n ASP 162 N 2.31 -0.34 0.00 1.43 10.43 -1.26 -3.68 116.55 125.44 3df0 n ASP 162 Ca -0.16 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.20 3df0 n ASP 162 Cb 0.54 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.50 3df0 n ASP 162 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3df0 n GLY 163 N 0.00 -2.68 3.63 0.44 0.00 -1.26 -4.93 105.19 100.40 3df0 n GLY 163 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3df0 n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df0 s GLU 164 N -2.48 -0.46 0.63 1.61 2.02 -1.24 -5.02 118.70 113.76 3df0 s GLU 164 Ca 0.00 0.23 -0.13 0.00 0.02 0.00 0.00 54.97 55.09 3df0 s GLU 164 Cb 0.00 -1.66 -0.02 0.00 0.10 0.00 0.00 34.13 32.55 3df0 s GLU 164 CO 0.00 -3.27 1.04 -0.51 0.02 0.00 0.00 175.26 172.54 3df0 s LEU 165 N -6.73 3.31 -0.16 1.80 1.43 -1.26 -3.25 118.68 113.82 3df0 s LEU 165 Ca 0.68 1.62 -0.10 0.00 -1.03 0.00 0.00 54.13 55.30 3df0 s LEU 165 Cb -0.15 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 41.50 3df0 s LEU 165 CO 0.57 -1.15 -0.24 -0.11 0.23 0.00 0.00 176.35 175.65 3df0 n LEU 166 N -2.57 1.44 -4.62 1.79 7.94 -1.18 -4.82 117.00 114.98 3df0 n LEU 166 Ca 0.07 0.24 -0.37 0.00 -1.11 0.00 0.00 56.01 54.85 3df0 n LEU 166 Cb 0.53 -0.57 -0.10 0.00 0.53 0.00 0.00 43.42 43.81 3df0 n LEU 166 CO 0.53 0.12 -0.19 -0.36 -1.11 0.00 0.00 177.39 176.37 3df0 s PHE 167 N -2.43 3.26 0.19 1.96 0.08 -1.26 -1.20 117.98 118.58 3df0 s PHE 167 Ca -0.24 0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.93 3df0 s PHE 167 Cb 0.08 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 3df0 s PHE 167 CO 0.32 -0.02 0.00 1.55 -0.10 0.00 0.00 175.22 176.97 3df0 n VAL 168 N 4.44 -0.84 -3.59 -0.44 3.14 -1.26 -4.80 118.33 114.98 3df0 n VAL 168 Ca -0.15 0.44 -0.06 0.00 -2.96 0.00 0.00 64.34 61.61 3df0 n VAL 168 Cb 0.52 -0.73 -0.03 0.00 -1.06 0.00 0.00 33.84 32.54 3df0 n VAL 168 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 3df0 s HIS 169 N -4.50 -0.20 0.79 1.45 -3.43 -0.69 -4.76 115.29 103.95 3df0 s HIS 169 Ca 0.00 0.24 -0.10 0.00 -0.80 0.00 0.00 55.06 54.39 3df0 s HIS 169 Cb 0.00 0.50 0.09 0.00 -1.43 0.00 0.00 32.58 31.73 3df0 s HIS 169 CO 0.00 -0.24 1.14 0.45 -2.00 0.00 0.00 174.74 174.08 3df0 s SER 170 N -1.67 4.44 0.13 7.38 0.15 -1.20 -2.52 113.70 120.42 3df0 s SER 170 Ca 0.06 0.57 -0.19 0.00 0.70 0.00 0.00 55.95 57.10 3df0 s SER 170 Cb -0.01 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 3df0 s SER 170 CO -0.04 -1.90 1.78 0.00 1.20 0.00 0.00 173.24 174.28 3df0 h ALA 171 N -0.96 0.32 -0.23 5.45 0.00 -1.61 -3.33 119.26 118.91 3df0 h ALA 171 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3df0 h ALA 171 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3df0 h ALA 171 CO 0.60 -0.23 0.00 -1.91 0.00 0.00 0.00 179.25 177.71 3df0 n GLU 172 N -4.94 1.94 -0.92 0.00 2.13 -1.26 -5.00 120.64 112.59 3df0 n GLU 172 Ca -0.02 -1.85 0.00 0.00 0.66 0.00 0.00 57.16 55.95 3df0 n GLU 172 Cb 0.04 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.39 3df0 n GLU 172 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3df0 n GLY 173 N 1.00 0.68 0.35 8.31 0.00 -1.25 -4.66 105.19 109.62 3df0 n GLY 173 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.18 3df0 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3df0 n SER 174 N -0.06 0.62 -4.83 1.61 3.41 -1.26 -4.97 113.62 108.13 3df0 n SER 174 Ca 0.00 -2.21 -0.37 0.00 -0.26 0.00 0.00 58.87 56.04 3df0 n SER 174 Cb 0.03 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 3df0 n SER 174 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3df0 s GLU 175 N -0.73 3.71 0.00 4.33 2.12 -1.26 -1.52 118.70 125.34 3df0 s GLU 175 Ca 0.08 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.33 3df0 s GLU 175 Cb 0.07 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3df0 s GLU 175 CO 0.01 0.63 0.00 1.19 -0.54 0.00 0.00 175.26 176.55 3df0 n PHE 176 N 2.41 0.00 -0.00 5.30 3.72 -1.18 -4.31 117.46 123.39 3df0 n PHE 176 Ca -0.18 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.12 3df0 n PHE 176 Cb 0.54 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.05 3df0 n PHE 176 CO 0.00 0.00 0.00 0.11 -0.05 0.00 0.00 176.76 176.82 3df0 h TRP 177 N 0.00 -0.75 -0.30 1.38 5.08 -1.76 -1.81 115.95 117.79 3df0 h TRP 177 Ca 0.00 0.03 0.03 0.00 1.08 0.00 0.00 58.89 60.03 3df0 h TRP 177 Cb 0.00 0.35 -0.02 0.00 -3.00 0.00 0.00 29.16 26.50 3df0 h TRP 177 CO 0.00 -0.36 0.20 0.66 -1.28 0.00 0.00 178.44 177.67 3df0 h SER 178 N -0.34 0.26 0.23 0.11 4.64 -1.89 -0.87 113.55 115.69 3df0 h SER 178 Ca 0.10 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.26 3df0 h SER 178 Cb 0.50 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3df0 h SER 178 CO -0.34 0.18 -0.60 0.00 -0.87 0.00 0.00 176.83 175.20 3df0 h ALA 179 N 1.83 0.76 -0.12 5.18 0.00 -1.65 -2.37 119.26 122.88 3df0 h ALA 179 Ca 0.12 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 3df0 h ALA 179 Cb 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3df0 h ALA 179 CO -0.03 0.72 -0.78 -0.07 0.00 0.00 0.00 179.25 179.09 3df0 h LEU 180 N 0.28 0.81 -0.47 0.00 3.38 -0.75 -2.38 115.31 116.18 3df0 h LEU 180 Ca -0.01 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.48 3df0 h LEU 180 Cb 1.13 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3df0 h LEU 180 CO 0.10 1.32 0.21 0.25 0.09 0.00 0.00 178.44 180.42 3df0 h LEU 181 N 0.46 0.29 -0.47 1.67 5.85 -1.27 0.34 115.31 122.17 3df0 h LEU 181 Ca -0.05 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.77 3df0 h LEU 181 Cb 1.39 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 3df0 h LEU 181 CO 0.15 0.20 0.14 -0.08 -0.34 0.00 0.00 178.44 178.52 3df0 h GLU 182 N 0.43 0.29 -0.49 1.25 4.81 -1.32 0.29 114.58 119.84 3df0 h GLU 182 Ca 0.21 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3df0 h GLU 182 Cb 0.15 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3df0 h GLU 182 CO -0.17 0.19 0.13 -0.22 -0.73 0.00 0.00 179.01 178.21 3df0 h LYS 183 N 0.30 0.74 -0.24 1.92 3.64 -0.74 -0.68 116.57 121.51 3df0 h LYS 183 Ca 0.23 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3df0 h LYS 183 Cb 0.26 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3df0 h LYS 183 CO -0.25 0.66 -0.15 0.00 -2.27 0.00 0.00 179.45 177.44 3df0 h ALA 184 N 1.43 1.31 0.00 5.00 0.00 0.71 -1.20 119.26 126.50 3df0 h ALA 184 Ca 0.16 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 3df0 h ALA 184 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3df0 h ALA 184 CO -0.00 0.46 -0.69 -0.92 0.00 0.00 0.00 179.25 178.10 3df0 h TYR 185 N 0.37 0.00 -0.34 0.00 3.20 0.11 -3.09 116.97 117.22 3df0 h TYR 185 Ca 0.07 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 3df0 h TYR 185 Cb 0.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3df0 h TYR 185 CO 0.01 0.69 -0.39 0.00 -1.64 0.00 0.00 178.16 176.83 3df0 h ALA 186 N 1.31 0.65 -0.59 1.82 0.00 -0.94 -3.13 119.26 118.38 3df0 h ALA 186 Ca -0.01 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.49 3df0 h ALA 186 Cb 1.49 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 3df0 h ALA 186 CO 0.09 0.67 0.35 -0.22 0.00 0.00 0.00 179.25 180.14 3df0 h LYS 187 N 0.68 0.65 0.00 0.00 3.64 -1.19 0.23 116.57 120.58 3df0 h LYS 187 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3df0 h LYS 187 Cb 0.96 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3df0 h LYS 187 CO 0.09 0.43 0.00 0.97 -2.27 0.00 0.00 179.45 178.67 3df0 h ILE 188 N 0.67 0.00 -0.34 2.00 -0.00 -1.61 -2.91 117.51 115.33 3df0 h ILE 188 Ca 0.25 -0.32 0.00 0.00 -0.00 0.00 0.00 64.86 64.78 3df0 h ILE 188 Cb 0.07 1.27 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 3df0 h ILE 188 CO -0.13 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 178.61 3df0 n ASN 189 N -2.95 3.36 0.00 2.19 3.02 0.56 -4.94 115.26 116.50 3df0 n ASN 189 Ca -0.00 -2.37 0.00 0.00 -0.03 0.00 0.00 54.58 52.18 3df0 n ASN 189 Cb 0.22 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3df0 n ASN 189 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3df0 n GLY 190 N 0.21 2.09 3.62 7.41 0.00 0.21 -4.39 105.19 114.34 3df0 n GLY 190 Ca 0.16 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 3df0 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df0 h TYR 192 N 2.00 -1.06 -0.89 0.00 -1.99 -1.64 -3.02 116.97 110.37 3df0 h TYR 192 Ca -0.26 0.01 0.26 0.00 2.00 0.00 0.00 58.73 60.74 3df0 h TYR 192 Cb 1.20 0.42 -0.04 0.00 2.00 0.00 0.00 36.73 40.31 3df0 h TYR 192 CO 0.32 -0.50 0.71 1.49 -0.00 0.00 0.00 178.16 180.18 3df0 h GLU 193 N -0.73 0.00 0.00 4.88 4.81 -0.17 0.19 114.58 123.57 3df0 h GLU 193 Ca -0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3df0 h GLU 193 Cb 0.64 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 3df0 h GLU 193 CO -0.07 0.00 -0.10 0.00 -0.73 0.00 0.00 179.01 178.11 3df0 h ALA 194 N 1.41 1.13 0.00 2.92 0.00 -1.76 -2.01 119.26 120.96 3df0 h ALA 194 Ca 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3df0 h ALA 194 Cb 1.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3df0 h ALA 194 CO -0.00 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.65 3df0 n LEU 195 N -3.40 0.00 -4.56 0.00 4.77 0.68 -4.75 117.00 109.75 3df0 n LEU 195 Ca -0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 3df0 n LEU 195 Cb 0.27 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3df0 n LEU 195 CO 0.29 0.00 1.51 -0.55 -1.33 0.00 0.00 177.39 177.31 3df0 s SER 196 N -1.64 5.51 0.21 -1.43 0.15 -0.76 -4.11 113.70 111.63 3df0 s SER 196 Ca 0.18 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.11 3df0 s SER 196 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 3df0 s SER 196 CO 0.14 -2.20 0.00 0.61 1.20 0.00 0.00 173.24 172.99 3df0 n GLY 197 N 5.60 -3.30 0.00 9.45 0.00 0.24 -4.99 105.19 112.19 3df0 n GLY 197 Ca 0.17 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3df0 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df0 n GLY 198 N -1.79 -0.64 3.89 -0.02 0.00 -1.26 -5.04 105.19 100.33 3df0 n GLY 198 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 3df0 n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df0 s ALA 199 N -1.00 3.92 0.30 4.61 0.00 -1.26 -4.75 121.76 123.58 3df0 s ALA 199 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3df0 s ALA 199 Cb 0.00 -1.78 0.46 0.00 0.00 0.00 0.00 23.12 21.80 3df0 s ALA 199 CO 0.00 0.79 1.97 1.15 0.00 0.00 0.00 175.76 179.67 3df0 h THR 200 N 2.42 1.21 0.00 0.00 2.02 -1.95 -2.64 112.91 113.97 3df0 h THR 200 Ca -0.47 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 3df0 h THR 200 Cb 1.17 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3df0 h THR 200 CO 0.72 0.20 -0.01 0.71 0.37 0.00 0.00 175.52 177.52 3df0 h THR 201 N 1.08 0.45 -0.30 3.16 1.35 -1.95 0.10 112.91 116.80 3df0 h THR 201 Ca 0.29 -0.03 0.04 0.00 -0.55 0.00 0.00 66.41 66.16 3df0 h THR 201 Cb -0.11 1.02 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 3df0 h THR 201 CO -0.06 0.01 0.09 -0.33 -0.25 0.00 0.00 175.52 174.97 3df0 h GLU 202 N 0.00 0.20 0.40 4.72 5.08 -1.86 -1.50 114.58 121.62 3df0 h GLU 202 Ca -0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3df0 h GLU 202 Cb 0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3df0 h GLU 202 CO 0.00 0.13 -0.19 0.78 -1.00 0.00 0.00 179.01 178.73 3df0 h GLY 203 N 0.21 -0.56 -0.28 -3.84 0.00 -0.98 -2.85 103.07 94.76 3df0 h GLY 203 Ca 0.13 0.21 0.14 0.00 0.00 0.00 0.00 47.33 47.81 3df0 h GLY 203 CO -0.15 -0.20 -0.08 0.74 0.00 0.00 0.00 176.54 176.85 3df0 h PHE 204 N -0.67 -0.19 -0.02 5.60 0.04 -0.88 -2.08 116.94 118.74 3df0 h PHE 204 Ca -0.05 0.06 -0.20 0.00 2.80 0.00 0.00 57.97 60.57 3df0 h PHE 204 Cb 0.48 0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 3df0 h PHE 204 CO -0.02 -0.25 -0.86 0.93 -0.60 0.00 0.00 178.31 177.52 3df0 h GLU 205 N 0.05 0.34 0.00 1.51 5.08 -1.34 -1.37 114.58 118.86 3df0 h GLU 205 Ca 0.35 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3df0 h GLU 205 Cb 0.57 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3df0 h GLU 205 CO -0.65 1.02 0.00 -0.25 -1.00 0.00 0.00 179.01 178.13 3df0 n ASP 206 N -3.75 0.48 -0.00 1.42 9.92 -0.84 0.67 116.55 124.45 3df0 n ASP 206 Ca -0.05 0.66 0.09 0.00 -0.53 0.00 0.00 54.79 54.96 3df0 n ASP 206 Cb 0.79 -0.75 -0.12 0.00 -0.64 0.00 0.00 41.12 40.40 3df0 n ASP 206 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3df0 n PHE 207 N -2.08 0.00 0.00 1.24 3.72 -0.59 0.73 117.46 120.47 3df0 n PHE 207 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3df0 n PHE 207 Cb 0.12 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 3df0 n PHE 207 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3df0 n THR 208 N -1.77 0.00 -1.73 4.37 -2.24 -0.74 -4.82 114.28 107.35 3df0 n THR 208 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3df0 n THR 208 Cb 0.37 -0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 3df0 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df0 n GLY 209 N 2.00 0.44 3.99 3.38 0.00 0.21 -5.02 105.19 110.20 3df0 n GLY 209 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 3df0 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3df0 s GLY 210 N -2.79 1.77 -0.38 -0.02 0.00 -1.26 -5.01 107.32 99.62 3df0 s GLY 210 Ca 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 44.72 42.90 3df0 s GLY 210 CO 0.00 -1.20 0.20 -0.42 0.00 0.00 0.00 173.10 171.68 3df0 s ILE 211 N -3.04 4.40 -0.56 0.90 -1.09 0.49 -4.82 121.20 117.47 3df0 s ILE 211 Ca 0.65 -1.00 -0.25 0.00 -2.23 0.00 0.00 60.65 57.82 3df0 s ILE 211 Cb -0.06 -3.50 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 3df0 s ILE 211 CO 0.43 -0.28 0.97 0.00 -1.23 0.00 0.00 174.94 174.84 3df0 s ALA 212 N 1.51 3.14 -0.03 9.38 0.00 -1.26 -2.18 121.76 132.31 3df0 s ALA 212 Ca 0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 3df0 s ALA 212 Cb -0.20 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.09 3df0 s ALA 212 CO 0.05 -2.43 0.36 -1.21 0.00 0.00 0.00 175.76 172.54 3df0 s GLU 213 N 4.08 3.88 0.32 0.00 2.02 0.09 -4.88 118.70 124.21 3df0 s GLU 213 Ca 0.32 0.31 0.10 0.00 0.02 0.00 0.00 54.97 55.71 3df0 s GLU 213 Cb -0.12 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3df0 s GLU 213 CO 0.20 0.65 -0.05 -1.58 0.02 0.00 0.00 175.26 174.50 3df0 s TRP 214 N -0.90 2.49 -0.20 1.61 0.52 -1.26 -1.22 118.94 119.99 3df0 s TRP 214 Ca 0.22 -0.41 -0.07 0.00 0.02 0.00 0.00 56.10 55.86 3df0 s TRP 214 Cb -0.16 -1.35 0.09 0.00 -1.15 0.00 0.00 33.47 30.90 3df0 s TRP 214 CO 0.11 0.56 0.41 0.71 0.02 0.00 0.00 176.95 178.76 3df0 s TYR 215 N -2.52 -0.78 -0.02 -1.98 2.02 -0.93 -5.01 117.35 108.13 3df0 s TYR 215 Ca 0.33 1.49 -0.30 0.00 -0.37 0.00 0.00 57.07 58.22 3df0 s TYR 215 Cb -0.01 0.28 -0.06 0.00 -0.40 0.00 0.00 41.96 41.78 3df0 s TYR 215 CO 0.18 -0.48 1.50 -1.21 -1.57 0.00 0.00 175.55 173.98 3df0 s GLU 216 N 2.60 4.23 -0.00 -0.62 2.02 -1.26 -1.95 118.70 123.73 3df0 s GLU 216 Ca -0.01 2.07 0.01 0.00 0.02 0.00 0.00 54.97 57.06 3df0 s GLU 216 Cb -0.12 -3.71 0.04 0.00 0.10 0.00 0.00 34.13 30.44 3df0 s GLU 216 CO -0.13 -0.69 0.97 1.28 0.02 0.00 0.00 175.26 176.72 3df0 n LEU 217 N 6.01 0.38 0.00 1.80 4.77 -0.45 -1.76 117.00 127.75 3df0 n LEU 217 Ca 0.15 -0.19 -0.05 0.00 -0.03 0.00 0.00 56.01 55.89 3df0 n LEU 217 Cb 0.43 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 3df0 n LEU 217 CO 0.60 0.09 -0.41 0.54 -1.33 0.00 0.00 177.39 176.88 3df0 n ARG 218 N -0.32 0.63 -2.95 3.23 1.74 -1.26 -4.68 116.66 113.04 3df0 n ARG 218 Ca 0.02 0.27 -0.23 0.00 -0.77 0.00 0.00 57.85 57.13 3df0 n ARG 218 Cb 0.07 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 29.68 3df0 n ARG 218 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3df0 n LYS 219 N -2.98 2.46 -1.52 5.56 5.02 -0.72 -5.10 118.16 120.87 3df0 n LYS 219 Ca -0.13 -4.29 -0.36 0.00 -2.02 0.00 0.00 58.31 51.51 3df0 n LYS 219 Cb 0.96 -2.02 0.09 0.00 -0.02 0.00 0.00 35.03 34.03 3df0 n LYS 219 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3df0 s PRO 220 N -3.15 2.23 0.67 1.97 0.04 -1.24 -4.81 135.00 130.71 3df0 s PRO 220 Ca 0.45 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 63.36 3df0 s PRO 220 Cb 0.32 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 33.06 3df0 s PRO 220 CO -0.12 -1.82 1.04 -1.25 0.04 0.00 0.00 177.00 174.89 3df0 s PRO 221 N -3.64 2.85 0.01 0.56 0.04 -1.26 -5.02 135.00 128.54 3df0 s PRO 221 Ca 0.80 0.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 3df0 s PRO 221 Cb -0.35 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 3df0 s PRO 221 CO 0.43 -0.94 1.06 -1.35 0.04 0.00 0.00 177.00 176.25 3df0 h PRO 222 N -0.51 -0.08 -1.61 0.56 0.11 -2.06 -2.93 132.00 125.48 3df0 h PRO 222 Ca -0.45 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.50 3df0 h PRO 222 Cb 1.26 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 3df0 h PRO 222 CO 0.63 -0.05 0.21 0.27 -0.21 0.00 0.00 178.00 178.85 3df0 n ASN 223 N -2.84 5.45 -0.12 -2.05 0.23 -1.26 -4.43 115.26 110.24 3df0 n ASN 223 Ca -0.01 -2.70 -0.05 0.00 -0.53 0.00 0.00 54.58 51.29 3df0 n ASN 223 Cb 0.05 -1.00 0.01 0.00 -2.08 0.00 0.00 39.78 36.76 3df0 n ASN 223 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3df0 h LEU 224 N 2.42 -0.45 -0.91 -4.53 5.85 -1.92 1.36 115.31 117.14 3df0 h LEU 224 Ca 0.16 0.13 0.02 0.00 0.84 0.00 0.00 57.88 59.03 3df0 h LEU 224 Cb 1.05 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 3df0 h LEU 224 CO 0.39 -0.16 0.60 0.15 -0.34 0.00 0.00 178.44 179.07 3df0 h PHE 225 N -0.04 1.12 0.00 1.25 3.57 -1.87 0.13 116.94 121.10 3df0 h PHE 225 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3df0 h PHE 225 Cb 0.33 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3df0 h PHE 225 CO -0.38 0.68 0.00 0.87 -2.23 0.00 0.00 178.31 177.26 3df0 h LYS 226 N 1.19 0.00 0.18 1.11 1.57 -1.21 -2.89 116.57 116.52 3df0 h LYS 226 Ca 0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 3df0 h LYS 226 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3df0 h LYS 226 CO -0.09 0.00 -0.09 0.82 -0.57 0.00 0.00 179.45 179.52 3df0 h ILE 227 N 0.00 0.86 -0.98 1.86 2.04 0.43 -1.92 117.51 119.80 3df0 h ILE 227 Ca 0.00 -1.03 0.18 0.00 1.00 0.00 0.00 64.86 65.01 3df0 h ILE 227 Cb 0.61 1.39 -0.17 0.00 -0.74 0.00 0.00 36.82 37.91 3df0 h ILE 227 CO 0.00 0.21 -0.31 0.40 0.00 0.00 0.00 178.15 178.45 3df0 h ILE 228 N -0.82 0.02 -0.21 -0.67 1.08 -1.14 0.48 117.51 116.24 3df0 h ILE 228 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 3df0 h ILE 228 Cb 0.52 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 3df0 h ILE 228 CO 0.04 0.00 0.09 1.56 -0.69 0.00 0.00 178.15 179.15 3df0 h GLN 229 N -0.01 0.32 0.21 2.37 4.20 -1.53 0.68 115.11 121.36 3df0 h GLN 229 Ca 0.41 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.08 3df0 h GLN 229 Cb 0.66 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 3df0 h GLN 229 CO -0.99 0.38 -0.33 -0.22 -0.67 0.00 0.00 178.83 176.99 3df0 h LYS 230 N 0.19 -0.60 0.02 1.46 1.63 -0.34 -0.25 116.57 118.69 3df0 h LYS 230 Ca 0.07 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 3df0 h LYS 230 Cb 0.18 0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.89 3df0 h LYS 230 CO -0.01 -0.40 -0.49 0.00 -3.45 0.00 0.00 179.45 175.10 3df0 h ALA 231 N -0.05 -0.85 -0.46 5.00 0.00 0.09 0.75 119.26 123.74 3df0 h ALA 231 Ca 0.01 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3df0 h ALA 231 Cb 0.61 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3df0 h ALA 231 CO -0.14 -1.06 -0.02 -0.07 0.00 0.00 0.00 179.25 177.97 3df0 h LEU 232 N -0.66 -0.23 -0.11 0.00 3.38 -0.80 -0.71 115.31 116.19 3df0 h LEU 232 Ca 0.02 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3df0 h LEU 232 Cb 0.71 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3df0 h LEU 232 CO -0.33 -0.08 -0.10 -0.33 0.09 0.00 0.00 178.44 177.69 3df0 h GLU 233 N 0.09 -0.12 0.00 1.13 5.08 -0.09 -1.78 114.58 118.89 3df0 h GLU 233 Ca 0.23 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3df0 h GLU 233 Cb 0.34 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3df0 h GLU 233 CO -0.40 -0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.16 3df0 n LYS 234 N -5.24 0.13 -3.46 2.33 5.02 0.25 -4.79 118.16 112.40 3df0 n LYS 234 Ca -0.04 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.02 3df0 n LYS 234 Cb 0.16 -1.36 0.07 0.00 -0.02 0.00 0.00 35.03 33.88 3df0 n LYS 234 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df0 n GLY 235 N -0.63 -0.51 3.11 0.72 0.00 -0.67 -4.85 105.19 102.36 3df0 n GLY 235 Ca 0.02 0.21 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 3df0 n GLY 235 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3df0 n SER 236 N -2.80 0.66 -4.37 1.61 7.64 -0.67 -4.73 113.62 110.97 3df0 n SER 236 Ca -0.01 -1.69 -0.31 0.00 1.01 0.00 0.00 58.87 57.86 3df0 n SER 236 Cb 0.57 -0.64 -0.15 0.00 -1.01 0.00 0.00 64.21 62.98 3df0 n SER 236 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3df0 s LEU 237 N 0.00 2.28 0.00 -3.43 1.43 0.34 -4.75 118.68 114.56 3df0 s LEU 237 Ca 0.56 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3df0 s LEU 237 Cb -0.02 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 3df0 s LEU 237 CO 0.38 0.31 -0.06 -0.76 0.23 0.00 0.00 176.35 176.45 3df0 s LEU 238 N -0.83 2.06 -0.01 1.79 1.02 -1.26 0.14 118.68 121.59 3df0 s LEU 238 Ca 0.11 -0.19 -0.29 0.00 0.02 0.00 0.00 54.13 53.79 3df0 s LEU 238 Cb -0.10 -0.27 0.10 0.00 0.02 0.00 0.00 46.19 45.94 3df0 s LEU 238 CO 0.00 0.02 0.87 -0.83 0.02 0.00 0.00 176.35 176.43 3df0 s GLY 239 N -0.40 -0.46 0.23 -3.19 0.00 -0.71 -2.17 107.32 100.61 3df0 s GLY 239 Ca -0.00 1.10 -0.09 0.00 0.00 0.00 0.00 44.72 45.73 3df0 s GLY 239 CO -0.00 0.43 0.36 0.00 0.00 0.00 0.00 173.10 173.89 3df0 s SER 241 N -3.06 -0.40 -0.12 0.00 1.04 -0.65 -1.21 113.70 109.31 3df0 s SER 241 Ca 0.27 0.72 -0.26 0.00 0.48 0.00 0.00 55.95 57.17 3df0 s SER 241 Cb 0.02 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.84 3df0 s SER 241 CO 0.09 -0.16 0.83 -0.63 0.98 0.00 0.00 173.24 174.35 3df0 s ILE 242 N 0.01 4.92 0.95 -1.02 1.09 -1.26 -0.56 121.20 125.32 3df0 s ILE 242 Ca 0.03 1.66 -0.15 0.00 -1.10 0.00 0.00 60.65 61.10 3df0 s ILE 242 Cb -0.04 -4.15 0.20 0.00 -1.06 0.00 0.00 42.46 37.41 3df0 s ILE 242 CO -0.06 0.10 1.30 -1.81 -0.10 0.00 0.00 174.94 174.37 3df0 s ASP 243 N 1.04 3.14 0.06 3.58 1.01 -1.26 -0.57 116.67 123.67 3df0 s ASP 243 Ca 0.40 0.15 0.08 0.00 0.71 0.00 0.00 52.55 53.90 3df0 s ASP 243 Cb -0.18 -0.19 -0.03 0.00 1.01 0.00 0.00 42.92 43.53 3df0 s ASP 243 CO 0.16 -2.71 -0.22 -0.51 0.21 0.00 0.00 175.17 172.11 3df0 s ILE 244 N -3.84 1.77 -0.07 0.77 -1.16 -1.26 -4.46 121.20 112.95 3df0 s ILE 244 Ca 0.74 -1.31 0.04 0.00 -0.51 0.00 0.00 60.65 59.61 3df0 s ILE 244 Cb -0.03 -1.54 -0.02 0.00 0.61 0.00 0.00 42.46 41.47 3df0 s ILE 244 CO 0.52 0.18 -0.18 -0.89 -2.81 0.00 0.00 174.94 171.76 3df0 s THR 245 N -0.87 2.68 0.13 4.00 2.01 -1.26 -5.09 115.64 117.22 3df0 s THR 245 Ca 0.08 -0.84 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 3df0 s THR 245 Cb -0.09 -2.04 -0.14 0.00 0.01 0.00 0.00 72.50 70.24 3df0 s THR 245 CO 0.02 0.57 0.49 -0.24 -0.69 0.00 0.00 174.62 174.77 3df0 n SER 246 N 2.88 -0.79 -0.94 3.53 2.88 -1.26 -5.04 113.62 114.88 3df0 n SER 246 Ca -0.17 0.89 0.12 0.00 -1.33 0.00 0.00 58.87 58.37 3df0 n SER 246 Cb 0.52 -0.74 -0.04 0.00 -0.75 0.00 0.00 64.21 63.20 3df0 n SER 246 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df0 n ALA 247 N 0.23 -2.46 -1.65 -1.46 0.00 -1.26 -5.19 120.51 108.72 3df0 n ALA 247 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3df0 n ALA 247 Cb 0.17 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3df0 n ALA 247 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3df0 n SER 250 N -3.68 0.00 -4.79 0.00 2.88 -1.26 -5.11 113.62 101.66 3df0 n SER 250 Ca -0.03 -1.00 -0.23 0.00 -1.33 0.00 0.00 58.87 56.29 3df0 n SER 250 Cb 0.44 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.85 3df0 n SER 250 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3df0 s GLU 251 N 0.00 2.82 0.00 -1.46 0.41 -1.26 -5.10 118.70 114.11 3df0 s GLU 251 Ca 0.00 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 3df0 s GLU 251 Cb 0.00 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.84 3df0 s GLU 251 CO 0.00 0.40 0.00 0.00 -0.49 0.00 0.00 175.26 175.17 3df0 n ALA 252 N -1.03 0.00 -1.73 5.21 0.00 -1.26 -4.84 120.51 116.86 3df0 n ALA 252 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 3df0 n ALA 252 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 3df0 n ALA 252 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3df0 s VAL 253 N 0.00 2.01 0.37 0.00 1.01 -1.26 -4.13 120.40 118.40 3df0 s VAL 253 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 3df0 s VAL 253 Cb 0.00 -3.00 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 3df0 s VAL 253 CO 0.00 0.00 0.89 0.42 0.00 0.00 0.00 175.10 176.41 3df0 s THR 254 N 0.99 4.42 -1.71 3.92 -4.23 -0.08 -4.94 115.64 114.03 3df0 s THR 254 Ca 0.73 1.44 0.02 0.00 -1.18 0.00 0.00 61.69 62.70 3df0 s THR 254 Cb -0.50 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 69.70 3df0 s THR 254 CO 0.35 -0.17 0.92 0.00 -0.54 0.00 0.00 174.62 175.17 3df0 n TYR 255 N -0.26 0.10 0.48 3.99 4.11 -1.26 -0.20 117.16 124.11 3df0 n TYR 255 Ca 0.05 -0.04 0.11 0.00 -0.00 0.00 0.00 57.90 58.02 3df0 n TYR 255 Cb 0.53 -0.04 0.26 0.00 -0.00 0.00 0.00 39.34 40.10 3df0 n TYR 255 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3df0 n GLN 256 N -0.23 2.30 -2.51 -3.48 3.00 -1.26 -4.95 117.38 110.25 3df0 n GLN 256 Ca 0.02 -1.98 -0.00 0.00 -0.01 0.00 0.00 57.00 55.03 3df0 n GLN 256 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.89 3df0 n GLN 256 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3df0 n LYS 257 N 1.17 -0.91 -4.07 -1.09 4.76 0.72 0.32 118.16 119.06 3df0 n LYS 257 Ca 0.19 1.18 -0.21 0.00 -2.87 0.00 0.00 58.31 56.60 3df0 n LYS 257 Cb 0.52 -4.28 -0.17 0.00 -1.84 0.00 0.00 35.03 29.26 3df0 n LYS 257 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3df0 s LEU 258 N -3.21 1.18 -0.14 -0.35 1.43 -1.08 -3.72 118.68 112.78 3df0 s LEU 258 Ca 0.01 -0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 3df0 s LEU 258 Cb -0.00 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 3df0 s LEU 258 CO 0.49 -0.08 1.15 -0.69 0.23 0.00 0.00 176.35 177.45 3df0 s VAL 259 N 1.15 4.45 0.76 -1.59 1.01 -1.26 -0.90 120.40 124.02 3df0 s VAL 259 Ca -0.07 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.54 3df0 s VAL 259 Cb -0.14 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.17 3df0 s VAL 259 CO -0.01 -0.09 1.11 -0.54 0.00 0.00 0.00 175.10 175.57 3df0 s LYS 260 N 2.83 2.21 -1.68 2.72 1.02 -1.26 -3.99 119.74 121.59 3df0 s LYS 260 Ca 0.51 1.33 -0.11 0.00 0.02 0.00 0.00 55.97 57.73 3df0 s LYS 260 Cb -0.20 -1.88 0.10 0.00 -0.52 0.00 0.00 37.83 35.33 3df0 s LYS 260 CO 0.15 -1.70 0.34 0.41 -0.92 0.00 0.00 175.35 173.63 3df0 n GLY 261 N -0.69 -0.27 2.77 -3.33 0.00 0.26 -4.89 105.19 99.05 3df0 n GLY 261 Ca 0.10 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 3df0 n GLY 261 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3df0 s HIS 262 N -3.82 0.07 0.03 1.61 5.04 -1.26 -5.04 115.29 111.93 3df0 s HIS 262 Ca 0.38 0.11 -0.30 0.00 -1.54 0.00 0.00 55.06 53.71 3df0 s HIS 262 Cb -0.22 -0.27 -0.06 0.00 0.04 0.00 0.00 32.58 32.07 3df0 s HIS 262 CO 0.99 -0.10 1.30 0.00 -2.34 0.00 0.00 174.74 174.60 3df0 s ALA 263 N 1.11 3.51 0.30 1.58 0.00 -1.26 -4.50 121.76 122.49 3df0 s ALA 263 Ca -0.09 0.87 0.10 0.00 0.00 0.00 0.00 51.96 52.85 3df0 s ALA 263 Cb -0.13 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 3df0 s ALA 263 CO -0.03 -0.69 -0.14 0.71 0.00 0.00 0.00 175.76 175.62 3df0 s TYR 264 N 1.72 2.25 -0.20 0.00 1.51 -0.35 -4.45 117.35 117.83 3df0 s TYR 264 Ca 0.61 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 3df0 s TYR 264 Cb -0.31 -1.14 0.03 0.00 -0.11 0.00 0.00 41.96 40.44 3df0 s TYR 264 CO 0.27 0.59 -0.16 0.45 -1.11 0.00 0.00 175.55 175.59 3df0 s SER 265 N -3.52 3.48 0.02 2.29 0.15 -0.80 -1.63 113.70 113.69 3df0 s SER 265 Ca 0.30 -0.86 -0.30 0.00 0.70 0.00 0.00 55.95 55.79 3df0 s SER 265 Cb -0.01 -1.46 -0.06 0.00 -1.71 0.00 0.00 66.02 62.78 3df0 s SER 265 CO 0.15 -0.07 1.37 -0.69 1.20 0.00 0.00 173.24 175.20 3df0 s VAL 266 N 1.26 3.71 0.00 4.45 1.01 -0.92 -0.61 120.40 129.30 3df0 s VAL 266 Ca 0.01 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3df0 s VAL 266 Cb -0.15 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3df0 s VAL 266 CO -0.10 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.37 3df0 n THR 267 N 4.48 0.00 -4.57 3.92 -2.24 0.21 -4.48 114.28 111.60 3df0 n THR 267 Ca 0.12 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.68 3df0 n THR 267 Cb 0.44 -0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 3df0 n THR 267 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3df0 s GLY 268 N -3.06 0.76 -0.17 3.38 0.00 -1.04 -4.96 107.32 102.24 3df0 s GLY 268 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.99 3df0 s GLY 268 CO 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 173.10 172.46 3df0 s ALA 269 N -0.53 1.14 -0.17 3.20 0.00 -1.26 -1.62 121.76 122.51 3df0 s ALA 269 Ca 0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 3df0 s ALA 269 Cb -0.06 -1.11 0.05 0.00 0.00 0.00 0.00 23.12 22.00 3df0 s ALA 269 CO 0.00 -0.95 0.45 -1.21 0.00 0.00 0.00 175.76 174.05 3df0 s GLU 270 N 1.79 0.49 -0.21 0.00 0.41 -1.18 -4.92 118.70 115.07 3df0 s GLU 270 Ca 0.00 0.72 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 3df0 s GLU 270 Cb -0.16 0.15 0.02 0.00 -1.78 0.00 0.00 34.13 32.36 3df0 s GLU 270 CO -0.07 -0.10 -0.14 -1.83 -0.49 0.00 0.00 175.26 172.63 3df0 s GLU 271 N 0.74 2.90 -0.07 1.61 -1.05 -1.26 -2.46 118.70 119.11 3df0 s GLU 271 Ca -0.04 -0.91 -0.01 0.00 -0.15 0.00 0.00 54.97 53.86 3df0 s GLU 271 Cb -0.05 -2.76 0.03 0.00 -0.44 0.00 0.00 34.13 30.91 3df0 s GLU 271 CO -0.05 -0.30 -0.01 0.14 0.95 0.00 0.00 175.26 175.99 3df0 s VAL 272 N 1.29 0.42 -0.46 1.83 -7.23 -0.73 -4.87 120.40 110.66 3df0 s VAL 272 Ca 0.02 0.06 -0.26 0.00 -1.81 0.00 0.00 61.98 59.99 3df0 s VAL 272 Cb -0.15 -0.54 -0.07 0.00 0.56 0.00 0.00 36.38 36.18 3df0 s VAL 272 CO -0.09 0.25 2.40 1.21 -0.31 0.00 0.00 175.10 178.56 3df0 n GLU 273 N 4.87 1.16 -2.68 4.82 0.00 -1.26 -2.89 120.64 124.65 3df0 n GLU 273 Ca -0.12 0.07 -0.42 0.00 0.00 0.00 0.00 57.16 56.69 3df0 n GLU 273 Cb 0.50 -3.40 -0.04 0.00 0.00 0.00 0.00 31.44 28.50 3df0 n GLU 273 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3df0 s SER 274 N 11.68 7.39 -0.17 4.31 1.04 -1.11 -4.65 113.70 132.20 3df0 s SER 274 Ca 0.99 1.78 -0.09 0.00 0.48 0.00 0.00 55.95 59.11 3df0 s SER 274 Cb -0.21 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.28 3df0 s SER 274 CO 0.28 -0.19 0.57 -1.20 0.98 0.00 0.00 173.24 173.67 3df0 n SER 275 N 3.31 0.13 0.00 7.02 7.64 0.23 -1.93 113.62 130.02 3df0 n SER 275 Ca 0.04 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3df0 n SER 275 Cb 0.49 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 3df0 n SER 275 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df0 n GLY 276 N 1.66 2.42 3.03 0.23 0.00 -1.26 -5.03 105.19 106.24 3df0 n GLY 276 Ca 0.14 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 3df0 n GLY 276 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3df0 s SER 277 N 0.00 0.32 0.29 1.61 1.04 -0.81 -5.13 113.70 111.01 3df0 s SER 277 Ca 0.00 -0.66 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 3df0 s SER 277 Cb 0.00 0.14 -0.11 0.00 0.10 0.00 0.00 66.02 66.16 3df0 s SER 277 CO 0.00 -0.41 1.47 -0.22 0.98 0.00 0.00 173.24 175.05 3df0 s LEU 278 N -1.98 4.37 -0.18 2.42 1.98 -1.26 -2.73 118.68 121.29 3df0 s LEU 278 Ca -0.08 2.80 -0.02 0.00 -2.89 0.00 0.00 54.13 53.95 3df0 s LEU 278 Cb -0.03 -3.64 -0.00 0.00 0.66 0.00 0.00 46.19 43.18 3df0 s LEU 278 CO -0.04 -0.76 -0.11 -1.10 -1.89 0.00 0.00 176.35 172.45 3df0 s GLN 279 N -0.88 3.29 -0.38 1.98 -1.52 -1.14 -4.90 119.66 116.11 3df0 s GLN 279 Ca 0.58 -0.69 -0.27 0.00 -1.95 0.00 0.00 55.36 53.02 3df0 s GLN 279 Cb -0.44 -2.79 0.02 0.00 -0.22 0.00 0.00 33.01 29.58 3df0 s GLN 279 CO 0.49 -0.08 1.01 -1.59 -0.25 0.00 0.00 175.29 174.86 3df0 s LYS 280 N 1.11 3.88 0.11 2.91 0.00 -1.26 -1.77 119.74 124.71 3df0 s LYS 280 Ca 0.01 0.71 0.07 0.00 0.00 0.00 0.00 55.97 56.75 3df0 s LYS 280 Cb -0.14 -3.81 -0.04 0.00 0.00 0.00 0.00 37.83 33.84 3df0 s LYS 280 CO -0.03 -1.02 -0.18 -0.51 0.00 0.00 0.00 175.35 173.61 3df0 s LEU 281 N 3.71 2.34 -0.13 2.77 1.43 -1.03 -2.07 118.68 125.69 3df0 s LEU 281 Ca 0.42 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3df0 s LEU 281 Cb -0.11 -0.74 0.05 0.00 0.03 0.00 0.00 46.19 45.41 3df0 s LEU 281 CO 0.20 -0.02 0.34 -0.51 0.23 0.00 0.00 176.35 176.59 3df0 s ILE 282 N -1.52 -0.02 -0.24 -0.59 2.07 -0.93 -3.10 121.20 116.87 3df0 s ILE 282 Ca 0.07 0.07 -0.12 0.00 -1.41 0.00 0.00 60.65 59.26 3df0 s ILE 282 Cb -0.08 -0.49 -0.05 0.00 0.13 0.00 0.00 42.46 41.97 3df0 s ILE 282 CO 0.04 0.03 0.25 -0.60 -1.91 0.00 0.00 174.94 172.75 3df0 s ARG 283 N 0.90 4.08 0.26 3.50 3.52 -0.64 -2.08 118.95 128.49 3df0 s ARG 283 Ca -0.06 -0.11 0.11 0.00 -0.13 0.00 0.00 55.73 55.54 3df0 s ARG 283 Cb -0.07 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.72 3df0 s ARG 283 CO -0.07 -0.02 -0.10 0.42 -0.81 0.00 0.00 175.30 174.72 3df0 s ILE 284 N 1.29 2.99 -0.07 4.11 -1.09 -0.21 0.64 121.20 128.87 3df0 s ILE 284 Ca 0.11 -2.08 0.01 0.00 -2.23 0.00 0.00 60.65 56.47 3df0 s ILE 284 Cb -0.14 -2.57 0.02 0.00 -1.58 0.00 0.00 42.46 38.19 3df0 s ILE 284 CO 0.07 -0.34 -0.09 -0.60 -1.23 0.00 0.00 174.94 172.74 3df0 s ARG 285 N -3.46 1.40 -0.42 2.79 3.52 0.22 -1.78 118.95 121.21 3df0 s ARG 285 Ca 0.30 -0.29 -0.22 0.00 -0.13 0.00 0.00 55.73 55.39 3df0 s ARG 285 Cb -0.06 -1.26 0.02 0.00 -1.56 0.00 0.00 34.95 32.09 3df0 s ARG 285 CO 0.17 -0.05 0.69 1.21 -0.81 0.00 0.00 175.30 176.51 3df0 s ASN 286 N 0.91 6.38 0.08 -2.12 2.47 0.18 -1.91 114.94 120.93 3df0 s ASN 286 Ca -0.10 -0.15 0.03 0.00 0.42 0.00 0.00 52.86 53.05 3df0 s ASN 286 Cb -0.15 -2.35 0.14 0.00 -1.45 0.00 0.00 41.25 37.44 3df0 s ASN 286 CO 0.01 -0.79 0.85 -2.65 -3.72 0.00 0.00 177.10 170.80 3df0 n PRO 287 N 6.37 0.02 -0.06 0.43 -0.02 -1.26 -0.16 135.00 140.33 3df0 n PRO 287 Ca -0.00 0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 61.76 3df0 n PRO 287 Cb 0.48 -1.85 0.19 0.00 -0.02 0.00 0.00 33.50 32.30 3df0 n PRO 287 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 3df0 h TRP 288 N 0.00 0.72 0.00 6.00 4.06 -1.90 0.68 115.95 125.50 3df0 h TRP 288 Ca 0.00 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.84 3df0 h TRP 288 Cb 0.57 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3df0 h TRP 288 CO 0.00 0.73 0.00 0.41 -3.56 0.00 0.00 178.44 176.02 3df0 n GLY 289 N -0.57 0.62 3.46 1.49 0.00 0.78 -4.14 105.19 106.83 3df0 n GLY 289 Ca 0.01 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3df0 n GLY 289 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3df0 s GLN 290 N -0.36 1.18 -0.06 1.61 -2.07 -1.25 -3.27 119.66 115.43 3df0 s GLN 290 Ca 0.00 -0.20 -0.01 0.00 -1.82 0.00 0.00 55.36 53.33 3df0 s GLN 290 Cb 0.00 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 3df0 s GLN 290 CO 0.00 -0.47 0.04 0.28 -1.32 0.00 0.00 175.29 173.82 3df0 n VAL 291 N 0.10 -3.77 -3.66 3.63 0.31 -1.26 -4.52 118.33 109.15 3df0 n VAL 291 Ca -0.17 0.28 -0.20 0.00 -0.01 0.00 0.00 64.34 64.23 3df0 n VAL 291 Cb 0.62 -4.56 -0.01 0.00 -0.91 0.00 0.00 33.84 28.98 3df0 n VAL 291 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3df0 s GLU 292 N -0.62 3.28 0.57 5.55 2.02 -1.26 -4.69 118.70 123.56 3df0 s GLU 292 Ca 0.01 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 3df0 s GLU 292 Cb -0.00 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 3df0 s GLU 292 CO 0.14 0.22 1.04 1.67 0.02 0.00 0.00 175.26 178.35 3df0 s TRP 293 N -2.12 3.12 0.47 1.61 1.48 -1.24 -4.81 118.94 117.45 3df0 s TRP 293 Ca 0.40 1.50 0.02 0.00 -1.06 0.00 0.00 56.10 56.96 3df0 s TRP 293 Cb -0.09 -2.95 -0.02 0.00 -1.16 0.00 0.00 33.47 29.25 3df0 s TRP 293 CO 0.31 -0.92 0.04 0.95 -4.06 0.00 0.00 176.95 173.27 3df0 s THR 294 N -2.51 1.04 0.00 0.66 -4.23 0.97 -4.67 115.64 106.89 3df0 s THR 294 Ca 0.62 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 3df0 s THR 294 Cb -0.14 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.42 3df0 s THR 294 CO 0.36 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 3df0 n GLY 295 N -1.13 1.93 3.20 3.99 0.00 -1.26 -4.79 105.19 107.12 3df0 n GLY 295 Ca -0.14 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3df0 n GLY 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df0 s LYS 296 N 0.00 1.13 0.00 1.61 -0.14 -1.26 -4.95 119.74 116.13 3df0 s LYS 296 Ca 0.00 -0.87 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 3df0 s LYS 296 Cb 0.00 -1.20 0.00 0.00 -1.68 0.00 0.00 37.83 34.95 3df0 s LYS 296 CO 0.00 0.30 0.00 0.91 -0.76 0.00 0.00 175.35 175.80 3df0 n TRP 297 N 1.79 0.00 0.00 3.18 7.02 -1.26 -4.89 117.44 123.28 3df0 n TRP 297 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 3df0 n TRP 297 Cb 0.54 -1.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.43 3df0 n TRP 297 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 3df0 n ASN 298 N 0.85 0.00 -0.01 -0.99 0.23 -1.26 -4.53 115.26 109.56 3df0 n ASN 298 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.03 3df0 n ASN 298 Cb 0.11 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.81 3df0 n ASN 298 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3df0 n ASP 299 N 0.00 0.17 -3.63 0.53 9.92 -1.26 -4.54 116.55 117.75 3df0 n ASP 299 Ca 0.00 0.03 -0.41 0.00 -0.53 0.00 0.00 54.79 53.88 3df0 n ASP 299 Cb 0.00 -0.07 0.01 0.00 -0.64 0.00 0.00 41.12 40.42 3df0 n ASP 299 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3df0 n ASN 300 N -3.10 7.33 -3.62 -2.24 2.85 -1.26 -4.87 115.26 110.34 3df0 n ASN 300 Ca -0.04 -3.35 -0.24 0.00 -0.11 0.00 0.00 54.58 50.84 3df0 n ASN 300 Cb 0.51 -1.30 -0.17 0.00 1.24 0.00 0.00 39.78 40.05 3df0 n ASN 300 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3df0 n PRO 302 N 5.29 0.17 0.07 0.00 -0.02 -1.26 -1.90 135.00 137.34 3df0 n PRO 302 Ca -0.06 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.53 3df0 n PRO 302 Cb 0.49 -1.41 -0.01 0.00 -0.02 0.00 0.00 33.50 32.55 3df0 n PRO 302 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3df0 n SER 303 N 1.71 0.66 0.00 2.55 7.64 -1.26 -3.87 113.62 121.05 3df0 n SER 303 Ca 0.00 0.16 0.13 0.00 1.01 0.00 0.00 58.87 60.16 3df0 n SER 303 Cb 0.09 0.74 0.75 0.00 -1.01 0.00 0.00 64.21 64.78 3df0 n SER 303 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3df0 n TRP 304 N -2.42 0.00 0.14 1.43 7.02 -0.80 -2.29 117.44 120.52 3df0 n TRP 304 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3df0 n TRP 304 Cb 0.52 -0.03 0.16 0.00 -2.42 0.00 0.00 31.31 29.54 3df0 n TRP 304 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3df0 h ASN 305 N 0.00 0.00 -0.13 -0.99 4.21 -1.81 -3.33 115.58 113.54 3df0 h ASN 305 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3df0 h ASN 305 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 3df0 h ASN 305 CO 0.00 0.59 0.00 0.35 -1.29 0.00 0.00 177.43 177.08 3df0 n THR 306 N -3.59 0.17 -4.69 2.81 -2.24 -0.97 -4.85 114.28 100.91 3df0 n THR 306 Ca -0.00 -0.20 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 3df0 n THR 306 Cb 0.65 0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.81 3df0 n THR 306 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3df0 s VAL 307 N -1.83 1.92 0.15 2.28 1.01 -1.25 0.78 120.40 123.45 3df0 s VAL 307 Ca 0.20 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.50 3df0 s VAL 307 Cb 0.10 -1.67 -0.11 0.00 0.00 0.00 0.00 36.38 34.71 3df0 s VAL 307 CO 0.15 0.24 1.74 -0.62 0.00 0.00 0.00 175.10 176.61 3df0 s ASP 308 N -1.35 6.45 0.57 3.32 3.68 -1.26 -4.93 116.67 123.16 3df0 s ASP 308 Ca 0.10 2.74 0.27 0.00 2.13 0.00 0.00 52.55 57.79 3df0 s ASP 308 Cb -0.09 -2.58 1.63 0.00 -1.45 0.00 0.00 42.92 40.43 3df0 s ASP 308 CO 0.03 -0.96 2.16 -0.65 0.13 0.00 0.00 175.17 175.88 3df0 h PRO 309 N 7.76 0.00 -0.40 4.34 0.11 -1.96 -2.94 132.00 138.90 3df0 h PRO 309 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 3df0 h PRO 309 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3df0 h PRO 309 CO 0.94 0.00 0.17 0.93 -0.21 0.00 0.00 178.00 179.83 3df0 h GLU 310 N 0.00 0.60 0.00 1.05 4.39 -1.98 0.13 114.58 118.77 3df0 h GLU 310 Ca 0.05 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3df0 h GLU 310 Cb 0.26 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3df0 h GLU 310 CO -0.00 0.56 -1.10 0.28 -1.16 0.00 0.00 179.01 177.59 3df0 n VAL 311 N -4.65 0.02 0.10 3.13 0.31 -1.24 -4.39 118.33 111.60 3df0 n VAL 311 Ca -0.00 -0.10 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 3df0 n VAL 311 Cb 0.14 0.71 -0.07 0.00 -0.91 0.00 0.00 33.84 33.71 3df0 n VAL 311 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3df0 h ARG 312 N 0.00 -0.31 -0.14 5.55 2.43 -1.30 -2.93 114.38 117.68 3df0 h ARG 312 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3df0 h ARG 312 Cb 0.59 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3df0 h ARG 312 CO 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.51 3df0 n ALA 313 N -2.57 2.08 0.31 2.80 0.00 0.45 -1.00 120.51 122.58 3df0 n ALA 313 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.39 3df0 n ALA 313 Cb 0.26 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 3df0 n ALA 313 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df0 n ASN 314 N -0.35 0.49 0.00 0.00 3.02 -1.17 -4.88 115.26 112.37 3df0 n ASN 314 Ca 0.00 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 3df0 n ASN 314 Cb 0.03 0.87 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 3df0 n ASN 314 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3df0 n LEU 315 N -0.95 0.23 -4.54 3.41 4.77 -0.21 -5.08 117.00 114.63 3df0 n LEU 315 Ca 0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 3df0 n LEU 315 Cb 0.12 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3df0 n LEU 315 CO 0.12 0.04 -0.31 0.28 -1.33 0.00 0.00 177.39 176.19 3df0 s THR 316 N -1.22 4.22 0.08 -5.08 -1.32 -0.17 -5.09 115.64 107.05 3df0 s THR 316 Ca 0.00 -0.23 0.01 0.00 -1.21 0.00 0.00 61.69 60.26 3df0 s THR 316 Cb 0.00 -2.88 0.01 0.00 -1.51 0.00 0.00 72.50 68.12 3df0 s THR 316 CO 0.00 0.47 0.09 1.21 -2.21 0.00 0.00 174.62 174.18 3df0 n GLU 317 N 3.68 1.12 -1.90 7.08 2.13 -1.26 -4.78 120.64 126.71 3df0 n GLU 317 Ca -0.17 -0.44 0.02 0.00 0.66 0.00 0.00 57.16 57.22 3df0 n GLU 317 Cb 0.52 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.26 3df0 n GLU 317 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3df0 n ARG 318 N -0.98 0.57 -4.21 5.31 0.00 -1.26 -4.91 116.66 111.18 3df0 n ARG 318 Ca 0.01 -2.32 -0.18 0.00 -0.00 0.00 0.00 57.85 55.36 3df0 n ARG 318 Cb 0.08 -0.41 -0.12 0.00 0.00 0.00 0.00 32.46 32.01 3df0 n ARG 318 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3df0 s GLN 319 N -1.12 0.79 -0.53 -0.14 -1.52 -1.26 -4.94 119.66 110.93 3df0 s GLN 319 Ca 0.28 -0.82 -0.28 0.00 -1.95 0.00 0.00 55.36 52.59 3df0 s GLN 319 Cb 0.34 -0.75 0.03 0.00 -0.22 0.00 0.00 33.01 32.41 3df0 s GLN 319 CO -0.12 0.17 1.16 -2.00 -0.25 0.00 0.00 175.29 174.26 3df0 s GLU 320 N -1.43 3.60 -0.01 2.91 2.12 -1.26 -4.73 118.70 119.91 3df0 s GLU 320 Ca -0.02 0.38 0.01 0.00 0.36 0.00 0.00 54.97 55.70 3df0 s GLU 320 Cb -0.09 -3.97 0.01 0.00 0.26 0.00 0.00 34.13 30.35 3df0 s GLU 320 CO 0.01 -1.54 0.69 -0.40 -0.54 0.00 0.00 175.26 173.49 3df0 n ASP 321 N 8.14 0.46 0.00 -1.70 5.68 -1.25 -4.76 116.55 123.12 3df0 n ASP 321 Ca 0.10 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 3df0 n ASP 321 Cb 0.49 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3df0 n ASP 321 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3df0 n GLY 322 N -0.15 0.91 3.83 6.12 0.00 -1.20 -3.78 105.19 110.91 3df0 n GLY 322 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3df0 n GLY 322 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3df0 s GLU 323 N -0.02 3.28 0.24 1.61 2.12 -1.26 0.49 118.70 125.16 3df0 s GLU 323 Ca 0.00 -0.27 -0.21 0.00 0.36 0.00 0.00 54.97 54.84 3df0 s GLU 323 Cb 0.00 -3.04 0.06 0.00 0.26 0.00 0.00 34.13 31.41 3df0 s GLU 323 CO 0.00 0.73 0.90 -0.59 -0.54 0.00 0.00 175.26 175.76 3df0 s PHE 324 N -1.07 -0.02 0.36 5.30 -0.12 -0.74 -4.95 117.98 116.75 3df0 s PHE 324 Ca 0.18 -0.42 0.08 0.00 -0.05 0.00 0.00 56.93 56.71 3df0 s PHE 324 Cb -0.12 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 3df0 s PHE 324 CO 0.07 -1.10 0.18 -1.58 -0.05 0.00 0.00 175.22 172.74 3df0 s TRP 325 N -2.85 2.70 -0.02 3.49 0.52 -1.26 -1.04 118.94 120.48 3df0 s TRP 325 Ca 0.15 -0.43 -0.29 0.00 0.02 0.00 0.00 56.10 55.56 3df0 s TRP 325 Cb -0.03 -1.76 0.09 0.00 -1.15 0.00 0.00 33.47 30.61 3df0 s TRP 325 CO 0.06 0.26 0.78 0.00 0.02 0.00 0.00 176.95 178.07 3df0 s MET 326 N -3.89 0.95 0.64 4.98 0.23 -0.88 -4.23 119.30 117.09 3df0 s MET 326 Ca 0.40 -0.05 -0.18 0.00 -1.03 0.00 0.00 55.69 54.83 3df0 s MET 326 Cb -0.01 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 3df0 s MET 326 CO 0.23 -0.35 0.96 -1.13 -2.03 0.00 0.00 175.02 172.70 3df0 n SER 327 N 0.32 0.65 0.26 -1.18 3.41 -1.26 -2.20 113.62 113.62 3df0 n SER 327 Ca -0.14 0.76 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 3df0 n SER 327 Cb 0.60 -1.39 0.72 0.00 -0.26 0.00 0.00 64.21 63.87 3df0 n SER 327 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3df0 h PHE 328 N 0.25 0.00 0.31 7.33 3.57 -1.77 -1.31 116.94 125.33 3df0 h PHE 328 Ca -0.48 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 3df0 h PHE 328 Cb 1.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.10 3df0 h PHE 328 CO 0.37 0.12 -0.15 0.77 -2.23 0.00 0.00 178.31 177.19 3df0 h SER 329 N 0.00 -0.36 0.19 0.41 0.02 -1.89 0.64 113.55 112.57 3df0 h SER 329 Ca -0.00 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 3df0 h SER 329 Cb 0.31 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3df0 h SER 329 CO 0.02 -0.08 -0.43 0.44 -1.14 0.00 0.00 176.83 175.64 3df0 h ASP 330 N -0.64 0.32 -0.51 3.07 3.32 -1.91 0.21 116.42 120.28 3df0 h ASP 330 Ca -0.04 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 56.89 3df0 h ASP 330 Cb 0.46 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.88 3df0 h ASP 330 CO 0.07 0.71 0.30 0.15 -1.72 0.00 0.00 179.24 178.75 3df0 h PHE 331 N 0.25 0.55 -0.42 4.55 3.04 -1.19 0.95 116.94 124.66 3df0 h PHE 331 Ca 0.02 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 3df0 h PHE 331 Cb 0.87 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 3df0 h PHE 331 CO 0.02 0.31 0.04 -0.07 -2.02 0.00 0.00 178.31 176.58 3df0 h LEU 332 N 0.59 0.70 -0.61 0.59 4.07 -0.62 -2.18 115.31 117.85 3df0 h LEU 332 Ca 0.21 -0.28 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 3df0 h LEU 332 Cb 0.04 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 3df0 h LEU 332 CO -0.10 0.81 0.22 -0.09 -1.08 0.00 0.00 178.44 178.20 3df0 h ARG 333 N 0.57 0.92 0.05 1.13 2.43 -0.32 -3.37 114.38 115.79 3df0 h ARG 333 Ca 0.13 -0.18 -0.36 0.00 -0.81 0.00 0.00 59.98 58.76 3df0 h ARG 333 Cb 0.43 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3df0 h ARG 333 CO 0.01 0.80 -2.11 0.72 -1.51 0.00 0.00 179.97 177.88 3df0 n HIS 334 N -4.43 0.74 -3.27 2.20 8.25 0.32 -4.92 115.22 114.11 3df0 n HIS 334 Ca 0.04 0.18 -0.39 0.00 -0.26 0.00 0.00 57.72 57.30 3df0 n HIS 334 Cb 0.18 -1.11 -0.06 0.00 1.12 0.00 0.00 29.99 30.13 3df0 n HIS 334 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3df0 s TYR 335 N -2.55 3.73 -0.09 4.41 2.02 -0.82 -4.65 117.35 119.40 3df0 s TYR 335 Ca -0.21 1.20 -0.00 0.00 -0.37 0.00 0.00 57.07 57.69 3df0 s TYR 335 Cb 0.07 -2.53 -0.00 0.00 -0.40 0.00 0.00 41.96 39.10 3df0 s TYR 335 CO 0.74 0.47 -0.01 0.77 -1.57 0.00 0.00 175.55 175.95 3df0 h SER 336 N 5.16 0.00 -3.39 2.29 0.02 -1.63 -3.42 113.55 112.57 3df0 h SER 336 Ca -0.47 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.82 3df0 h SER 336 Cb 1.21 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.62 3df0 h SER 336 CO 0.67 0.44 -0.67 -0.13 -1.14 0.00 0.00 176.83 176.00 3df0 s ARG 337 N -1.50 2.55 -0.20 3.45 0.52 0.28 -1.34 118.95 122.70 3df0 s ARG 337 Ca -0.01 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 54.37 3df0 s ARG 337 Cb 0.00 -2.54 0.06 0.00 0.52 0.00 0.00 34.95 33.00 3df0 s ARG 337 CO 0.01 0.56 0.04 -1.17 0.02 0.00 0.00 175.30 174.75 3df0 s LEU 338 N -2.10 1.17 0.09 2.53 2.96 -0.82 -1.64 118.68 120.87 3df0 s LEU 338 Ca 0.24 -0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 53.20 3df0 s LEU 338 Cb -0.12 -0.58 -0.06 0.00 0.50 0.00 0.00 46.19 45.93 3df0 s LEU 338 CO 0.16 -0.31 0.42 -1.61 -1.32 0.00 0.00 176.35 173.69 3df0 s GLU 339 N 1.87 3.79 -0.01 1.98 2.02 0.34 -2.20 118.70 126.49 3df0 s GLU 339 Ca -0.01 0.22 0.01 0.00 0.02 0.00 0.00 54.97 55.22 3df0 s GLU 339 Cb -0.17 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.08 3df0 s GLU 339 CO -0.09 0.54 -0.04 0.42 0.02 0.00 0.00 175.26 176.12 3df0 s ILE 340 N -1.42 0.32 -0.22 -1.63 1.01 -0.35 -1.74 121.20 117.16 3df0 s ILE 340 Ca 0.34 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.86 3df0 s ILE 340 Cb -0.14 -0.29 0.03 0.00 0.01 0.00 0.00 42.46 42.08 3df0 s ILE 340 CO 0.18 0.10 -0.14 0.00 0.00 0.00 0.00 174.94 175.09 3df0 s ASN 342 N 1.23 6.42 -0.00 0.00 0.01 -0.93 0.13 114.94 121.80 3df0 s ASN 342 Ca -0.01 0.45 0.02 0.00 -0.71 0.00 0.00 52.86 52.61 3df0 s ASN 342 Cb -0.16 -2.05 0.06 0.00 0.41 0.00 0.00 41.25 39.51 3df0 s ASN 342 CO -0.08 0.28 0.94 0.18 -1.51 0.00 0.00 177.10 176.91 3df0 n LEU 343 N 1.18 0.59 -3.84 0.60 4.77 -1.26 -0.38 117.00 118.67 3df0 n LEU 343 Ca -0.12 -0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 55.46 3df0 n LEU 343 Cb 0.53 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3df0 n LEU 343 CO 0.41 0.13 0.02 0.42 -1.33 0.00 0.00 177.39 177.04 3df0 s THR 344 N -1.73 0.09 -1.13 -5.08 -4.23 -1.26 -4.93 115.64 97.37 3df0 s THR 344 Ca 0.04 -1.09 0.20 0.00 -1.18 0.00 0.00 61.69 59.66 3df0 s THR 344 Cb 0.02 -1.51 0.22 0.00 1.34 0.00 0.00 72.50 72.57 3df0 s THR 344 CO 0.02 -0.40 1.63 -2.65 -0.54 0.00 0.00 174.62 172.68 3df0 n PRO 345 N -0.18 0.09 -1.65 3.99 -0.02 -1.26 -4.60 135.00 131.37 3df0 n PRO 345 Ca -0.12 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.10 3df0 n PRO 345 Cb 0.63 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.63 3df0 n PRO 345 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3df0 n ASP 346 N -1.44 1.71 -4.91 2.55 9.92 -1.26 -4.99 116.55 118.13 3df0 n ASP 346 Ca 0.06 1.01 -0.30 0.00 -0.53 0.00 0.00 54.79 55.03 3df0 n ASP 346 Cb 0.21 -1.43 -0.04 0.00 -0.64 0.00 0.00 41.12 39.22 3df0 n ASP 346 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3df0 s THR 347 N -1.30 5.24 -0.41 -3.53 -1.32 -1.26 -5.00 115.64 108.06 3df0 s THR 347 Ca 0.66 -0.20 0.23 0.00 -1.21 0.00 0.00 61.69 61.17 3df0 s THR 347 Cb -0.50 -3.65 -0.05 0.00 -1.51 0.00 0.00 72.50 66.79 3df0 s THR 347 CO 0.55 0.01 1.05 0.18 -2.21 0.00 0.00 174.62 174.20 3df0 n LEU 348 N -0.05 0.68 -0.28 9.08 4.77 -1.26 -3.12 117.00 126.82 3df0 n LEU 348 Ca -0.04 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3df0 n LEU 348 Cb 0.52 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 3df0 n LEU 348 CO 0.50 -0.08 1.05 0.71 -1.33 0.00 0.00 177.39 178.24 3df0 h THR 349 N 0.00 1.25 -4.20 -5.08 1.35 -1.97 -3.41 112.91 100.86 3df0 h THR 349 Ca 0.00 -0.78 -0.51 0.00 -0.55 0.00 0.00 66.41 64.57 3df0 h THR 349 Cb 0.87 0.33 0.10 0.00 -1.73 0.00 0.00 68.15 67.71 3df0 h THR 349 CO 0.00 0.32 0.38 0.00 -0.25 0.00 0.00 175.52 175.97 3df0 n ASP 351 N -2.34 1.98 -4.15 0.00 9.92 -1.26 -4.85 116.55 115.85 3df0 n ASP 351 Ca 0.10 -1.80 -0.24 0.00 -0.53 0.00 0.00 54.79 52.32 3df0 n ASP 351 Cb 0.52 -0.04 -0.15 0.00 -0.64 0.00 0.00 41.12 40.81 3df0 n ASP 351 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3df0 s SER 352 N -0.82 1.96 0.38 -2.24 1.04 -1.26 -5.15 113.70 107.62 3df0 s SER 352 Ca 0.05 -0.30 -0.27 0.00 0.48 0.00 0.00 55.95 55.90 3df0 s SER 352 Cb 0.03 -0.26 -0.09 0.00 0.10 0.00 0.00 66.02 65.79 3df0 s SER 352 CO 0.03 0.20 1.33 -0.31 0.98 0.00 0.00 173.24 175.47 3df0 s TYR 353 N -0.33 2.84 0.28 5.02 1.51 -1.26 -4.94 117.35 120.48 3df0 s TYR 353 Ca 0.05 1.38 0.08 0.00 -1.01 0.00 0.00 57.07 57.57 3df0 s TYR 353 Cb -0.07 -3.72 -0.06 0.00 -0.11 0.00 0.00 41.96 38.01 3df0 s TYR 353 CO -0.00 -2.15 -0.10 0.15 -1.11 0.00 0.00 175.55 172.34 3df0 s LYS 354 N -2.11 1.60 0.11 -0.62 -0.14 -1.26 -5.16 119.74 112.16 3df0 s LYS 354 Ca 0.54 -1.79 -0.05 0.00 -1.36 0.00 0.00 55.97 53.32 3df0 s LYS 354 Cb -0.40 -1.37 -0.05 0.00 -1.68 0.00 0.00 37.83 34.33 3df0 s LYS 354 CO 0.52 0.13 0.35 0.15 -0.76 0.00 0.00 175.35 175.74 3df0 s LYS 355 N -3.65 3.61 -0.13 1.68 1.02 -1.26 -4.99 119.74 116.01 3df0 s LYS 355 Ca 0.29 -0.09 -0.06 0.00 0.02 0.00 0.00 55.97 56.13 3df0 s LYS 355 Cb 0.01 -2.91 0.06 0.00 -0.52 0.00 0.00 37.83 34.47 3df0 s LYS 355 CO 0.13 0.51 0.29 -1.58 -0.92 0.00 0.00 175.35 173.78 3df0 s TRP 356 N -1.57 -0.45 0.24 3.18 0.52 -1.26 -1.40 118.94 118.20 3df0 s TRP 356 Ca 0.38 1.00 -0.09 0.00 0.02 0.00 0.00 56.10 57.41 3df0 s TRP 356 Cb -0.13 0.06 -0.07 0.00 -1.15 0.00 0.00 33.47 32.19 3df0 s TRP 356 CO 0.23 -0.33 0.56 0.21 0.02 0.00 0.00 176.95 177.65 3df0 s LYS 357 N 1.94 3.79 -0.13 4.98 2.20 -0.05 -4.92 119.74 127.55 3df0 s LYS 357 Ca -0.04 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 3df0 s LYS 357 Cb -0.11 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.58 3df0 s LYS 357 CO -0.09 0.29 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.80 3df0 s LEU 358 N -2.92 2.15 -0.16 5.43 2.96 -1.26 -1.50 118.68 123.38 3df0 s LEU 358 Ca 0.47 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3df0 s LEU 358 Cb -0.11 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3df0 s LEU 358 CO 0.22 0.11 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.29 3df0 s THR 359 N 0.64 2.35 -0.05 3.68 2.01 0.45 -4.98 115.64 119.73 3df0 s THR 359 Ca -0.11 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.04 3df0 s THR 359 Cb -0.16 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3df0 s THR 359 CO 0.02 0.53 -0.12 -0.54 -0.69 0.00 0.00 174.62 173.83 3df0 s LYS 360 N 0.94 2.58 -0.23 4.92 1.02 -1.26 -0.51 119.74 127.20 3df0 s LYS 360 Ca -0.04 -0.65 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 3df0 s LYS 360 Cb -0.15 -2.45 0.09 0.00 -0.52 0.00 0.00 37.83 34.80 3df0 s LYS 360 CO -0.03 0.64 0.52 0.00 -0.92 0.00 0.00 175.35 175.55 3df0 s MET 361 N -0.78 0.47 0.41 1.68 0.23 -1.02 -4.95 119.30 115.34 3df0 s MET 361 Ca 0.12 1.09 0.08 0.00 -1.03 0.00 0.00 55.69 55.94 3df0 s MET 361 Cb -0.11 0.30 -0.02 0.00 -1.53 0.00 0.00 34.83 33.47 3df0 s MET 361 CO 0.01 -0.19 0.38 0.16 -2.03 0.00 0.00 175.02 173.34 3df0 s ASP 362 N 2.13 5.10 0.20 -1.18 3.84 -1.26 0.68 116.67 126.19 3df0 s ASP 362 Ca -0.06 -0.71 -0.23 0.00 -0.00 0.00 0.00 52.55 51.55 3df0 s ASP 362 Cb -0.10 -0.61 0.06 0.00 -1.38 0.00 0.00 42.92 40.89 3df0 s ASP 362 CO -0.15 -0.63 0.94 -0.83 -0.00 0.00 0.00 175.17 174.50 3df0 s GLY 363 N -4.13 -0.04 0.04 2.12 0.00 0.27 -4.96 107.32 100.61 3df0 s GLY 363 Ca 0.48 -0.16 0.06 0.00 0.00 0.00 0.00 44.72 45.10 3df0 s GLY 363 CO 0.28 0.65 -0.18 -1.31 0.00 0.00 0.00 173.10 172.54 3df0 s ASN 364 N -3.09 2.13 -0.12 1.64 -0.87 -1.26 -0.02 114.94 113.35 3df0 s ASN 364 Ca 0.15 -0.47 -0.14 0.00 -1.57 0.00 0.00 52.86 50.83 3df0 s ASN 364 Cb -0.03 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.25 40.98 3df0 s ASN 364 CO 0.05 0.12 0.32 0.26 -2.57 0.00 0.00 177.10 175.27 3df0 s TRP 365 N -0.77 3.54 -0.07 2.20 0.51 0.34 -4.78 118.94 119.91 3df0 s TRP 365 Ca 0.05 0.70 -0.03 0.00 -2.12 0.00 0.00 56.10 54.71 3df0 s TRP 365 Cb -0.08 -2.30 0.04 0.00 -0.81 0.00 0.00 33.47 30.32 3df0 s TRP 365 CO 0.01 0.39 0.14 0.50 -0.51 0.00 0.00 176.95 177.48 3df0 s ARG 366 N -0.05 0.03 -0.07 4.98 6.06 -1.26 -1.60 118.95 127.03 3df0 s ARG 366 Ca 0.19 0.47 -0.35 0.00 -2.50 0.00 0.00 55.73 53.54 3df0 s ARG 366 Cb -0.14 -0.28 -0.13 0.00 0.06 0.00 0.00 34.95 34.46 3df0 s ARG 366 CO 0.07 -0.27 1.78 -2.13 -2.50 0.00 0.00 175.30 172.25 3df0 n ARG 367 N 4.98 1.94 0.00 5.12 0.63 -1.26 -0.60 116.66 127.48 3df0 n ARG 367 Ca -0.11 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 3df0 n ARG 367 Cb 0.50 -2.50 0.00 0.00 0.45 0.00 0.00 32.46 30.91 3df0 n ARG 367 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3df0 n GLY 368 N 4.11 1.75 1.49 5.14 0.00 -1.26 -4.85 105.19 111.56 3df0 n GLY 368 Ca 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3df0 n GLY 368 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3df0 n SER 369 N 0.09 0.40 -0.00 1.61 3.41 -0.55 -4.96 113.62 113.62 3df0 n SER 369 Ca 0.00 0.24 0.03 0.00 -0.26 0.00 0.00 58.87 58.88 3df0 n SER 369 Cb 0.00 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.93 3df0 n SER 369 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3df0 n THR 370 N -3.34 0.00 -2.45 6.66 -2.24 0.23 -4.71 114.28 108.43 3df0 n THR 370 Ca 0.00 -0.30 -0.39 0.00 -2.27 0.00 0.00 64.05 61.09 3df0 n THR 370 Cb 0.06 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 3df0 n THR 370 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3df0 s ALA 371 N -1.78 2.56 -0.13 6.98 0.00 -0.57 -3.72 121.76 125.10 3df0 s ALA 371 Ca 0.01 -1.65 0.19 0.00 0.00 0.00 0.00 51.96 50.50 3df0 s ALA 371 Cb 0.04 -4.40 -0.24 0.00 0.00 0.00 0.00 23.12 18.53 3df0 s ALA 371 CO 0.24 -3.64 0.44 0.41 0.00 0.00 0.00 175.76 173.21 3df0 n GLY 372 N 6.15 -1.07 0.15 0.00 0.00 -1.26 -2.57 105.19 106.59 3df0 n GLY 372 Ca 0.20 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.92 3df0 n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df0 n GLY 373 N 1.49 -2.05 3.93 -0.02 0.00 -1.25 -2.96 105.19 104.32 3df0 n GLY 373 Ca -0.17 -1.46 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 3df0 n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df0 h ARG 375 N -1.15 0.00 0.00 0.00 9.65 -1.90 0.11 114.38 121.09 3df0 h ARG 375 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3df0 h ARG 375 Cb 1.28 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 3df0 h ARG 375 CO 0.49 0.00 0.01 0.09 2.80 0.00 0.00 179.97 183.36 3df0 n ASN 376 N -2.85 0.47 -3.69 -3.80 4.13 -1.26 -3.48 115.26 104.77 3df0 n ASN 376 Ca 0.02 0.72 -0.27 0.00 1.68 0.00 0.00 54.58 56.72 3df0 n ASN 376 Cb 0.76 -0.77 -0.11 0.00 -1.54 0.00 0.00 39.78 38.12 3df0 n ASN 376 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3df0 n TYR 377 N -2.13 2.46 0.24 3.10 4.01 0.37 -4.95 117.16 120.26 3df0 n TYR 377 Ca -0.01 -4.08 0.11 0.00 -0.16 0.00 0.00 57.90 53.76 3df0 n TYR 377 Cb 0.04 -0.45 0.60 0.00 -0.31 0.00 0.00 39.34 39.22 3df0 n TYR 377 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3df0 h PRO 378 N 5.13 0.00 -0.02 -0.72 0.13 -1.81 0.30 132.00 135.00 3df0 h PRO 378 Ca 0.18 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.31 3df0 h PRO 378 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3df0 h PRO 378 CO 0.67 0.18 0.03 -0.91 -0.23 0.00 0.00 178.00 177.74 3df0 h ASN 379 N 0.00 0.00 0.00 1.44 4.21 -1.93 -3.30 115.58 116.00 3df0 h ASN 379 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 3df0 h ASN 379 Cb 0.52 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3df0 h ASN 379 CO 0.02 0.00 -1.05 0.35 -1.29 0.00 0.00 177.43 175.46 3df0 n THR 380 N -3.66 0.05 -0.37 2.81 -2.24 -0.68 -4.80 114.28 105.38 3df0 n THR 380 Ca -0.02 -0.03 0.33 0.00 -2.27 0.00 0.00 64.05 62.05 3df0 n THR 380 Cb 0.12 -0.86 0.56 0.00 -2.10 0.00 0.00 70.33 68.04 3df0 n THR 380 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3df0 n PHE 381 N -1.99 0.68 1.37 4.78 7.35 0.96 0.50 117.46 131.11 3df0 n PHE 381 Ca -0.01 0.68 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 3df0 n PHE 381 Cb 0.48 -1.10 0.00 0.00 0.35 0.00 0.00 39.48 39.21 3df0 n PHE 381 CO 0.00 0.00 0.00 -2.67 -0.76 0.00 0.00 176.76 173.33 3df0 n TRP 382 N -4.50 0.00 -0.29 -5.13 4.27 -1.26 -2.89 117.44 107.63 3df0 n TRP 382 Ca 0.34 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.95 3df0 n TRP 382 Cb 1.28 -0.05 0.01 0.00 -1.36 0.00 0.00 31.31 31.20 3df0 n TRP 382 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3df0 n MET 383 N -0.23 2.24 -1.21 -2.67 0.00 0.18 -4.85 117.12 110.58 3df0 n MET 383 Ca 0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 57.70 56.09 3df0 n MET 383 Cb 0.11 -0.91 0.18 0.00 0.00 0.00 0.00 33.22 32.60 3df0 n MET 383 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3df0 s ASN 384 N -0.87 2.60 0.45 3.17 0.01 -1.14 -3.93 114.94 115.23 3df0 s ASN 384 Ca 0.01 1.11 -0.21 0.00 -0.71 0.00 0.00 52.86 53.07 3df0 s ASN 384 Cb 0.01 -1.76 -0.10 0.00 0.41 0.00 0.00 41.25 39.82 3df0 s ASN 384 CO 0.00 -3.14 1.00 -2.84 -1.51 0.00 0.00 177.10 170.61 3df0 s PRO 385 N -5.02 4.03 0.26 -0.60 0.02 -1.26 -5.02 135.00 127.41 3df0 s PRO 385 Ca 0.65 1.26 0.11 0.00 0.02 0.00 0.00 61.00 63.04 3df0 s PRO 385 Cb -0.18 -2.17 -0.05 0.00 0.02 0.00 0.00 34.50 32.12 3df0 s PRO 385 CO 0.57 -0.22 -0.14 -0.65 -0.33 0.00 0.00 177.00 176.23 3df0 s GLN 386 N -3.14 1.86 -0.11 5.54 -0.21 -1.26 -4.15 119.66 118.19 3df0 s GLN 386 Ca 0.64 -1.62 -0.05 0.00 0.02 0.00 0.00 55.36 54.35 3df0 s GLN 386 Cb -0.13 -1.91 0.05 0.00 1.00 0.00 0.00 33.01 32.02 3df0 s GLN 386 CO 0.17 0.35 0.24 0.71 -2.12 0.00 0.00 175.29 174.64 3df0 s TYR 387 N -2.34 -0.33 0.58 0.91 1.51 -0.78 -4.93 117.35 111.97 3df0 s TYR 387 Ca 0.29 0.81 -0.17 0.00 -1.01 0.00 0.00 57.07 56.99 3df0 s TYR 387 Cb -0.06 -0.02 -0.04 0.00 -0.11 0.00 0.00 41.96 41.73 3df0 s TYR 387 CO 0.16 -0.27 1.08 -1.17 -1.11 0.00 0.00 175.55 174.23 3df0 s LEU 388 N 1.75 3.57 -0.23 -1.29 1.98 -1.26 -0.09 118.68 123.12 3df0 s LEU 388 Ca -0.04 1.93 -0.03 0.00 -2.89 0.00 0.00 54.13 53.09 3df0 s LEU 388 Cb -0.11 -4.55 0.10 0.00 0.66 0.00 0.00 46.19 42.29 3df0 s LEU 388 CO -0.08 -1.21 0.22 -0.63 -1.89 0.00 0.00 176.35 172.76 3df0 s ILE 389 N -2.24 -0.30 -0.51 6.68 1.01 0.89 -4.83 121.20 121.89 3df0 s ILE 389 Ca 0.66 -0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.86 3df0 s ILE 389 Cb -0.18 -0.76 0.05 0.00 0.01 0.00 0.00 42.46 41.57 3df0 s ILE 389 CO 0.33 -0.31 0.69 -0.54 0.00 0.00 0.00 174.94 175.12 3df0 s LYS 390 N 2.30 3.18 -0.22 2.79 -0.14 -1.26 -1.55 119.74 124.84 3df0 s LYS 390 Ca 0.07 -0.70 -0.20 0.00 -1.36 0.00 0.00 55.97 53.78 3df0 s LYS 390 Cb -0.15 -4.07 -0.02 0.00 -1.68 0.00 0.00 37.83 31.90 3df0 s LYS 390 CO -0.18 -1.26 0.60 -0.51 -0.76 0.00 0.00 175.35 173.24 3df0 s LEU 391 N 2.93 4.11 0.11 3.17 1.02 -0.32 -4.96 118.68 124.73 3df0 s LEU 391 Ca 0.19 0.73 0.05 0.00 0.02 0.00 0.00 54.13 55.12 3df0 s LEU 391 Cb -0.17 -2.82 -0.04 0.00 0.02 0.00 0.00 46.19 43.18 3df0 s LEU 391 CO 0.14 -0.29 0.04 -0.70 0.02 0.00 0.00 176.35 175.56 3df0 s GLU 392 N 2.10 2.66 0.18 1.70 2.12 -1.26 -0.05 118.70 126.16 3df0 s GLU 392 Ca 0.26 -0.83 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 3df0 s GLU 392 Cb -0.16 -2.58 0.10 0.00 0.26 0.00 0.00 34.13 31.75 3df0 s GLU 392 CO 0.09 0.53 1.58 1.49 -0.54 0.00 0.00 175.26 178.42 3df0 h GLU 393 N 3.19 -0.18 0.00 4.30 4.57 -1.97 -2.21 114.58 122.28 3df0 h GLU 393 Ca -0.47 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3df0 h GLU 393 Cb 1.17 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3df0 h GLU 393 CO 0.62 -0.12 0.00 -0.85 -1.18 0.00 0.00 179.01 177.48 3df0 n GLU 394 N -5.43 0.17 0.00 1.92 0.00 -1.26 -2.62 120.64 113.43 3df0 n GLU 394 Ca 0.03 0.11 0.12 0.00 0.00 0.00 0.00 57.16 57.43 3df0 n GLU 394 Cb 0.35 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.52 3df0 n GLU 394 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3df0 n ASP 395 N -1.38 0.86 -4.66 -1.84 8.00 -0.83 -4.62 116.55 112.07 3df0 n ASP 395 Ca 0.08 -0.66 -0.45 0.00 0.71 0.00 0.00 54.79 54.47 3df0 n ASP 395 Cb 0.20 0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3df0 n ASP 395 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3df0 n GLU 396 N -1.10 1.91 -4.38 -1.24 1.02 -1.08 -4.66 120.64 111.12 3df0 n GLU 396 Ca 0.08 0.68 -0.19 0.00 -0.02 0.00 0.00 57.16 57.71 3df0 n GLU 396 Cb 0.35 -2.30 -0.10 0.00 -0.02 0.00 0.00 31.44 29.37 3df0 n GLU 396 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3df0 s ASP 397 N 0.17 1.74 0.00 1.62 -4.77 0.54 -4.98 116.67 110.99 3df0 s ASP 397 Ca 0.67 -1.41 0.07 0.00 -3.30 0.00 0.00 52.55 48.59 3df0 s ASP 397 Cb -0.67 0.10 0.08 0.00 -1.09 0.00 0.00 42.92 41.34 3df0 s ASP 397 CO 0.51 -0.71 0.79 -0.90 0.70 0.00 0.00 175.17 175.57 3df0 n ASP 398 N -0.62 1.74 -4.19 2.11 3.85 -1.26 -1.28 116.55 116.89 3df0 n ASP 398 Ca -0.01 -1.40 -0.40 0.00 -0.71 0.00 0.00 54.79 52.27 3df0 n ASP 398 Cb 0.66 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.41 3df0 n ASP 398 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3df0 n GLU 399 N 0.37 0.00 -1.56 0.11 1.02 -1.25 -3.05 120.64 116.28 3df0 n GLU 399 Ca 0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.01 3df0 n GLU 399 Cb 0.21 -0.98 -0.07 0.00 -0.02 0.00 0.00 31.44 30.58 3df0 n GLU 399 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3df0 n ASP 400 N 2.36 -5.07 0.00 1.62 10.43 -1.26 -3.53 116.55 121.10 3df0 n ASP 400 Ca 0.10 0.39 0.00 0.00 2.57 0.00 0.00 54.79 57.85 3df0 n ASP 400 Cb 0.42 -4.08 0.00 0.00 1.84 0.00 0.00 41.12 39.30 3df0 n ASP 400 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3df0 n GLY 401 N -0.88 2.22 3.77 0.44 0.00 -1.17 -5.00 105.19 104.57 3df0 n GLY 401 Ca -0.17 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 3df0 n GLY 401 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3df0 s GLU 402 N 0.00 3.90 -0.33 1.61 2.12 -1.23 -4.98 118.70 119.79 3df0 s GLU 402 Ca 0.00 1.81 -0.10 0.00 0.36 0.00 0.00 54.97 57.04 3df0 s GLU 402 Cb 0.00 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 31.86 3df0 s GLU 402 CO 0.00 -0.44 0.17 0.50 -0.54 0.00 0.00 175.26 174.95 3df0 s ARG 403 N -2.51 3.19 0.00 4.30 3.52 -1.26 -3.94 118.95 122.25 3df0 s ARG 403 Ca 0.60 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 3df0 s ARG 403 Cb -0.30 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 3df0 s ARG 403 CO 0.37 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 3df0 n GLY 404 N 4.99 1.80 3.31 8.12 0.00 -0.40 -4.66 105.19 118.34 3df0 n GLY 404 Ca -0.13 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3df0 n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df0 s THR 406 N 1.45 2.89 0.19 0.00 2.01 -1.26 -2.69 115.64 118.23 3df0 s THR 406 Ca 0.01 0.71 -0.17 0.00 0.31 0.00 0.00 61.69 62.55 3df0 s THR 406 Cb -0.18 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 68.90 3df0 s THR 406 CO 0.02 0.10 0.52 0.72 -0.69 0.00 0.00 174.62 175.29 3df0 s PHE 407 N 0.29 -0.12 -0.03 4.92 -0.71 -0.65 -1.77 117.98 119.91 3df0 s PHE 407 Ca 0.60 -0.22 0.01 0.00 -1.04 0.00 0.00 56.93 56.28 3df0 s PHE 407 Cb -0.40 0.39 0.01 0.00 -1.21 0.00 0.00 43.02 41.81 3df0 s PHE 407 CO 0.39 -0.91 -0.05 -0.51 -1.34 0.00 0.00 175.22 172.80 3df0 s LEU 408 N -2.87 1.53 -0.04 -1.99 1.02 -0.23 -0.21 118.68 115.88 3df0 s LEU 408 Ca 0.09 -0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.15 3df0 s LEU 408 Cb -0.01 -0.40 -0.03 0.00 0.02 0.00 0.00 46.19 45.77 3df0 s LEU 408 CO -0.03 -0.02 -0.10 -0.69 0.02 0.00 0.00 176.35 175.54 3df0 s VAL 409 N 0.59 3.45 -0.19 -1.59 1.01 -1.08 -1.23 120.40 121.35 3df0 s VAL 409 Ca -0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3df0 s VAL 409 Cb -0.11 -2.41 0.08 0.00 0.00 0.00 0.00 36.38 33.94 3df0 s VAL 409 CO 0.00 0.54 0.16 -0.83 0.00 0.00 0.00 175.10 174.98 3df0 s GLY 410 N -0.93 0.17 -0.16 4.51 0.00 -0.74 -2.20 107.32 107.96 3df0 s GLY 410 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.76 3df0 s GLY 410 CO 0.02 1.97 -0.01 -2.27 0.00 0.00 0.00 173.10 172.82 3df0 s LEU 411 N 2.24 3.44 -0.05 0.66 2.96 -0.52 -1.11 118.68 126.30 3df0 s LEU 411 Ca 0.05 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3df0 s LEU 411 Cb -0.16 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.73 3df0 s LEU 411 CO -0.12 0.19 0.10 -0.51 -1.32 0.00 0.00 176.35 174.69 3df0 s ILE 412 N 0.27 -0.05 -0.15 6.68 2.07 -0.66 -1.19 121.20 128.17 3df0 s ILE 412 Ca -0.01 0.17 -0.29 0.00 -1.41 0.00 0.00 60.65 59.11 3df0 s ILE 412 Cb -0.13 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 3df0 s ILE 412 CO 0.02 0.07 1.15 -1.10 -1.91 0.00 0.00 174.94 173.17 3df0 s GLN 413 N 1.02 4.29 0.29 3.50 -0.21 -0.31 -1.89 119.66 126.35 3df0 s GLN 413 Ca -0.08 1.54 -0.28 0.00 0.02 0.00 0.00 55.36 56.56 3df0 s GLN 413 Cb -0.11 -3.65 -0.09 0.00 1.00 0.00 0.00 33.01 30.16 3df0 s GLN 413 CO -0.04 -0.57 1.00 0.15 -2.12 0.00 0.00 175.29 173.70 3df0 s LYS 414 N 2.92 4.66 -1.23 2.91 1.02 -0.22 -4.39 119.74 125.41 3df0 s LYS 414 Ca 0.51 1.55 0.00 0.00 0.02 0.00 0.00 55.97 58.05 3df0 s LYS 414 Cb -0.20 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 3df0 s LYS 414 CO 0.14 0.31 0.00 0.72 -0.92 0.00 0.00 175.35 175.60 3df0 n HIS 415 N 1.04 -0.81 0.12 3.18 8.25 -1.26 -4.63 115.22 121.11 3df0 n HIS 415 Ca -0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 3df0 n HIS 415 Cb 0.47 -2.62 0.35 0.00 1.12 0.00 0.00 29.99 29.31 3df0 n HIS 415 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3df0 h ARG 416 N 0.00 0.21 0.00 -0.41 9.65 -1.94 -2.47 114.38 119.42 3df0 h ARG 416 Ca -0.27 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 3df0 h ARG 416 Cb 0.98 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 3df0 h ARG 416 CO 0.37 0.43 0.00 -0.09 2.80 0.00 0.00 179.97 183.48 3df0 h ARG 417 N 0.19 0.00 0.00 0.20 2.43 -1.92 -2.63 114.38 112.66 3df0 h ARG 417 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3df0 h ARG 417 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3df0 h ARG 417 CO 0.04 0.00 -0.69 0.00 -1.51 0.00 0.00 179.97 177.80 3df0 h ARG 418 N 0.00 0.00 -0.28 0.20 3.08 -1.64 -3.19 114.38 112.54 3df0 h ARG 418 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3df0 h ARG 418 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3df0 h ARG 418 CO 0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 3df0 n GLN 419 N -2.37 1.44 0.20 0.04 3.00 -0.99 -4.04 117.38 114.66 3df0 n GLN 419 Ca 0.02 -0.58 0.07 0.00 -0.01 0.00 0.00 57.00 56.50 3df0 n GLN 419 Cb 0.48 -1.21 0.37 0.00 0.00 0.00 0.00 30.24 29.88 3df0 n GLN 419 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 3df0 h ARG 420 N 0.91 0.00 -0.08 -1.09 2.43 -1.58 -2.86 114.38 112.11 3df0 h ARG 420 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3df0 h ARG 420 Cb 0.31 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 3df0 h ARG 420 CO 0.02 0.31 -0.24 0.87 -1.51 0.00 0.00 179.97 179.42 3df0 h LYS 421 N 0.00 -0.31 0.00 0.20 1.57 -1.84 0.05 116.57 116.23 3df0 h LYS 421 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3df0 h LYS 421 Cb 0.86 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3df0 h LYS 421 CO 0.04 -0.21 0.00 -0.12 -0.57 0.00 0.00 179.45 178.59 3df0 n MET 422 N -5.36 0.14 0.00 3.15 0.00 -1.09 -4.88 117.12 109.07 3df0 n MET 422 Ca -0.04 0.55 0.00 0.00 -0.00 0.00 0.00 57.70 58.21 3df0 n MET 422 Cb 0.28 -1.88 0.00 0.00 0.00 0.00 0.00 33.22 31.62 3df0 n MET 422 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3df0 n GLY 423 N -0.86 2.51 3.52 -5.12 0.00 0.00 -5.10 105.19 100.15 3df0 n GLY 423 Ca -0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 3df0 n GLY 423 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3df0 n GLU 424 N 0.00 -1.21 -0.95 1.61 1.02 -1.11 -4.82 120.64 115.18 3df0 n GLU 424 Ca 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 3df0 n GLU 424 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 3df0 n GLU 424 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3df0 n ASP 425 N -3.74 0.00 -4.63 1.62 3.85 -1.26 -3.49 116.55 108.90 3df0 n ASP 425 Ca 0.07 -0.67 -0.48 0.00 -0.71 0.00 0.00 54.79 53.00 3df0 n ASP 425 Cb 0.54 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 40.26 3df0 n ASP 425 CO 0.00 0.00 0.00 0.23 -1.01 0.00 0.00 177.20 176.42 3df0 n MET 426 N 0.00 2.02 -0.42 0.11 2.81 -1.26 -4.99 117.12 115.39 3df0 n MET 426 Ca 0.00 0.70 -0.16 0.00 -1.81 0.00 0.00 57.70 56.43 3df0 n MET 426 Cb 0.00 -2.73 0.14 0.00 -0.71 0.00 0.00 33.22 29.92 3df0 n MET 426 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3df0 n HIS 427 N 7.95 -3.31 -3.82 2.03 -0.00 -1.26 -4.85 115.22 111.96 3df0 n HIS 427 Ca 0.26 -0.50 -0.36 0.00 -0.00 0.00 0.00 57.72 57.13 3df0 n HIS 427 Cb 0.31 -0.62 -0.13 0.00 -0.00 0.00 0.00 29.99 29.56 3df0 n HIS 427 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3df0 s THR 428 N -1.91 3.24 0.30 1.59 2.01 -1.26 -4.03 115.64 115.58 3df0 s THR 428 Ca 0.37 -1.65 0.08 0.00 0.31 0.00 0.00 61.69 60.80 3df0 s THR 428 Cb -0.04 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 3df0 s THR 428 CO 0.29 -0.38 -0.10 0.27 -0.69 0.00 0.00 174.62 174.01 3df0 s ILE 429 N 1.22 1.98 0.00 1.82 -4.36 -0.25 -0.77 121.20 120.85 3df0 s ILE 429 Ca 0.01 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.21 3df0 s ILE 429 Cb -0.21 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.02 3df0 s ILE 429 CO -0.02 -0.30 0.00 0.61 0.24 0.00 0.00 174.94 175.47 3df0 n GLY 430 N -0.65 1.52 3.60 6.27 0.00 -0.99 -2.23 105.19 112.70 3df0 n GLY 430 Ca -0.05 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 3df0 n GLY 430 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3df0 s PHE 431 N -2.00 0.21 0.04 1.61 -0.71 -1.26 -2.10 117.98 113.77 3df0 s PHE 431 Ca 0.00 -0.59 -0.01 0.00 -1.04 0.00 0.00 56.93 55.29 3df0 s PHE 431 Cb 0.00 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.06 3df0 s PHE 431 CO 0.00 -1.00 -0.02 0.20 -1.34 0.00 0.00 175.22 173.06 3df0 s GLY 432 N -2.98 0.35 -0.07 1.99 0.00 -1.12 -0.65 107.32 104.85 3df0 s GLY 432 Ca 0.18 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 44.03 3df0 s GLY 432 CO 0.06 -1.00 -0.16 -0.42 0.00 0.00 0.00 173.10 171.59 3df0 s ILE 433 N -2.79 1.40 0.10 0.90 1.01 0.20 -1.01 121.20 121.02 3df0 s ILE 433 Ca -0.04 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.05 3df0 s ILE 433 Cb -0.00 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 3df0 s ILE 433 CO -0.06 0.41 -0.18 -0.31 0.00 0.00 0.00 174.94 174.80 3df0 s TYR 434 N 0.43 2.54 -0.35 3.97 2.02 -0.56 0.13 117.35 125.53 3df0 s TYR 434 Ca -0.13 -0.26 -0.26 0.00 -0.37 0.00 0.00 57.07 56.05 3df0 s TYR 434 Cb -0.15 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.06 3df0 s TYR 434 CO 0.04 0.36 0.93 -2.00 -1.57 0.00 0.00 175.55 173.32 3df0 s GLU 435 N -2.02 3.91 0.14 -0.62 2.12 -1.26 -0.20 118.70 120.76 3df0 s GLU 435 Ca 0.17 0.68 -0.31 0.00 0.36 0.00 0.00 54.97 55.87 3df0 s GLU 435 Cb -0.11 -3.78 -0.09 0.00 0.26 0.00 0.00 34.13 30.42 3df0 s GLU 435 CO 0.09 -0.89 1.46 0.14 -0.54 0.00 0.00 175.26 175.52 3df0 s VAL 436 N 3.42 3.04 0.45 3.70 -7.23 -0.94 -4.92 120.40 117.92 3df0 s VAL 436 Ca 0.38 0.74 -0.25 0.00 -1.81 0.00 0.00 61.98 61.05 3df0 s VAL 436 Cb -0.12 -3.48 -0.08 0.00 0.56 0.00 0.00 36.38 33.26 3df0 s VAL 436 CO 0.17 0.06 1.33 -2.16 -0.31 0.00 0.00 175.10 174.19 3df0 s PRO 437 N 1.10 3.69 0.00 4.82 0.04 -1.26 -4.81 135.00 138.58 3df0 s PRO 437 Ca 0.67 2.19 0.08 0.00 0.04 0.00 0.00 61.00 63.98 3df0 s PRO 437 Cb -0.40 -2.58 0.47 0.00 0.04 0.00 0.00 34.50 32.03 3df0 s PRO 437 CO 0.31 -0.73 0.91 -0.85 0.04 0.00 0.00 177.00 176.68 3df0 n GLU 438 N -0.28 0.25 -0.00 4.56 0.28 -1.26 -0.78 120.64 123.42 3df0 n GLU 438 Ca 0.06 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.15 3df0 n GLU 438 Cb 0.44 -1.48 -0.11 0.00 1.43 0.00 0.00 31.44 31.72 3df0 n GLU 438 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 3df0 n GLU 439 N -0.98 0.56 -0.02 3.44 0.00 -1.26 -4.05 120.64 118.33 3df0 n GLU 439 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 57.16 57.07 3df0 n GLU 439 Cb 0.03 -1.42 -0.14 0.00 0.00 0.00 0.00 31.44 29.90 3df0 n GLU 439 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3df0 n LEU 440 N -1.49 1.52 0.00 -1.84 4.77 0.04 -4.34 117.00 115.65 3df0 n LEU 440 Ca 0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3df0 n LEU 440 Cb 0.31 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3df0 n LEU 440 CO 0.40 0.59 0.00 0.41 -1.33 0.00 0.00 177.39 177.45 3df0 n THR 441 N -3.18 0.00 -1.17 -5.08 -1.04 -1.22 -0.02 114.28 102.56 3df0 n THR 441 Ca -0.25 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.58 3df0 n THR 441 Cb 1.06 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.49 3df0 n THR 441 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3df0 n GLY 442 N -0.76 3.73 3.52 3.41 0.00 -1.26 -4.95 105.19 108.88 3df0 n GLY 442 Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 3df0 n GLY 442 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3df0 s GLN 443 N -0.71 0.73 -0.17 1.61 -0.21 0.97 -5.06 119.66 116.82 3df0 s GLN 443 Ca 0.53 0.84 -0.23 0.00 0.02 0.00 0.00 55.36 56.52 3df0 s GLN 443 Cb 0.31 0.36 -0.20 0.00 1.00 0.00 0.00 33.01 34.48 3df0 s GLN 443 CO -0.10 -0.09 0.41 1.79 -2.12 0.00 0.00 175.29 175.17 3df0 h THR 444 N 4.13 1.18 0.00 -0.19 1.35 -1.92 -3.38 112.91 114.06 3df0 h THR 444 Ca -0.28 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.46 3df0 h THR 444 Cb 1.17 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 3df0 h THR 444 CO 0.12 0.40 0.00 -0.46 -0.25 0.00 0.00 175.52 175.33 3df0 n ASN 445 N -4.53 1.37 -4.44 5.36 0.23 -1.26 -4.81 115.26 107.17 3df0 n ASN 445 Ca -0.20 -0.99 -0.44 0.00 -0.53 0.00 0.00 54.58 52.43 3df0 n ASN 445 Cb 0.54 -0.26 -0.03 0.00 -2.08 0.00 0.00 39.78 37.95 3df0 n ASN 445 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 3df0 s ILE 446 N 0.85 4.57 0.05 1.53 2.07 -1.26 -4.97 121.20 124.03 3df0 s ILE 446 Ca 0.00 -0.98 0.08 0.00 -1.41 0.00 0.00 60.65 58.34 3df0 s ILE 446 Cb 0.00 -4.70 -0.03 0.00 0.13 0.00 0.00 42.46 37.86 3df0 s ILE 446 CO 0.00 -1.44 -0.20 -2.28 -1.91 0.00 0.00 174.94 169.11 3df0 s HIS 447 N 3.28 2.49 -0.26 3.50 2.46 -1.26 -5.04 115.29 120.46 3df0 s HIS 447 Ca 0.25 -0.30 -0.11 0.00 0.47 0.00 0.00 55.06 55.38 3df0 s HIS 447 Cb -0.12 -1.43 -0.05 0.00 -0.13 0.00 0.00 32.58 30.85 3df0 s HIS 447 CO 0.01 0.24 0.17 -0.51 -2.47 0.00 0.00 174.74 172.18 3df0 s LEU 448 N -1.46 4.07 0.82 8.88 1.43 -1.26 -5.07 118.68 126.09 3df0 s LEU 448 Ca 0.14 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.19 3df0 s LEU 448 Cb -0.10 -2.11 0.09 0.00 0.03 0.00 0.00 46.19 44.10 3df0 s LEU 448 CO 0.05 0.02 1.12 -0.94 0.23 0.00 0.00 176.35 176.83 3df0 s SER 449 N 1.34 3.86 0.13 2.29 1.04 -1.26 -4.88 113.70 116.22 3df0 s SER 449 Ca 0.07 2.01 -0.25 0.00 0.48 0.00 0.00 55.95 58.26 3df0 s SER 449 Cb -0.14 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 3df0 s SER 449 CO 0.07 -2.47 1.62 0.50 0.98 0.00 0.00 173.24 173.94 3df0 h LYS 450 N -1.34 -0.36 0.00 4.02 3.64 -1.95 -1.85 116.57 118.73 3df0 h LYS 450 Ca -0.44 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 3df0 h LYS 450 Cb 1.25 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3df0 h LYS 450 CO 0.47 -0.24 -0.12 -0.91 -2.27 0.00 0.00 179.45 176.39 3df0 h ASN 451 N -0.37 0.00 0.12 4.20 2.35 -1.96 -2.61 115.58 117.31 3df0 h ASN 451 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3df0 h ASN 451 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3df0 h ASN 451 CO -0.32 0.12 -0.06 0.15 -1.65 0.00 0.00 177.43 175.67 3df0 h PHE 452 N 0.00 -0.15 0.00 1.19 3.57 -1.69 -1.52 116.94 118.33 3df0 h PHE 452 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3df0 h PHE 452 Cb 0.30 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3df0 h PHE 452 CO 0.00 -0.07 0.00 1.19 -2.23 0.00 0.00 178.31 177.20 3df0 n PHE 453 N -5.15 0.44 0.72 0.41 3.01 -1.00 -1.72 117.46 114.17 3df0 n PHE 453 Ca -0.08 0.20 0.12 0.00 1.01 0.00 0.00 57.45 58.70 3df0 n PHE 453 Cb 0.10 -0.82 0.25 0.00 -0.01 0.00 0.00 39.48 39.00 3df0 n PHE 453 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3df0 n LEU 454 N -1.93 0.60 -0.22 4.37 4.77 -0.60 -4.10 117.00 119.89 3df0 n LEU 454 Ca 0.01 0.23 0.04 0.00 -0.03 0.00 0.00 56.01 56.26 3df0 n LEU 454 Cb 0.10 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3df0 n LEU 454 CO 0.11 -0.02 0.24 0.41 -1.33 0.00 0.00 177.39 176.80 3df0 n THR 455 N -1.92 0.00 -3.75 -5.08 -1.04 -0.70 -4.98 114.28 96.81 3df0 n THR 455 Ca 0.04 -0.44 -0.24 0.00 -2.04 0.00 0.00 64.05 61.38 3df0 n THR 455 Cb 0.40 1.12 -0.17 0.00 -1.82 0.00 0.00 70.33 69.86 3df0 n THR 455 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3df0 s THR 456 N -1.06 0.38 0.62 12.58 -4.23 -1.00 -5.11 115.64 117.81 3df0 s THR 456 Ca 0.07 -0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.37 3df0 s THR 456 Cb 0.07 -0.63 -0.02 0.00 1.34 0.00 0.00 72.50 73.25 3df0 s THR 456 CO 0.18 0.14 1.28 -0.13 -0.54 0.00 0.00 174.62 175.54 3df0 s ARG 457 N 1.96 2.76 0.63 3.99 0.52 -1.26 -4.76 118.95 122.79 3df0 s ARG 457 Ca 0.04 2.02 -0.18 0.00 -0.52 0.00 0.00 55.73 57.08 3df0 s ARG 457 Cb -0.13 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.39 3df0 s ARG 457 CO -0.06 -1.42 1.30 0.00 0.02 0.00 0.00 175.30 175.13 3df0 s ALA 458 N -1.44 2.44 -0.06 2.13 0.00 -1.26 -4.87 121.76 118.70 3df0 s ALA 458 Ca 0.80 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.96 3df0 s ALA 458 Cb -0.36 -3.55 -0.26 0.00 0.00 0.00 0.00 23.12 18.95 3df0 s ALA 458 CO 0.39 -1.54 0.62 -0.09 0.00 0.00 0.00 175.76 175.13 3df0 h ARG 459 N 0.67 0.21 -3.74 0.00 9.65 0.75 -3.49 114.38 118.43 3df0 h ARG 459 Ca -0.51 -0.36 -0.08 0.00 -1.10 0.00 0.00 59.98 57.93 3df0 h ARG 459 Cb 1.33 0.13 -0.09 0.00 -1.39 0.00 0.00 29.97 29.95 3df0 h ARG 459 CO 0.54 1.03 -0.16 -1.21 2.80 0.00 0.00 179.97 182.97 3df0 s GLU 460 N -2.59 1.55 -0.04 0.20 0.41 -1.14 -5.02 118.70 112.07 3df0 s GLU 460 Ca -0.14 -1.31 -0.29 0.00 -0.41 0.00 0.00 54.97 52.82 3df0 s GLU 460 Cb 0.07 0.45 0.11 0.00 -1.78 0.00 0.00 34.13 32.98 3df0 s GLU 460 CO 0.82 -0.64 0.92 -0.98 -0.49 0.00 0.00 175.26 174.89 3df0 s ARG 461 N -3.95 0.75 0.80 1.61 1.70 -1.26 0.63 118.95 119.22 3df0 s ARG 461 Ca 0.24 -0.21 -0.14 0.00 -0.47 0.00 0.00 55.73 55.14 3df0 s ARG 461 Cb -0.00 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.76 3df0 s ARG 461 CO 0.10 -0.32 0.88 -1.13 -1.08 0.00 0.00 175.30 173.75 3df0 n SER 462 N -0.08 -0.08 -0.02 -2.89 3.41 0.17 -4.92 113.62 109.21 3df0 n SER 462 Ca -0.08 0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 58.96 3df0 n SER 462 Cb 0.61 -1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.12 3df0 n SER 462 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3df0 h ASP 463 N -0.77 -1.39 -1.28 4.04 5.19 -1.98 -3.45 116.42 116.78 3df0 h ASP 463 Ca -0.46 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3df0 h ASP 463 Cb 1.31 0.57 0.00 0.00 0.18 0.00 0.00 39.33 41.39 3df0 h ASP 463 CO 0.43 -0.43 0.00 0.35 -3.12 0.00 0.00 179.24 176.48 3df0 n THR 464 N -5.43 0.00 -3.87 0.35 -2.24 -1.26 -5.12 114.28 96.70 3df0 n THR 464 Ca -0.04 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 3df0 n THR 464 Cb 0.36 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.50 3df0 n THR 464 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3df0 s PHE 465 N -3.46 3.27 0.13 4.78 2.99 -1.26 -4.66 117.98 119.77 3df0 s PHE 465 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 56.93 57.07 3df0 s PHE 465 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 43.02 40.83 3df0 s PHE 465 CO 0.00 0.09 -0.12 -1.50 -0.00 0.00 0.00 175.22 173.69 3df0 s ILE 466 N 0.66 1.24 -0.28 0.64 2.07 -0.95 -4.79 121.20 119.81 3df0 s ILE 466 Ca 0.05 -1.87 -0.01 0.00 -1.41 0.00 0.00 60.65 57.41 3df0 s ILE 466 Cb -0.13 -1.66 0.20 0.00 0.13 0.00 0.00 42.46 41.01 3df0 s ILE 466 CO 0.01 -0.57 1.94 -0.46 -1.91 0.00 0.00 174.94 173.95 3df0 n ASN 467 N 0.19 6.01 -4.86 4.50 6.94 -1.26 -1.09 115.26 125.70 3df0 n ASN 467 Ca -0.13 -2.97 -0.31 0.00 -0.02 0.00 0.00 54.58 51.15 3df0 n ASN 467 Cb 0.59 -1.02 -0.03 0.00 -2.36 0.00 0.00 39.78 36.96 3df0 n ASN 467 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3df0 s LEU 468 N -1.62 3.74 0.22 -4.53 1.43 -1.26 -4.79 118.68 111.87 3df0 s LEU 468 Ca 0.27 1.35 -0.06 0.00 -1.03 0.00 0.00 54.13 54.66 3df0 s LEU 468 Cb 0.22 -4.25 0.20 0.00 0.03 0.00 0.00 46.19 42.38 3df0 s LEU 468 CO 0.00 -0.48 1.73 -0.09 0.23 0.00 0.00 176.35 177.74 3df0 h ARG 469 N 1.13 1.02 -5.19 1.70 2.43 -1.91 -3.42 114.38 110.14 3df0 h ARG 469 Ca -0.47 -0.26 -0.56 0.00 -0.81 0.00 0.00 59.98 57.88 3df0 h ARG 469 Cb 1.19 -0.13 -0.32 0.00 -0.42 0.00 0.00 29.97 30.29 3df0 h ARG 469 CO 0.63 0.93 -0.84 -2.00 -1.51 0.00 0.00 179.97 177.18 3df0 s GLU 470 N -5.19 1.85 -0.19 0.20 2.12 -1.26 -1.16 118.70 115.06 3df0 s GLU 470 Ca -0.11 -0.60 -0.02 0.00 0.36 0.00 0.00 54.97 54.60 3df0 s GLU 470 Cb 0.15 -1.57 -0.01 0.00 0.26 0.00 0.00 34.13 32.96 3df0 s GLU 470 CO 0.84 0.21 -0.09 0.54 -0.54 0.00 0.00 175.26 176.21 3df0 s VAL 471 N 0.15 3.11 -0.08 3.70 0.11 -0.33 -4.97 120.40 122.08 3df0 s VAL 471 Ca -0.06 -0.60 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 3df0 s VAL 471 Cb -0.12 -2.37 0.04 0.00 -1.53 0.00 0.00 36.38 32.40 3df0 s VAL 471 CO 0.03 0.47 0.16 -1.48 -3.33 0.00 0.00 175.10 170.95 3df0 s LEU 472 N 1.13 0.32 0.23 2.54 0.05 -1.26 -1.44 118.68 120.26 3df0 s LEU 472 Ca 0.01 0.34 0.07 0.00 0.05 0.00 0.00 54.13 54.60 3df0 s LEU 472 Cb -0.14 0.35 -0.05 0.00 -2.05 0.00 0.00 46.19 44.30 3df0 s LEU 472 CO -0.02 -0.19 -0.11 0.20 -0.55 0.00 0.00 176.35 175.67 3df0 s ASN 473 N 1.71 2.64 -0.04 1.48 -0.87 -0.94 -4.96 114.94 113.96 3df0 s ASN 473 Ca -0.03 -1.08 -0.03 0.00 -1.57 0.00 0.00 52.86 50.14 3df0 s ASN 473 Cb -0.12 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.25 40.93 3df0 s ASN 473 CO -0.06 -0.23 0.14 0.00 -2.57 0.00 0.00 177.10 174.38 3df0 s ARG 474 N -3.67 3.34 0.24 -0.60 1.70 -1.26 -2.65 118.95 116.05 3df0 s ARG 474 Ca 0.25 -0.30 0.02 0.00 -0.47 0.00 0.00 55.73 55.23 3df0 s ARG 474 Cb 0.01 -3.06 -0.05 0.00 -0.57 0.00 0.00 34.95 31.27 3df0 s ARG 474 CO 0.09 0.70 0.04 -0.06 -1.08 0.00 0.00 175.30 174.99 3df0 s PHE 475 N -1.19 1.53 -0.24 5.89 0.40 0.70 -5.00 117.98 120.07 3df0 s PHE 475 Ca 0.22 -1.04 -0.03 0.00 -0.60 0.00 0.00 56.93 55.48 3df0 s PHE 475 Cb -0.12 -0.91 0.13 0.00 0.51 0.00 0.00 43.02 42.63 3df0 s PHE 475 CO 0.13 -0.18 0.36 0.21 0.70 0.00 0.00 175.22 176.44 3df0 s LYS 476 N -3.94 0.33 0.22 0.44 2.20 -1.26 -1.63 119.74 116.10 3df0 s LYS 476 Ca 0.32 0.52 0.06 0.00 -0.36 0.00 0.00 55.97 56.51 3df0 s LYS 476 Cb 0.07 -0.52 -0.05 0.00 -1.51 0.00 0.00 37.83 35.81 3df0 s LYS 476 CO 0.10 -0.63 -0.08 -0.51 -0.36 0.00 0.00 175.35 173.87 3df0 s LEU 477 N 2.53 2.44 0.60 5.43 1.43 -1.10 -4.84 118.68 125.18 3df0 s LEU 477 Ca 0.12 -1.11 -0.19 0.00 -1.03 0.00 0.00 54.13 51.92 3df0 s LEU 477 Cb -0.15 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 3df0 s LEU 477 CO -0.15 -0.33 1.22 -2.84 0.23 0.00 0.00 176.35 174.47 3df0 s PRO 478 N -3.74 2.90 0.34 1.29 0.02 -1.26 -0.57 135.00 133.98 3df0 s PRO 478 Ca 0.25 1.86 -0.28 0.00 0.02 0.00 0.00 61.00 62.84 3df0 s PRO 478 Cb 0.03 -1.92 -0.12 0.00 0.02 0.00 0.00 34.50 32.51 3df0 s PRO 478 CO 0.07 -1.27 1.29 -0.35 -0.33 0.00 0.00 177.00 176.41 3df0 n PRO 479 N -1.66 2.14 -3.97 5.54 -0.04 -1.26 -4.84 135.00 130.90 3df0 n PRO 479 Ca 0.14 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 3df0 n PRO 479 Cb 0.49 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 3df0 n PRO 479 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3df0 n GLY 480 N 0.78 -1.50 3.77 0.55 0.00 0.93 -4.97 105.19 104.75 3df0 n GLY 480 Ca 0.05 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 3df0 n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df0 s GLU 481 N -1.95 3.22 -0.03 1.61 2.02 -1.26 -1.17 118.70 121.13 3df0 s GLU 481 Ca 0.00 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.66 3df0 s GLU 481 Cb 0.00 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.26 3df0 s GLU 481 CO 0.00 0.72 0.12 0.71 0.02 0.00 0.00 175.26 176.83 3df0 s TYR 482 N -0.89 -0.08 -0.16 1.61 2.02 -0.60 -2.21 117.35 117.04 3df0 s TYR 482 Ca 0.14 0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.97 3df0 s TYR 482 Cb -0.12 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 3df0 s TYR 482 CO 0.03 -0.12 0.05 0.08 -1.57 0.00 0.00 175.55 174.01 3df0 s VAL 483 N -0.32 4.65 -0.22 0.71 1.01 0.72 -0.08 120.40 126.88 3df0 s VAL 483 Ca -0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 3df0 s VAL 483 Cb -0.03 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3df0 s VAL 483 CO 0.00 0.49 0.14 -0.22 0.00 0.00 0.00 175.10 175.52 3df0 s LEU 484 N 0.15 4.15 -0.39 3.92 2.96 0.87 -1.50 118.68 128.84 3df0 s LEU 484 Ca 0.04 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 3df0 s LEU 484 Cb -0.12 -2.09 0.11 0.00 0.50 0.00 0.00 46.19 44.58 3df0 s LEU 484 CO 0.01 0.12 0.11 -0.69 -1.32 0.00 0.00 176.35 174.58 3df0 s VAL 485 N 0.72 2.33 0.38 1.68 1.01 -0.18 -1.86 120.40 124.47 3df0 s VAL 485 Ca 0.08 -2.62 -0.12 0.00 0.00 0.00 0.00 61.98 59.32 3df0 s VAL 485 Cb -0.12 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 3df0 s VAL 485 CO 0.01 -0.66 0.75 -2.16 0.00 0.00 0.00 175.10 173.04 3df0 s PRO 486 N 0.56 3.84 -0.01 2.72 0.04 -1.26 -2.78 135.00 138.10 3df0 s PRO 486 Ca 0.13 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 3df0 s PRO 486 Cb -0.21 -2.41 0.11 0.00 0.04 0.00 0.00 34.50 32.03 3df0 s PRO 486 CO -0.06 0.03 1.19 -1.54 0.04 0.00 0.00 177.00 176.66 3df0 s SER 487 N -2.89 -0.11 0.52 6.66 1.04 -0.89 -4.64 113.70 113.39 3df0 s SER 487 Ca 0.52 -0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.82 3df0 s SER 487 Cb -0.10 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.28 3df0 s SER 487 CO 0.27 -0.43 0.72 -0.89 0.98 0.00 0.00 173.24 173.89 3df0 s THR 488 N -2.64 2.75 -0.04 2.02 2.01 -1.26 -2.36 115.64 116.12 3df0 s THR 488 Ca 0.12 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 3df0 s THR 488 Cb 0.02 -2.99 -0.15 0.00 0.01 0.00 0.00 72.50 69.39 3df0 s THR 488 CO -0.03 0.00 0.92 0.15 -0.69 0.00 0.00 174.62 174.97 3df0 h PHE 489 N 0.21 -0.26 -3.56 4.92 3.04 -1.30 0.15 116.94 120.13 3df0 h PHE 489 Ca -0.41 -0.01 -0.52 0.00 3.98 0.00 0.00 57.97 61.01 3df0 h PHE 489 Cb 1.29 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.86 3df0 h PHE 489 CO 0.37 0.13 0.12 -1.21 -2.02 0.00 0.00 178.31 175.71 3df0 s GLU 490 N -3.63 4.31 0.93 1.11 2.02 -1.26 -1.77 118.70 120.41 3df0 s GLU 490 Ca -0.12 0.93 -0.16 0.00 0.02 0.00 0.00 54.97 55.64 3df0 s GLU 490 Cb 0.01 -2.95 0.23 0.00 0.10 0.00 0.00 34.13 31.53 3df0 s GLU 490 CO 0.47 0.42 0.74 -0.35 0.02 0.00 0.00 175.26 176.56 3df0 n PRO 491 N 0.88 -2.97 -0.90 0.39 -0.04 -1.26 -3.95 135.00 127.15 3df0 n PRO 491 Ca -0.03 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 3df0 n PRO 491 Cb 0.51 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 3df0 n PRO 491 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3df0 n HIS 492 N -4.43 0.00 -2.77 0.54 8.25 -1.06 -4.79 115.22 110.96 3df0 n HIS 492 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3df0 n HIS 492 Cb 0.42 -1.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.01 3df0 n HIS 492 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3df0 s LYS 493 N -1.40 4.36 0.11 -0.41 -0.14 -1.26 -4.61 119.74 116.39 3df0 s LYS 493 Ca 0.00 1.24 -0.22 0.00 -1.36 0.00 0.00 55.97 55.63 3df0 s LYS 493 Cb 0.00 -3.56 -0.07 0.00 -1.68 0.00 0.00 37.83 32.52 3df0 s LYS 493 CO 0.00 -0.34 0.67 -0.80 -0.76 0.00 0.00 175.35 174.12 3df0 s ASN 494 N 1.12 7.21 0.00 2.83 0.01 -1.26 -4.50 114.94 120.35 3df0 s ASN 494 Ca 0.44 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 54.02 3df0 s ASN 494 Cb -0.17 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.06 3df0 s ASN 494 CO 0.15 0.22 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 3df0 n GLY 495 N 1.75 2.25 3.86 0.66 0.00 -0.63 -4.98 105.19 108.09 3df0 n GLY 495 Ca -0.08 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 3df0 n GLY 495 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3df0 s ASP 496 N 0.00 6.72 0.20 1.61 1.01 -1.26 0.13 116.67 125.07 3df0 s ASP 496 Ca 0.00 0.94 -0.03 0.00 0.71 0.00 0.00 52.55 54.17 3df0 s ASP 496 Cb 0.00 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 3df0 s ASP 496 CO 0.00 0.10 0.17 0.72 0.21 0.00 0.00 175.17 176.36 3df0 s PHE 497 N -1.50 1.02 0.07 4.23 -0.71 0.97 -1.06 117.98 120.99 3df0 s PHE 497 Ca 0.38 -1.27 0.01 0.00 -1.04 0.00 0.00 56.93 55.00 3df0 s PHE 497 Cb -0.14 -0.45 -0.04 0.00 -1.21 0.00 0.00 43.02 41.18 3df0 s PHE 497 CO 0.19 -0.67 -0.05 0.00 -1.34 0.00 0.00 175.22 173.35 3df0 s ILE 499 N -3.45 1.98 -0.32 0.00 1.01 0.22 -1.65 121.20 119.00 3df0 s ILE 499 Ca 0.06 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 3df0 s ILE 499 Cb 0.04 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 3df0 s ILE 499 CO -0.06 0.54 0.18 -0.13 0.00 0.00 0.00 174.94 175.47 3df0 s ARG 500 N 0.27 3.43 -0.27 2.79 0.52 -0.27 -2.42 118.95 123.01 3df0 s ARG 500 Ca -0.16 -0.66 -0.10 0.00 -0.52 0.00 0.00 55.73 54.29 3df0 s ARG 500 Cb -0.17 -3.65 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 3df0 s ARG 500 CO 0.08 -0.41 0.15 0.08 0.02 0.00 0.00 175.30 175.22 3df0 s VAL 501 N 1.66 5.06 -0.30 3.52 1.01 0.33 -1.80 120.40 129.88 3df0 s VAL 501 Ca 0.05 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 3df0 s VAL 501 Cb -0.17 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3df0 s VAL 501 CO 0.08 0.29 0.14 -0.36 0.00 0.00 0.00 175.10 175.24 3df0 s PHE 502 N 1.62 3.16 -0.14 5.22 0.08 -0.37 -0.41 117.98 127.14 3df0 s PHE 502 Ca 0.07 -0.54 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 3df0 s PHE 502 Cb -0.15 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.92 3df0 s PHE 502 CO 0.08 -0.43 0.18 -1.12 -0.10 0.00 0.00 175.22 173.83 3df0 s SER 503 N 1.61 6.37 0.20 1.36 0.01 -0.56 -1.06 113.70 121.62 3df0 s SER 503 Ca 0.05 0.43 -0.30 0.00 1.31 0.00 0.00 55.95 57.44 3df0 s SER 503 Cb -0.17 -2.11 -0.08 0.00 0.21 0.00 0.00 66.02 63.87 3df0 s SER 503 CO 0.06 0.28 1.21 -0.70 0.41 0.00 0.00 173.24 174.50 3df0 s GLU 504 N -0.33 4.48 0.07 12.44 2.12 -0.73 -0.87 118.70 135.88 3df0 s GLU 504 Ca 0.13 1.91 0.05 0.00 0.36 0.00 0.00 54.97 57.42 3df0 s GLU 504 Cb -0.12 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 3df0 s GLU 504 CO 0.03 -0.10 -0.13 0.15 -0.54 0.00 0.00 175.26 174.66 3df0 s LYS 505 N -0.32 0.79 -0.34 4.30 -0.14 -0.49 -4.83 119.74 118.71 3df0 s LYS 505 Ca 0.53 -0.96 -0.11 0.00 -1.36 0.00 0.00 55.97 54.07 3df0 s LYS 505 Cb -0.33 -0.74 0.00 0.00 -1.68 0.00 0.00 37.83 35.08 3df0 s LYS 505 CO 0.38 0.16 0.18 0.15 -0.76 0.00 0.00 175.35 175.46 3df0 s LYS 506 N -1.86 3.16 -0.36 1.68 3.01 -1.26 -4.15 119.74 119.96 3df0 s LYS 506 Ca -0.02 -0.85 -0.17 0.00 -1.01 0.00 0.00 55.97 53.92 3df0 s LYS 506 Cb -0.09 -3.66 -0.18 0.00 -1.01 0.00 0.00 37.83 32.89 3df0 s LYS 506 CO 0.02 -0.53 1.44 0.00 0.51 0.00 0.00 175.35 176.80 3df0 n ALA 507 N 5.00 0.39 -1.51 5.17 0.00 -1.26 -4.16 120.51 124.15 3df0 n ALA 507 Ca -0.13 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.53 3df0 n ALA 507 Cb 0.48 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3df0 n ALA 507 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3df0 n ASP 508 N 10.74 0.00 -0.66 0.00 2.03 -1.26 -5.10 116.55 122.30 3df0 n ASP 508 Ca 0.26 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 54.36 3df0 n ASP 508 Cb 0.42 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 3df0 n ASP 508 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3df0 n TYR 509 N 0.00 -0.33 -0.63 -0.67 4.02 -1.26 -5.17 117.16 113.12 3df0 n TYR 509 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 3df0 n TYR 509 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.84 3df0 n TYR 509 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3df0 n GLN 510 N 0.00 -1.54 -0.21 -0.72 1.13 -1.26 -4.92 117.38 109.87 3df0 n GLN 510 Ca 0.00 1.23 0.00 0.00 -1.94 0.00 0.00 57.00 56.29 3df0 n GLN 510 Cb 0.00 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 28.69 3df0 n GLN 510 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3df0 n THR 511 N -2.56 0.00 -2.86 5.09 -1.04 -1.26 -5.07 114.28 106.58 3df0 n THR 511 Ca -0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 3df0 n THR 511 Cb 0.25 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.72 3df0 n THR 511 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3df0 s VAL 512 N -2.53 4.69 -0.34 12.58 -7.23 -1.26 -5.02 120.40 121.30 3df0 s VAL 512 Ca 0.00 1.28 0.02 0.00 -1.81 0.00 0.00 61.98 61.46 3df0 s VAL 512 Cb 0.00 -4.24 0.10 0.00 0.56 0.00 0.00 36.38 32.80 3df0 s VAL 512 CO 0.00 -0.36 0.09 -1.81 -0.31 0.00 0.00 175.10 172.71 3df0 s ASP 513 N 1.68 4.32 0.44 4.85 -0.00 -1.26 -5.11 116.67 121.60 3df0 s ASP 513 Ca 0.36 -1.95 -0.21 0.00 -0.00 0.00 0.00 52.55 50.75 3df0 s ASP 513 Cb -0.13 -1.21 -0.14 0.00 -0.00 0.00 0.00 42.92 41.43 3df0 s ASP 513 CO 0.14 -0.39 0.19 -0.90 -0.00 0.00 0.00 175.17 174.22 3df0 n ASP 514 N 4.47 -2.39 -3.72 0.27 5.68 -1.26 -5.02 116.55 114.58 3df0 n ASP 514 Ca 0.01 0.80 -0.12 0.00 -0.50 0.00 0.00 54.79 54.98 3df0 n ASP 514 Cb 0.41 -0.96 -0.10 0.00 -1.14 0.00 0.00 41.12 39.33 3df0 n ASP 514 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3df0 s GLU 515 N -1.24 0.43 0.00 0.11 4.04 -1.26 -5.08 118.70 115.71 3df0 s GLU 515 Ca 0.61 0.66 0.00 0.00 0.04 0.00 0.00 54.97 56.27 3df0 s GLU 515 Cb -0.59 0.12 0.00 0.00 0.02 0.00 0.00 34.13 33.68 3df0 s GLU 515 CO 0.61 -0.10 0.00 -0.89 -1.84 0.00 0.00 175.26 173.04 3df0 n ILE 516 N 3.48 0.00 -3.99 1.83 -0.00 -1.23 -4.93 119.36 114.52 3df0 n ILE 516 Ca -0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.48 3df0 n ILE 516 Cb 0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 40.10 3df0 n ILE 516 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 3df0 s GLU 517 N 0.00 0.40 0.00 0.38 2.56 -0.96 -4.99 118.70 116.09 3df0 s GLU 517 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.97 54.26 3df0 s GLU 517 Cb 0.00 0.14 0.00 0.00 2.00 0.00 0.00 34.13 36.27 3df0 s GLU 517 CO 0.00 -0.07 0.00 0.00 -0.56 0.00 0.00 175.26 174.63 3df0 n ALA 518 N 1.26 0.00 -2.69 6.30 0.00 -1.26 -0.65 120.51 123.47 3df0 n ALA 518 Ca -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 3df0 n ALA 518 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 3df0 n ALA 518 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df0 n ASN 519 N -1.31 -1.82 -4.24 0.00 4.13 -1.25 -4.82 115.26 105.95 3df0 n ASN 519 Ca 0.00 -1.46 -0.34 0.00 1.68 0.00 0.00 54.58 54.46 3df0 n ASN 519 Cb 0.00 0.94 0.12 0.00 -1.54 0.00 0.00 39.78 39.30 3df0 n ASN 519 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3df0 n ILE 520 N 2.48 0.00 -2.73 2.41 -0.00 -1.26 -4.67 119.36 115.59 3df0 n ILE 520 Ca 0.11 -0.25 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 3df0 n ILE 520 Cb 0.64 -0.44 0.05 0.00 -0.00 0.00 0.00 39.64 39.90 3df0 n ILE 520 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3df0 n GLU 521 N -0.63 1.31 -1.75 6.28 1.02 -1.26 -5.07 120.64 120.54 3df0 n GLU 521 Ca 0.02 -2.87 -0.19 0.00 -0.02 0.00 0.00 57.16 54.10 3df0 n GLU 521 Cb 0.61 -1.00 -0.09 0.00 -0.02 0.00 0.00 31.44 30.94 3df0 n GLU 521 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3df0 s GLU 522 N -2.51 1.71 0.33 3.49 -1.05 -1.26 -4.87 118.70 114.54 3df0 s GLU 522 Ca 0.25 -0.40 0.03 0.00 -0.15 0.00 0.00 54.97 54.70 3df0 s GLU 522 Cb 0.34 -5.01 -0.01 0.00 -0.44 0.00 0.00 34.13 29.01 3df0 s GLU 522 CO -0.07 -4.72 0.10 1.51 0.95 0.00 0.00 175.26 173.03 3df0 n ILE 523 N 8.59 0.00 -2.12 1.83 0.13 -1.26 -4.99 119.36 121.53 3df0 n ILE 523 Ca 0.43 -1.90 -0.01 0.00 -1.10 0.00 0.00 62.75 60.16 3df0 n ILE 523 Cb 0.46 0.65 0.01 0.00 -0.84 0.00 0.00 39.64 39.92 3df0 n ILE 523 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3df0 n GLU 524 N -0.76 -0.60 -1.88 9.51 1.02 -1.26 -4.99 120.64 121.67 3df0 n GLU 524 Ca -0.06 0.75 -0.15 0.00 -0.02 0.00 0.00 57.16 57.69 3df0 n GLU 524 Cb 0.49 -3.16 0.08 0.00 -0.02 0.00 0.00 31.44 28.82 3df0 n GLU 524 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3df0 n ALA 525 N -1.51 0.14 -1.43 0.62 0.00 -1.26 -4.79 120.51 112.28 3df0 n ALA 525 Ca -0.01 -1.26 0.17 0.00 0.00 0.00 0.00 53.44 52.35 3df0 n ALA 525 Cb 0.51 0.21 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 3df0 n ALA 525 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df0 n ASN 526 N -2.93 -7.82 0.01 0.00 4.13 -1.26 -4.01 115.26 103.38 3df0 n ASN 526 Ca 0.11 1.41 -0.03 0.00 1.68 0.00 0.00 54.58 57.75 3df0 n ASN 526 Cb 0.38 -4.89 0.21 0.00 -1.54 0.00 0.00 39.78 33.93 3df0 n ASN 526 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3df0 h GLU 527 N -1.40 0.48 -0.98 3.52 4.39 -1.97 -2.96 114.58 115.66 3df0 h GLU 527 Ca -0.19 -0.18 0.19 0.00 0.34 0.00 0.00 59.36 59.52 3df0 h GLU 527 Cb 1.37 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.89 3df0 h GLU 527 CO 0.07 0.69 0.61 1.05 -1.16 0.00 0.00 179.01 180.27 3df0 h GLU 528 N 0.43 0.66 0.00 2.33 4.11 -2.02 -2.63 114.58 117.47 3df0 h GLU 528 Ca 0.07 -0.04 -0.32 0.00 0.07 0.00 0.00 59.36 59.14 3df0 h GLU 528 Cb 0.64 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 3df0 h GLU 528 CO 0.05 0.44 -1.96 -0.25 0.07 0.00 0.00 179.01 177.36 3df0 n ASP 529 N -4.67 0.57 -4.65 3.06 8.00 -1.20 -4.90 116.55 112.75 3df0 n ASP 529 Ca 0.22 0.26 -0.29 0.00 0.71 0.00 0.00 54.79 55.69 3df0 n ASP 529 Cb 0.59 0.31 0.18 0.00 -0.02 0.00 0.00 41.12 42.19 3df0 n ASP 529 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3df0 s ILE 530 N -2.56 2.22 0.18 0.53 1.01 -0.99 -5.03 121.20 116.56 3df0 s ILE 530 Ca -0.07 0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.77 3df0 s ILE 530 Cb 0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3df0 s ILE 530 CO 0.83 -0.10 -0.23 -0.83 0.00 0.00 0.00 174.94 174.61 3df0 s GLY 531 N -3.23 1.69 0.55 6.18 0.00 -1.26 -4.93 107.32 106.31 3df0 s GLY 531 Ca 0.65 -1.58 0.35 0.00 0.00 0.00 0.00 44.72 44.14 3df0 s GLY 531 CO 0.59 -1.59 2.02 -0.55 0.00 0.00 0.00 173.10 173.56 3df0 h ASP 532 N 3.33 0.00 0.46 1.64 3.45 -1.97 0.41 116.42 123.73 3df0 h ASP 532 Ca -0.47 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 56.96 3df0 h ASP 532 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3df0 h ASP 532 CO 0.47 0.00 -0.22 1.23 -1.57 0.00 0.00 179.24 179.15 3df0 h GLY 533 N 1.79 -0.64 0.27 2.75 0.00 -1.98 0.25 103.07 105.51 3df0 h GLY 533 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 47.33 47.67 3df0 h GLY 533 CO 0.00 -0.23 0.14 0.74 0.00 0.00 0.00 176.54 177.19 3df0 h PHE 534 N -1.08 0.22 -0.61 5.60 0.05 -1.94 0.43 116.94 119.62 3df0 h PHE 534 Ca -0.06 0.03 0.11 0.00 3.82 0.00 0.00 57.97 61.87 3df0 h PHE 534 Cb 0.54 -0.01 -0.08 0.00 2.00 0.00 0.00 35.95 38.40 3df0 h PHE 534 CO 0.01 -0.00 0.18 0.00 -0.18 0.00 0.00 178.31 178.33 3df0 h ARG 535 N 0.28 0.32 -0.11 1.51 3.08 -0.16 0.37 114.38 119.66 3df0 h ARG 535 Ca 0.29 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 60.09 3df0 h ARG 535 Cb 0.41 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.40 3df0 h ARG 535 CO -0.36 0.21 -0.84 0.00 -1.07 0.00 0.00 179.97 177.91 3df0 h ARG 536 N 0.33 0.76 0.00 0.04 3.08 -0.24 -3.29 114.38 115.06 3df0 h ARG 536 Ca 0.31 -0.66 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 3df0 h ARG 536 Cb 0.44 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3df0 h ARG 536 CO -0.36 1.26 -0.54 -0.07 -1.07 0.00 0.00 179.97 179.19 3df0 h LEU 537 N 0.50 0.00 0.21 3.04 4.07 0.65 -2.99 115.31 120.79 3df0 h LEU 537 Ca -0.07 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.90 3df0 h LEU 537 Cb 1.48 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.19 3df0 h LEU 537 CO 0.17 0.54 -0.28 0.15 -1.08 0.00 0.00 178.44 177.95 3df0 h PHE 538 N 0.00 -0.74 -0.90 1.13 3.57 -0.39 -2.82 116.94 116.79 3df0 h PHE 538 Ca -0.01 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.73 3df0 h PHE 538 Cb 1.25 0.30 -0.13 0.00 2.79 0.00 0.00 35.95 40.16 3df0 h PHE 538 CO 0.00 -0.39 0.37 0.00 -2.23 0.00 0.00 178.31 176.06 3df0 h ALA 539 N 0.10 1.43 0.32 2.41 0.00 -1.59 -2.25 119.26 119.69 3df0 h ALA 539 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3df0 h ALA 539 Cb 0.53 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3df0 h ALA 539 CO -0.10 -0.38 -0.19 1.96 0.00 0.00 0.00 179.25 180.54 3df0 h GLN 540 N 0.36 -0.46 -0.22 0.00 7.50 -1.49 -3.30 115.11 117.50 3df0 h GLN 540 Ca 0.57 0.03 -0.08 0.00 0.50 0.00 0.00 58.65 59.67 3df0 h GLN 540 Cb 1.10 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.72 3df0 h GLN 540 CO -0.55 -0.31 -0.20 -0.07 -1.50 0.00 0.00 178.83 176.20 3df0 h LEU 541 N -0.48 0.37 0.03 1.46 3.38 -1.20 -3.04 115.31 115.84 3df0 h LEU 541 Ca -0.04 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3df0 h LEU 541 Cb 0.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3df0 h LEU 541 CO 0.05 0.59 -0.07 0.00 0.09 0.00 0.00 178.44 179.10 3df0 h ALA 542 N 1.45 -0.10 -0.31 1.53 0.00 -1.54 -3.48 119.26 116.81 3df0 h ALA 542 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3df0 h ALA 542 Cb 0.56 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3df0 h ALA 542 CO 0.04 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.13 3df0 n GLY 543 N -1.18 0.98 0.36 0.00 0.00 -1.15 -4.42 105.19 99.78 3df0 n GLY 543 Ca -0.07 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 3df0 n GLY 543 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3df0 h GLU 544 N 0.00 -0.86 0.00 1.61 4.11 -1.93 -3.11 114.58 114.40 3df0 h GLU 544 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3df0 h GLU 544 Cb 0.00 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3df0 h GLU 544 CO 0.00 -0.57 0.00 -0.40 0.07 0.00 0.00 179.01 178.11 3df0 n ASP 545 N -4.81 0.00 0.00 3.06 5.75 -1.26 -4.80 116.55 114.49 3df0 n ASP 545 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 3df0 n ASP 545 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3df0 n ASP 545 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3df0 n ALA 546 N -0.98 0.00 -1.84 2.12 0.00 -1.18 -4.83 120.51 113.80 3df0 n ALA 546 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3df0 n ALA 546 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3df0 n ALA 546 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3df0 s GLU 547 N 0.00 4.04 -0.32 0.00 2.02 -1.26 -4.76 118.70 118.40 3df0 s GLU 547 Ca 0.00 1.00 -0.26 0.00 0.02 0.00 0.00 54.97 55.73 3df0 s GLU 547 Cb 0.00 -2.16 0.01 0.00 0.10 0.00 0.00 34.13 32.08 3df0 s GLU 547 CO 0.00 -0.19 0.93 0.42 0.02 0.00 0.00 175.26 176.44 3df0 s ILE 548 N -2.48 4.64 1.16 -1.63 1.01 0.86 -4.74 121.20 120.02 3df0 s ILE 548 Ca 0.60 1.39 -0.17 0.00 0.00 0.00 0.00 60.65 62.48 3df0 s ILE 548 Cb -0.10 -4.29 0.26 0.00 0.01 0.00 0.00 42.46 38.35 3df0 s ILE 548 CO 0.25 -0.40 1.07 -0.94 0.00 0.00 0.00 174.94 174.93 3df0 s SER 549 N 1.69 1.24 0.10 3.58 1.04 -1.26 -1.61 113.70 118.48 3df0 s SER 549 Ca 0.39 0.93 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 3df0 s SER 549 Cb -0.13 -1.40 -0.14 0.00 0.10 0.00 0.00 66.02 64.45 3df0 s SER 549 CO 0.15 -3.96 1.32 0.00 0.98 0.00 0.00 173.24 171.73 3df0 h ALA 550 N -2.46 0.33 0.00 5.32 0.00 -1.90 -1.98 119.26 118.57 3df0 h ALA 550 Ca -0.50 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 53.81 3df0 h ALA 550 Cb 1.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3df0 h ALA 550 CO 0.44 0.62 -0.22 0.74 0.00 0.00 0.00 179.25 180.83 3df0 h PHE 551 N 0.51 0.00 -0.09 0.00 -1.00 -1.95 -2.62 116.94 111.79 3df0 h PHE 551 Ca -0.03 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.63 3df0 h PHE 551 Cb 1.28 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.85 3df0 h PHE 551 CO 0.09 0.22 -0.42 0.93 -1.61 0.00 0.00 178.31 177.52 3df0 h GLU 552 N 0.00 0.45 0.00 1.51 5.08 -1.86 -3.06 114.58 116.70 3df0 h GLU 552 Ca -0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3df0 h GLU 552 Cb 0.51 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 3df0 h GLU 552 CO 0.03 0.99 -0.05 1.25 -1.00 0.00 0.00 179.01 180.22 3df0 h LEU 553 N 0.02 0.00 -0.06 1.33 5.85 -1.18 -2.41 115.31 118.85 3df0 h LEU 553 Ca -0.03 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 3df0 h LEU 553 Cb 1.06 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.10 3df0 h LEU 553 CO 0.09 0.05 -0.49 -0.61 -0.34 0.00 0.00 178.44 177.14 3df0 h GLN 554 N 0.00 0.44 -0.78 1.25 4.15 -1.40 -0.92 115.11 117.86 3df0 h GLN 554 Ca -0.00 -0.39 0.12 0.00 0.77 0.00 0.00 58.65 59.15 3df0 h GLN 554 Cb 0.19 0.09 -0.08 0.00 0.21 0.00 0.00 27.48 27.89 3df0 h GLN 554 CO 0.01 1.04 0.39 1.15 -1.93 0.00 0.00 178.83 179.48 3df0 h THR 555 N -0.02 0.79 -0.07 2.39 2.02 -1.37 -1.50 112.91 115.14 3df0 h THR 555 Ca -0.04 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3df0 h THR 555 Cb 1.16 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3df0 h THR 555 CO 0.10 0.11 0.03 0.40 0.37 0.00 0.00 175.52 176.53 3df0 h ILE 556 N 0.61 1.09 0.00 3.11 2.04 -1.21 -2.31 117.51 120.83 3df0 h ILE 556 Ca 0.40 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 3df0 h ILE 556 Cb 0.50 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3df0 h ILE 556 CO -0.32 0.08 -0.14 -0.07 0.00 0.00 0.00 178.15 177.70 3df0 h LEU 557 N 0.01 0.00 0.06 1.44 3.38 -0.55 -2.10 115.31 117.54 3df0 h LEU 557 Ca 0.02 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 3df0 h LEU 557 Cb 0.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 3df0 h LEU 557 CO -0.00 0.14 -1.04 -0.09 0.09 0.00 0.00 178.44 177.54 3df0 h ARG 558 N 0.00 0.60 0.33 1.13 2.43 -1.11 -1.84 114.38 115.93 3df0 h ARG 558 Ca -0.00 -0.73 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 3df0 h ARG 558 Cb 0.28 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3df0 h ARG 558 CO 0.02 1.31 -0.44 -0.09 -1.51 0.00 0.00 179.97 179.26 3df0 h ARG 559 N 0.22 -0.79 -0.82 0.20 9.65 -0.94 0.23 114.38 122.12 3df0 h ARG 559 Ca -0.15 0.05 0.10 0.00 -1.10 0.00 0.00 59.98 58.89 3df0 h ARG 559 Cb 1.72 0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 30.42 3df0 h ARG 559 CO 0.20 -0.53 0.54 -0.24 2.80 0.00 0.00 179.97 182.74 3df0 h VAL 560 N -0.82 0.93 -0.45 0.20 3.04 -1.44 0.14 116.25 117.85 3df0 h VAL 560 Ca -0.02 -0.25 -0.05 0.00 -1.01 0.00 0.00 66.70 65.36 3df0 h VAL 560 Cb 0.76 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.14 3df0 h VAL 560 CO -0.13 0.13 0.06 0.25 -1.01 0.00 0.00 177.57 176.88 3df0 h LEU 561 N 0.74 0.65 -2.47 3.16 5.85 -0.32 0.21 115.31 123.12 3df0 h LEU 561 Ca 0.39 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3df0 h LEU 561 Cb 0.49 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3df0 h LEU 561 CO -0.15 0.68 0.00 0.00 -0.34 0.00 0.00 178.44 178.62 3df0 n ALA 562 N -2.47 2.75 -0.09 1.25 0.00 0.68 -4.08 120.51 118.55 3df0 n ALA 562 Ca 0.03 -1.20 -0.18 0.00 0.00 0.00 0.00 53.44 52.08 3df0 n ALA 562 Cb 0.24 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 3df0 n ALA 562 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3df0 n LYS 563 N 1.06 0.41 -2.70 0.00 4.76 -0.09 -4.99 118.16 116.61 3df0 n LYS 563 Ca 0.21 0.16 -0.42 0.00 -2.87 0.00 0.00 58.31 55.38 3df0 n LYS 563 Cb 0.66 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 32.61 3df0 n LYS 563 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3df0 s ARG 564 N -2.34 4.47 -0.03 1.97 1.81 0.53 -4.94 118.95 120.41 3df0 s ARG 564 Ca -0.26 1.40 -0.20 0.00 -1.72 0.00 0.00 55.73 54.95 3df0 s ARG 564 Cb 0.09 -3.52 -0.14 0.00 -0.45 0.00 0.00 34.95 30.94 3df0 s ARG 564 CO 0.35 -0.23 0.87 1.49 -0.68 0.00 0.00 175.30 177.10 3df0 h GLU 565 N 7.00 -0.37 0.00 3.54 4.22 -1.90 -3.43 114.58 123.65 3df0 h GLU 565 Ca -0.34 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.12 3df0 h GLU 565 Cb 1.17 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3df0 h GLU 565 CO 0.82 -0.04 0.00 -0.40 -2.18 0.00 0.00 179.01 177.21 3df0 n ASP 566 N -5.04 0.00 -3.35 1.04 5.75 -1.26 -4.71 116.55 108.97 3df0 n ASP 566 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.58 3df0 n ASP 566 Cb 0.25 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.36 3df0 n ASP 566 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3df0 n ILE 567 N -0.61 -7.75 -1.70 2.12 5.41 -1.25 -4.91 119.36 110.66 3df0 n ILE 567 Ca 0.00 -0.40 -0.43 0.00 1.00 0.00 0.00 62.75 62.92 3df0 n ILE 567 Cb 0.00 -5.52 -0.02 0.00 -0.71 0.00 0.00 39.64 33.39 3df0 n ILE 567 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3df0 n LYS 568 N -2.49 2.19 -3.76 0.38 0.00 -0.57 -4.88 118.16 109.04 3df0 n LYS 568 Ca -0.10 0.78 -0.13 0.00 0.00 0.00 0.00 58.31 58.86 3df0 n LYS 568 Cb 0.57 -2.42 -0.10 0.00 0.00 0.00 0.00 35.03 33.08 3df0 n LYS 568 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3df0 s SER 569 N 0.07 -0.31 0.58 3.14 0.15 -1.26 -1.73 113.70 114.33 3df0 s SER 569 Ca 0.62 0.54 0.32 0.00 0.70 0.00 0.00 55.95 58.13 3df0 s SER 569 Cb -0.59 0.60 1.78 0.00 -1.71 0.00 0.00 66.02 66.10 3df0 s SER 569 CO 0.55 -0.19 2.20 -0.78 1.20 0.00 0.00 173.24 176.22 3df0 h ASP 570 N 5.25 0.00 -1.63 5.45 1.82 -1.95 -3.49 116.42 121.86 3df0 h ASP 570 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 3df0 h ASP 570 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 3df0 h ASP 570 CO 0.32 0.04 0.00 0.61 -1.61 0.00 0.00 179.24 178.60 3df0 n GLY 571 N -0.99 2.62 3.59 -0.78 0.00 -1.26 -5.03 105.19 103.34 3df0 n GLY 571 Ca -0.02 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 3df0 n GLY 571 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df0 s PHE 572 N -1.33 3.09 0.68 1.61 0.40 -1.26 -4.91 117.98 116.27 3df0 s PHE 572 Ca 0.00 0.62 -0.13 0.00 -0.60 0.00 0.00 56.93 56.81 3df0 s PHE 572 Cb 0.00 -3.51 0.01 0.00 0.51 0.00 0.00 43.02 40.03 3df0 s PHE 572 CO 0.00 -0.78 1.09 -1.54 0.70 0.00 0.00 175.22 174.68 3df0 s SER 573 N 1.87 5.09 0.29 1.36 1.04 -1.26 -4.94 113.70 117.15 3df0 s SER 573 Ca 0.34 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.64 3df0 s SER 573 Cb -0.13 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.90 3df0 s SER 573 CO 0.18 -1.64 1.81 -0.29 0.98 0.00 0.00 173.24 174.29 3df0 h ILE 574 N -0.33 1.22 -0.01 -1.02 6.09 -1.97 -2.49 117.51 119.02 3df0 h ILE 574 Ca -0.45 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.16 3df0 h ILE 574 Cb 1.23 0.84 -0.00 0.00 0.47 0.00 0.00 36.82 39.36 3df0 h ILE 574 CO 0.54 0.31 0.02 -0.33 -3.07 0.00 0.00 178.15 175.63 3df0 h GLU 575 N 0.68 0.00 0.06 2.19 4.39 -2.00 -1.56 114.58 118.34 3df0 h GLU 575 Ca 0.14 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.59 3df0 h GLU 575 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3df0 h GLU 575 CO 0.01 0.00 -1.34 1.15 -1.16 0.00 0.00 179.01 177.67 3df0 h THR 576 N 0.00 0.97 -0.86 1.13 2.02 -1.83 -3.27 112.91 111.07 3df0 h THR 576 Ca 0.00 -2.30 0.04 0.00 0.77 0.00 0.00 66.41 64.93 3df0 h THR 576 Cb 0.05 2.53 -0.05 0.00 -1.74 0.00 0.00 68.15 68.94 3df0 h THR 576 CO -0.00 0.57 0.55 0.00 0.37 0.00 0.00 175.52 177.01 3df0 h LYS 578 N 1.06 0.42 -0.74 0.00 1.57 -1.46 -0.06 116.57 117.37 3df0 h LYS 578 Ca 0.35 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.18 3df0 h LYS 578 Cb 0.04 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 3df0 h LYS 578 CO -0.13 0.28 0.49 0.82 -0.57 0.00 0.00 179.45 180.34 3df0 h ILE 579 N 0.44 1.00 -0.31 1.86 2.04 -1.44 -0.39 117.51 120.71 3df0 h ILE 579 Ca 0.24 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 3df0 h ILE 579 Cb 0.20 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3df0 h ILE 579 CO -0.20 0.14 -0.32 0.24 0.00 0.00 0.00 178.15 178.01 3df0 h MET 580 N 0.74 0.66 0.63 2.37 2.86 0.16 -3.20 114.93 119.16 3df0 h MET 580 Ca 0.33 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3df0 h MET 580 Cb 0.31 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.97 3df0 h MET 580 CO -0.11 0.89 -0.30 0.28 1.06 0.00 0.00 176.91 178.73 3df0 h VAL 581 N 0.56 0.05 0.00 -2.22 2.07 -0.67 -3.17 116.25 112.87 3df0 h VAL 581 Ca 0.06 -0.37 -0.43 0.00 0.82 0.00 0.00 66.70 66.78 3df0 h VAL 581 Cb 0.82 0.07 0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3df0 h VAL 581 CO 0.07 0.01 2.26 0.47 0.02 0.00 0.00 177.57 180.40 3df0 n ASP 582 N -5.34 3.39 0.00 0.57 8.00 -0.22 -0.29 116.55 122.65 3df0 n ASP 582 Ca -0.11 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 52.99 3df0 n ASP 582 Cb 0.34 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 3df0 n ASP 582 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3df0 n MET 583 N 5.35 0.00 -0.38 -1.24 1.56 -1.21 -4.80 117.12 116.40 3df0 n MET 583 Ca 0.41 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.91 3df0 n MET 583 Cb 0.21 -0.00 0.23 0.00 2.15 0.00 0.00 33.22 35.81 3df0 n MET 583 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 3df0 n LEU 584 N -1.95 3.66 -2.89 -0.89 7.99 0.60 -4.67 117.00 118.85 3df0 n LEU 584 Ca 0.00 -2.64 -0.33 0.00 -0.01 0.00 0.00 56.01 53.03 3df0 n LEU 584 Cb 0.00 -0.44 -0.03 0.00 -0.11 0.00 0.00 43.42 42.84 3df0 n LEU 584 CO 0.00 0.70 1.79 -0.67 -1.51 0.00 0.00 177.39 177.70 3df0 n ASP 585 N -0.05 7.08 -0.22 -1.43 2.03 0.19 -4.68 116.55 119.48 3df0 n ASP 585 Ca 0.18 -3.30 0.02 0.00 0.52 0.00 0.00 54.79 52.22 3df0 n ASP 585 Cb 0.74 -1.24 0.13 0.00 -0.72 0.00 0.00 41.12 40.03 3df0 n ASP 585 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3df0 h GLU 586 N 3.51 0.31 -0.14 -0.67 4.11 -1.87 -2.07 114.58 117.76 3df0 h GLU 586 Ca 0.51 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.85 3df0 h GLU 586 Cb 0.50 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3df0 h GLU 586 CO 1.12 0.21 -0.23 0.38 0.07 0.00 0.00 179.01 180.57 3df0 h ASP 587 N 0.32 0.24 0.00 3.06 -0.00 -1.98 -3.47 116.42 114.59 3df0 h ASP 587 Ca 0.35 -0.07 0.00 0.00 -0.00 0.00 0.00 57.03 57.31 3df0 h ASP 587 Cb 0.52 -0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 3df0 h ASP 587 CO -0.40 0.48 0.00 0.61 -0.00 0.00 0.00 179.24 179.93 3df0 n GLY 588 N -0.63 3.02 3.21 7.15 0.00 -0.78 -5.12 105.19 112.04 3df0 n GLY 588 Ca -0.01 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 3df0 n GLY 588 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3df0 n SER 589 N 0.00 -3.86 -0.34 1.61 3.41 -1.26 -4.88 113.62 108.30 3df0 n SER 589 Ca 0.00 0.23 0.20 0.00 -0.26 0.00 0.00 58.87 59.04 3df0 n SER 589 Cb 0.00 -0.97 0.44 0.00 -0.26 0.00 0.00 64.21 63.42 3df0 n SER 589 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3df0 h GLY 590 N -1.32 1.62 -0.16 5.00 0.00 -2.00 -3.46 103.07 102.76 3df0 h GLY 590 Ca -0.44 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.44 3df0 h GLY 590 CO 0.29 -0.20 -0.14 0.28 0.00 0.00 0.00 176.54 176.77 3df0 n LYS 591 N -4.78 1.27 -3.74 4.80 5.02 -1.26 -4.84 118.16 114.64 3df0 n LYS 591 Ca 0.26 -1.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.11 3df0 n LYS 591 Cb 0.81 0.41 -0.12 0.00 -0.02 0.00 0.00 35.03 36.11 3df0 n LYS 591 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3df0 s LEU 592 N 0.00 4.13 0.76 -0.35 2.96 -0.63 -4.88 118.68 120.67 3df0 s LEU 592 Ca 0.03 -0.90 -0.08 0.00 -0.22 0.00 0.00 54.13 52.96 3df0 s LEU 592 Cb 0.00 -1.89 0.10 0.00 0.50 0.00 0.00 46.19 44.90 3df0 s LEU 592 CO 0.02 -0.27 1.08 -0.83 -1.32 0.00 0.00 176.35 175.04 3df0 s GLY 593 N 1.47 1.71 0.00 7.98 0.00 -1.26 -0.10 107.32 117.12 3df0 s GLY 593 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.65 3df0 s GLY 593 CO 0.03 -0.57 0.71 -0.10 0.00 0.00 0.00 173.10 173.16 3df0 n LEU 594 N -3.10 0.00 -0.33 0.66 0.00 -1.26 0.23 117.00 113.20 3df0 n LEU 594 Ca 0.10 0.71 -0.03 0.00 0.00 0.00 0.00 56.01 56.79 3df0 n LEU 594 Cb 0.60 -0.21 0.02 0.00 0.00 0.00 0.00 43.42 43.84 3df0 n LEU 594 CO 0.50 -0.21 0.59 0.50 0.00 0.00 0.00 177.39 178.77 3df0 h LYS 595 N 0.00 -0.05 -0.46 1.96 3.64 -1.97 2.15 116.57 121.84 3df0 h LYS 595 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3df0 h LYS 595 Cb 0.00 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 3df0 h LYS 595 CO 0.00 -0.03 -0.05 0.93 -2.27 0.00 0.00 179.45 178.03 3df0 h GLU 596 N -0.05 0.06 -0.27 1.90 5.08 -1.58 -0.76 114.58 118.95 3df0 h GLU 596 Ca 0.30 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.47 3df0 h GLU 596 Cb 0.58 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3df0 h GLU 596 CO -0.90 0.04 -0.57 0.35 -1.00 0.00 0.00 179.01 176.92 3df0 h PHE 597 N 0.06 1.09 -0.96 4.33 3.57 0.61 -2.43 116.94 123.21 3df0 h PHE 597 Ca 0.23 -0.40 0.08 0.00 3.53 0.00 0.00 57.97 61.41 3df0 h PHE 597 Cb 0.35 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 3df0 h PHE 597 CO -0.34 1.23 0.61 -0.92 -2.23 0.00 0.00 178.31 176.66 3df0 h TYR 598 N 0.65 1.12 -0.12 0.41 3.20 0.37 0.11 116.97 122.71 3df0 h TYR 598 Ca 0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3df0 h TYR 598 Cb 1.19 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 3df0 h TYR 598 CO 0.07 0.54 0.03 0.82 -1.64 0.00 0.00 178.16 177.99 3df0 h ILE 599 N 1.07 1.19 -0.54 1.81 2.04 -1.12 -2.40 117.51 119.56 3df0 h ILE 599 Ca 0.43 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.81 3df0 h ILE 599 Cb 0.24 1.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.60 3df0 h ILE 599 CO -0.20 0.17 0.11 0.25 0.00 0.00 0.00 178.15 178.49 3df0 h LEU 600 N -0.00 0.01 -0.17 1.44 5.85 -0.69 -1.84 115.31 119.90 3df0 h LEU 600 Ca 0.04 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3df0 h LEU 600 Cb 0.24 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3df0 h LEU 600 CO -0.00 0.03 0.10 -0.25 -0.34 0.00 0.00 178.44 177.97 3df0 h TRP 601 N 0.25 0.22 -0.11 1.25 2.91 -0.77 -1.59 115.95 118.10 3df0 h TRP 601 Ca 0.27 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.32 3df0 h TRP 601 Cb 0.38 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 28.95 3df0 h TRP 601 CO -0.23 0.19 0.14 1.15 -1.03 0.00 0.00 178.44 178.66 3df0 h THR 602 N 0.18 0.45 0.10 2.65 2.02 -0.89 0.30 112.91 117.73 3df0 h THR 602 Ca 0.06 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.09 3df0 h THR 602 Cb 0.04 0.89 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3df0 h THR 602 CO -0.01 0.00 -0.66 0.50 0.37 0.00 0.00 175.52 175.72 3df0 h LYS 603 N 0.00 0.22 -0.12 6.66 3.64 -0.70 -2.83 116.57 123.44 3df0 h LYS 603 Ca 0.05 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 58.99 3df0 h LYS 603 Cb 0.33 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3df0 h LYS 603 CO -0.00 1.18 -0.21 0.82 -2.27 0.00 0.00 179.45 178.97 3df0 h ILE 604 N -0.53 1.21 -0.77 2.00 2.04 -0.35 -0.63 117.51 120.48 3df0 h ILE 604 Ca -0.12 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 64.83 3df0 h ILE 604 Cb 1.49 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 3df0 h ILE 604 CO 0.11 0.29 0.46 1.56 0.00 0.00 0.00 178.15 180.57 3df0 h GLN 605 N 0.18 0.84 0.08 2.37 4.20 -0.47 -2.69 115.11 119.61 3df0 h GLN 605 Ca 0.03 -0.05 -0.29 0.00 0.06 0.00 0.00 58.65 58.40 3df0 h GLN 605 Cb 0.48 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3df0 h GLN 605 CO 0.03 0.55 -1.52 -0.22 -0.67 0.00 0.00 178.83 177.01 3df0 h LYS 606 N 0.86 0.16 -0.00 1.46 3.64 -1.19 -1.40 116.57 120.10 3df0 h LYS 606 Ca 0.33 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3df0 h LYS 606 Cb 0.14 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3df0 h LYS 606 CO -0.16 0.97 0.00 1.88 -2.27 0.00 0.00 179.45 179.88 3df0 h TYR 607 N 0.04 0.00 0.05 1.91 0.05 -1.13 -1.61 116.97 116.28 3df0 h TYR 607 Ca -0.23 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.32 3df0 h TYR 607 Cb 1.98 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.70 3df0 h TYR 607 CO 0.04 0.00 -1.22 0.37 -1.05 0.00 0.00 178.16 176.30 3df0 h GLN 608 N 0.00 0.10 -0.43 4.88 -0.00 -1.30 -2.83 115.11 115.54 3df0 h GLN 608 Ca 0.00 -0.17 0.09 0.00 -0.00 0.00 0.00 58.65 58.57 3df0 h GLN 608 Cb 0.01 0.06 -0.09 0.00 0.00 0.00 0.00 27.48 27.47 3df0 h GLN 608 CO -0.00 1.08 -0.16 -0.22 0.00 0.00 0.00 178.83 179.54 3df0 h LYS 609 N -0.68 -0.06 0.28 1.69 3.64 -0.98 0.16 116.57 120.62 3df0 h LYS 609 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3df0 h LYS 609 Cb 1.48 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.29 3df0 h LYS 609 CO -0.07 -0.04 -0.34 0.82 -2.27 0.00 0.00 179.45 177.55 3df0 h ILE 610 N -0.06 0.29 -0.42 2.00 1.08 -1.44 0.31 117.51 119.26 3df0 h ILE 610 Ca 0.21 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.76 3df0 h ILE 610 Cb 0.38 0.29 -0.08 0.00 -3.07 0.00 0.00 36.82 34.35 3df0 h ILE 610 CO -0.48 0.00 -0.11 0.22 -0.69 0.00 0.00 178.15 177.09 3df0 h TYR 611 N -0.67 -0.23 0.14 1.37 5.03 -1.23 0.46 116.97 121.84 3df0 h TYR 611 Ca -0.01 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 3df0 h TYR 611 Cb 0.63 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.07 3df0 h TYR 611 CO -0.23 -0.19 -0.16 0.00 -1.32 0.00 0.00 178.16 176.27 3df0 h ARG 612 N -0.01 -0.29 -0.81 1.82 2.47 -0.51 -1.32 114.38 115.73 3df0 h ARG 612 Ca 0.20 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.04 3df0 h ARG 612 Cb 0.31 0.07 -0.06 0.00 -1.65 0.00 0.00 29.97 28.64 3df0 h ARG 612 CO -0.44 -0.20 0.53 0.93 0.56 0.00 0.00 179.97 181.36 3df0 h GLU 613 N -0.30 0.74 -0.00 0.04 5.08 0.46 0.10 114.58 120.70 3df0 h GLU 613 Ca -0.02 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 3df0 h GLU 613 Cb 0.27 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3df0 h GLU 613 CO -0.03 0.49 -0.72 0.82 -1.00 0.00 0.00 179.01 178.57 3df0 h ILE 614 N 0.77 1.51 -0.47 3.13 1.08 -0.15 -3.40 117.51 119.97 3df0 h ILE 614 Ca 0.37 -2.45 -0.62 0.00 -0.39 0.00 0.00 64.86 61.77 3df0 h ILE 614 Cb 0.42 2.32 -0.05 0.00 -3.07 0.00 0.00 36.82 36.45 3df0 h ILE 614 CO -0.14 0.70 2.23 -0.67 -0.69 0.00 0.00 178.15 179.57 3df0 n ASP 615 N -3.69 4.03 -0.11 1.72 2.03 0.35 -4.69 116.55 116.19 3df0 n ASP 615 Ca -0.01 -2.83 0.15 0.00 0.52 0.00 0.00 54.79 52.62 3df0 n ASP 615 Cb 0.70 -1.65 0.74 0.00 -0.72 0.00 0.00 41.12 40.19 3df0 n ASP 615 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3df0 n VAL 616 N 6.31 0.00 -0.39 5.18 0.24 -1.26 -2.12 118.33 126.28 3df0 n VAL 616 Ca 0.49 -0.06 0.05 0.00 -2.04 0.00 0.00 64.34 62.79 3df0 n VAL 616 Cb 0.44 -0.21 0.14 0.00 -1.47 0.00 0.00 33.84 32.74 3df0 n VAL 616 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3df0 n ASP 617 N -0.87 2.89 -0.70 -1.34 5.75 -1.26 -5.00 116.55 116.02 3df0 n ASP 617 Ca 0.18 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 3df0 n ASP 617 Cb 0.23 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3df0 n ASP 617 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3df0 n ARG 618 N -0.09 -1.27 -0.54 0.11 1.74 -0.90 -4.76 116.66 110.95 3df0 n ARG 618 Ca 0.12 0.00 0.44 0.00 -0.77 0.00 0.00 57.85 57.64 3df0 n ARG 618 Cb 0.51 -3.51 0.73 0.00 -1.02 0.00 0.00 32.46 29.17 3df0 n ARG 618 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3df0 h SER 619 N 0.00 0.14 0.00 0.55 4.64 -1.95 -3.44 113.55 113.49 3df0 h SER 619 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3df0 h SER 619 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3df0 h SER 619 CO 0.00 -0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 3df0 n GLY 620 N -1.67 0.63 3.21 -0.77 0.00 -1.26 -4.69 105.19 100.65 3df0 n GLY 620 Ca 0.41 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 3df0 n GLY 620 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3df0 s THR 621 N -2.00 0.11 -0.36 2.61 -4.23 -1.26 -1.51 115.64 109.00 3df0 s THR 621 Ca 0.00 -0.91 -0.13 0.00 -1.18 0.00 0.00 61.69 59.48 3df0 s THR 621 Cb 0.00 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.78 3df0 s THR 621 CO 0.00 -0.50 0.24 -0.04 -0.54 0.00 0.00 174.62 173.78 3df0 s MET 622 N -3.02 3.24 0.91 3.99 1.00 -0.43 -4.91 119.30 120.07 3df0 s MET 622 Ca -0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 55.69 54.71 3df0 s MET 622 Cb 0.01 -3.82 0.16 0.00 0.00 0.00 0.00 34.83 31.18 3df0 s MET 622 CO -0.06 -0.56 1.27 0.54 0.00 0.00 0.00 175.02 176.20 3df0 s ASN 623 N 1.68 3.58 0.06 3.03 2.20 -1.26 -0.93 114.94 123.29 3df0 s ASN 623 Ca 0.05 0.42 -0.14 0.00 -0.94 0.00 0.00 52.86 52.25 3df0 s ASN 623 Cb -0.18 -0.61 -0.04 0.00 -2.00 0.00 0.00 41.25 38.42 3df0 s ASN 623 CO 0.09 -2.45 1.24 0.28 -2.94 0.00 0.00 177.10 173.32 3df0 h SER 624 N -1.44 -0.86 -0.23 3.54 0.02 -1.95 -0.59 113.55 112.05 3df0 h SER 624 Ca -0.45 0.12 0.06 0.00 -0.84 0.00 0.00 61.79 60.68 3df0 h SER 624 Cb 1.26 0.36 -0.07 0.00 0.14 0.00 0.00 62.40 64.10 3df0 h SER 624 CO 0.47 -0.15 -0.23 0.22 -1.14 0.00 0.00 176.83 175.99 3df0 h TYR 625 N -0.12 -0.62 -0.77 3.45 3.20 -1.94 -1.83 116.97 118.36 3df0 h TYR 625 Ca 0.04 0.04 0.14 0.00 3.14 0.00 0.00 58.73 62.09 3df0 h TYR 625 Cb 0.23 0.31 -0.09 0.00 1.54 0.00 0.00 36.73 38.72 3df0 h TYR 625 CO -0.76 -0.31 0.32 0.93 -1.64 0.00 0.00 178.16 176.70 3df0 h GLU 626 N -0.25 0.46 0.61 1.82 5.08 -1.80 -1.97 114.58 118.53 3df0 h GLU 626 Ca 0.13 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3df0 h GLU 626 Cb 0.45 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3df0 h GLU 626 CO -0.37 0.31 -0.49 1.98 -1.00 0.00 0.00 179.01 179.44 3df0 h MET 627 N 0.48 -1.03 -0.86 2.33 4.05 -0.27 0.42 114.93 120.05 3df0 h MET 627 Ca 0.42 0.07 0.25 0.00 -0.28 0.00 0.00 59.70 60.15 3df0 h MET 627 Cb 0.62 0.23 -0.16 0.00 -0.80 0.00 0.00 31.60 31.49 3df0 h MET 627 CO -0.39 -0.69 0.05 -2.13 0.23 0.00 0.00 176.91 173.98 3df0 n ARG 628 N -5.58 -0.07 0.08 0.39 0.00 -0.99 -0.23 116.66 110.26 3df0 n ARG 628 Ca -0.13 1.28 -0.05 0.00 -0.00 0.00 0.00 57.85 58.95 3df0 n ARG 628 Cb 0.47 -2.05 -0.06 0.00 0.00 0.00 0.00 32.46 30.82 3df0 n ARG 628 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3df0 h LYS 629 N 0.00 0.00 -0.05 -0.14 1.79 -0.39 -2.77 116.57 115.01 3df0 h LYS 629 Ca 0.54 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.98 3df0 h LYS 629 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 3df0 h LYS 629 CO -0.80 0.87 -0.09 0.00 -1.08 0.00 0.00 179.45 178.36 3df0 h ALA 630 N 1.13 0.07 -0.47 3.86 0.00 0.23 -1.34 119.26 122.74 3df0 h ALA 630 Ca -0.01 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.67 3df0 h ALA 630 Cb 1.63 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 3df0 h ALA 630 CO 0.11 -0.08 0.01 -0.07 0.00 0.00 0.00 179.25 179.23 3df0 h LEU 631 N -0.37 -0.17 -0.82 0.00 3.38 -0.69 -0.32 115.31 116.32 3df0 h LEU 631 Ca 0.00 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3df0 h LEU 631 Cb 0.66 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3df0 h LEU 631 CO 0.02 -0.05 0.54 -0.33 0.09 0.00 0.00 178.44 178.71 3df0 h GLU 632 N 0.13 1.09 0.00 1.13 5.08 -1.50 -1.63 114.58 118.88 3df0 h GLU 632 Ca 0.24 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3df0 h GLU 632 Cb 0.34 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3df0 h GLU 632 CO -0.38 0.72 -0.22 1.49 -1.00 0.00 0.00 179.01 179.63 3df0 h GLU 633 N 1.12 0.00 -0.11 2.33 4.57 -0.52 -1.77 114.58 120.19 3df0 h GLU 633 Ca 0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 3df0 h GLU 633 Cb -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 3df0 h GLU 633 CO -0.06 0.22 0.00 0.00 -1.18 0.00 0.00 179.01 177.98 3df0 n ALA 634 N -2.27 2.54 0.00 2.92 0.00 -0.20 -4.93 120.51 118.58 3df0 n ALA 634 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3df0 n ALA 634 Cb 0.37 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3df0 n ALA 634 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df0 n GLY 635 N 0.96 3.21 3.76 0.00 0.00 -0.67 -4.72 105.19 107.74 3df0 n GLY 635 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3df0 n GLY 635 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3df0 s PHE 636 N -2.92 2.67 -0.30 1.61 0.08 -0.92 -3.79 117.98 114.41 3df0 s PHE 636 Ca 0.00 1.47 -0.02 0.00 0.12 0.00 0.00 56.93 58.49 3df0 s PHE 636 Cb 0.00 -3.56 0.10 0.00 -0.57 0.00 0.00 43.02 38.99 3df0 s PHE 636 CO 0.00 -2.05 0.11 0.21 -0.10 0.00 0.00 175.22 173.39 3df0 s LYS 637 N -2.72 0.49 0.12 0.44 2.20 0.17 -3.77 119.74 116.67 3df0 s LYS 637 Ca 0.66 -0.83 0.08 0.00 -0.36 0.00 0.00 55.97 55.52 3df0 s LYS 637 Cb -0.34 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 3df0 s LYS 637 CO 0.41 -0.99 -0.16 -0.51 -0.36 0.00 0.00 175.35 173.74 3df0 s LEU 638 N 1.82 2.80 0.85 5.43 1.43 -1.26 -2.26 118.68 127.50 3df0 s LEU 638 Ca 0.09 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 3df0 s LEU 638 Cb -0.17 -1.62 0.10 0.00 0.03 0.00 0.00 46.19 44.53 3df0 s LEU 638 CO -0.30 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.39 3df0 s PRO 639 N -2.21 1.61 0.13 1.29 0.04 -1.26 -4.83 135.00 129.77 3df0 s PRO 639 Ca 0.19 0.69 -0.17 0.00 0.04 0.00 0.00 61.00 61.75 3df0 s PRO 639 Cb -0.11 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 3df0 s PRO 639 CO 0.11 -1.96 1.70 0.00 0.04 0.00 0.00 177.00 176.89 3df0 h GLN 641 N 0.41 0.01 0.08 0.00 5.75 -1.97 0.16 115.11 119.54 3df0 h GLN 641 Ca 0.12 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3df0 h GLN 641 Cb 0.12 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3df0 h GLN 641 CO -0.01 0.01 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.06 3df0 h LEU 642 N 0.01 -0.09 -0.92 -2.39 4.07 -1.55 -2.17 115.31 112.27 3df0 h LEU 642 Ca 0.63 -0.52 0.24 0.00 0.08 0.00 0.00 57.88 58.31 3df0 h LEU 642 Cb 1.34 0.02 -0.16 0.00 1.08 0.00 0.00 40.66 42.94 3df0 h LEU 642 CO -0.91 0.55 0.08 0.45 -1.08 0.00 0.00 178.44 177.53 3df0 h HIS 643 N -0.81 0.05 0.00 1.13 3.86 -1.05 0.28 115.15 118.61 3df0 h HIS 643 Ca -0.01 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3df0 h HIS 643 Cb 0.60 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.20 3df0 h HIS 643 CO 0.13 -0.35 0.00 0.37 0.86 0.00 0.00 177.93 178.94 3df0 h GLN 644 N 0.07 0.00 0.14 2.45 -0.00 -0.88 0.18 115.11 117.07 3df0 h GLN 644 Ca 0.55 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.93 3df0 h GLN 644 Cb 1.12 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.60 3df0 h GLN 644 CO -0.81 0.00 -1.35 0.28 0.00 0.00 0.00 178.83 176.95 3df0 h VAL 645 N 0.00 1.13 0.09 2.39 2.07 0.18 -2.85 116.25 119.26 3df0 h VAL 645 Ca 0.00 -2.47 0.02 0.00 0.82 0.00 0.00 66.70 65.08 3df0 h VAL 645 Cb 0.33 2.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.90 3df0 h VAL 645 CO 0.00 0.74 -0.41 0.40 0.02 0.00 0.00 177.57 178.32 3df0 h ILE 646 N -0.22 0.17 -0.06 4.57 1.08 -0.81 -1.05 117.51 121.19 3df0 h ILE 646 Ca -0.28 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.21 3df0 h ILE 646 Cb 1.82 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 3df0 h ILE 646 CO 0.11 0.00 -0.26 0.58 -0.69 0.00 0.00 178.15 177.89 3df0 h VAL 647 N -0.63 0.00 0.00 1.67 2.07 -1.13 0.29 116.25 118.53 3df0 h VAL 647 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3df0 h VAL 647 Cb 0.67 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 3df0 h VAL 647 CO -0.26 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.74 3df0 h ALA 648 N -0.88 1.30 0.00 1.67 0.00 -1.23 -1.95 119.26 118.17 3df0 h ALA 648 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3df0 h ALA 648 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3df0 h ALA 648 CO -0.21 -0.30 -1.53 -2.13 0.00 0.00 0.00 179.25 175.08 3df0 n ARG 649 N -2.13 2.18 -0.10 0.00 3.00 -0.43 -4.64 116.66 114.54 3df0 n ARG 649 Ca -0.01 0.01 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 3df0 n ARG 649 Cb 0.42 -1.20 0.13 0.00 0.00 0.00 0.00 32.46 31.81 3df0 n ARG 649 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3df0 n PHE 650 N -2.40 0.25 -4.43 -0.14 3.72 0.89 -5.01 117.46 110.35 3df0 n PHE 650 Ca -0.14 -0.18 -0.31 0.00 -0.05 0.00 0.00 57.45 56.77 3df0 n PHE 650 Cb 0.74 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 39.16 3df0 n PHE 650 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3df0 s ALA 651 N -1.23 2.87 1.02 4.37 0.00 -0.77 -4.71 121.76 123.32 3df0 s ALA 651 Ca 0.25 -1.16 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 3df0 s ALA 651 Cb 0.15 -0.93 0.14 0.00 0.00 0.00 0.00 23.12 22.48 3df0 s ALA 651 CO 0.21 0.61 0.75 -0.40 0.00 0.00 0.00 175.76 176.94 3df0 n ASP 652 N 1.22 -0.20 -0.10 0.00 5.68 -0.48 -4.82 116.55 117.85 3df0 n ASP 652 Ca -0.15 -1.22 0.02 0.00 -0.50 0.00 0.00 54.79 52.94 3df0 n ASP 652 Cb 0.52 -0.59 0.32 0.00 -1.14 0.00 0.00 41.12 40.24 3df0 n ASP 652 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3df0 h ASP 653 N -1.17 0.66 0.00 -1.12 3.32 -2.00 -0.06 116.42 116.06 3df0 h ASP 653 Ca -0.25 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3df0 h ASP 653 Cb 0.69 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3df0 h ASP 653 CO 0.17 0.51 0.00 -0.62 -1.72 0.00 0.00 179.24 177.58 3df0 n GLU 654 N -4.42 0.96 -3.03 3.56 4.71 -1.26 -4.87 120.64 116.28 3df0 n GLU 654 Ca 0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.06 3df0 n GLU 654 Cb 0.07 -1.14 0.04 0.00 -1.01 0.00 0.00 31.44 29.40 3df0 n GLU 654 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3df0 n LEU 655 N -0.34 -2.67 -4.23 -4.62 7.94 -0.03 -5.00 117.00 108.03 3df0 n LEU 655 Ca 0.00 -0.28 -0.15 0.00 -1.11 0.00 0.00 56.01 54.47 3df0 n LEU 655 Cb 0.07 -1.97 -0.10 0.00 0.53 0.00 0.00 43.42 41.95 3df0 n LEU 655 CO 0.00 0.32 -0.42 0.27 -1.11 0.00 0.00 177.39 176.46 3df0 s ILE 656 N -3.12 1.13 -0.15 1.96 -4.36 -1.24 -3.59 121.20 111.83 3df0 s ILE 656 Ca 0.30 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.77 3df0 s ILE 656 Cb -0.13 -1.70 0.02 0.00 1.25 0.00 0.00 42.46 41.90 3df0 s ILE 656 CO 0.38 -0.67 -0.15 -0.63 0.24 0.00 0.00 174.94 174.11 3df0 s ILE 657 N -3.00 1.60 0.65 8.37 1.09 -0.11 -1.38 121.20 128.43 3df0 s ILE 657 Ca 0.13 -0.66 -0.07 0.00 -1.10 0.00 0.00 60.65 58.95 3df0 s ILE 657 Cb 0.01 -1.50 0.03 0.00 -1.06 0.00 0.00 42.46 39.94 3df0 s ILE 657 CO 0.01 0.46 0.98 1.51 -0.10 0.00 0.00 174.94 177.80 3df0 s ASP 658 N 1.42 5.30 0.23 3.58 3.84 -1.26 -1.31 116.67 128.47 3df0 s ASP 658 Ca 0.04 0.71 -0.06 0.00 -0.00 0.00 0.00 52.55 53.24 3df0 s ASP 658 Cb -0.13 -1.55 0.33 0.00 -1.38 0.00 0.00 42.92 40.18 3df0 s ASP 658 CO -0.10 -1.30 1.82 0.15 -0.00 0.00 0.00 175.17 175.74 3df0 h PHE 659 N -0.41 0.81 0.73 2.11 3.57 -1.59 -1.84 116.94 120.33 3df0 h PHE 659 Ca -0.45 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 3df0 h PHE 659 Cb 1.28 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.77 3df0 h PHE 659 CO 0.43 0.37 -0.35 0.38 -2.23 0.00 0.00 178.31 176.91 3df0 h ASP 660 N 0.79 -0.83 -1.60 0.41 3.04 -1.91 -0.89 116.42 115.42 3df0 h ASP 660 Ca 0.36 0.03 0.50 0.00 -3.24 0.00 0.00 57.03 54.68 3df0 h ASP 660 Cb 0.26 0.22 -0.11 0.00 -1.04 0.00 0.00 39.33 38.66 3df0 h ASP 660 CO -0.21 -0.58 1.10 0.78 -2.04 0.00 0.00 179.24 178.29 3df0 h ASN 661 N -1.02 0.12 -0.43 4.15 4.21 -1.87 0.11 115.58 120.85 3df0 h ASN 661 Ca -0.10 0.08 -0.07 0.00 1.21 0.00 0.00 56.30 57.42 3df0 h ASN 661 Cb 0.75 0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 38.02 3df0 h ASN 661 CO 0.17 -0.12 -0.01 0.15 -1.29 0.00 0.00 177.43 176.32 3df0 h PHE 662 N 0.02 0.83 0.17 1.19 3.57 -0.32 -0.28 116.94 122.12 3df0 h PHE 662 Ca 0.87 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 62.22 3df0 h PHE 662 Cb 3.13 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 41.66 3df0 h PHE 662 CO -0.00 0.83 -0.08 0.28 -2.23 0.00 0.00 178.31 177.10 3df0 h VAL 663 N 0.60 0.90 -0.90 1.41 2.07 0.11 -0.24 116.25 120.20 3df0 h VAL 663 Ca 0.12 -1.04 0.25 0.00 0.82 0.00 0.00 66.70 66.85 3df0 h VAL 663 Cb 0.50 1.46 -0.15 0.00 -1.52 0.00 0.00 31.29 31.58 3df0 h VAL 663 CO 0.02 0.21 0.18 -0.09 0.02 0.00 0.00 177.57 177.91 3df0 h ARG 664 N -0.79 0.13 -0.06 1.57 2.43 -1.11 0.81 114.38 117.36 3df0 h ARG 664 Ca -0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3df0 h ARG 664 Cb 0.52 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3df0 h ARG 664 CO 0.04 0.09 -0.02 0.00 -1.51 0.00 0.00 179.97 178.56 3df0 h LEU 666 N -0.25 0.00 0.49 0.00 4.07 0.54 -2.53 115.31 117.62 3df0 h LEU 666 Ca 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 3df0 h LEU 666 Cb 0.44 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3df0 h LEU 666 CO 0.01 0.29 -0.23 0.58 -1.08 0.00 0.00 178.44 178.01 3df0 h VAL 667 N 0.00 0.48 -0.27 1.22 2.07 0.76 -1.46 116.25 119.05 3df0 h VAL 667 Ca -0.00 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.29 3df0 h VAL 667 Cb 0.55 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3df0 h VAL 667 CO 0.04 0.05 -0.07 -0.09 0.02 0.00 0.00 177.57 177.52 3df0 h ARG 668 N -0.83 -0.00 -0.64 1.57 2.43 -1.08 -0.56 114.38 115.26 3df0 h ARG 668 Ca -0.07 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3df0 h ARG 668 Cb 0.58 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 3df0 h ARG 668 CO 0.11 -0.00 0.16 1.25 -1.51 0.00 0.00 179.97 179.98 3df0 h LEU 669 N -0.00 0.95 0.00 3.80 5.85 -1.53 0.10 115.31 124.47 3df0 h LEU 669 Ca 0.13 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3df0 h LEU 669 Cb 0.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3df0 h LEU 669 CO -0.28 0.91 0.00 1.21 -0.34 0.00 0.00 178.44 179.95 3df0 n GLU 670 N -4.25 0.48 -0.05 1.25 2.13 -0.29 -1.89 120.64 118.02 3df0 n GLU 670 Ca 0.05 0.04 -0.07 0.00 0.66 0.00 0.00 57.16 57.83 3df0 n GLU 670 Cb 0.24 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.43 3df0 n GLU 670 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3df0 n ILE 671 N -1.09 1.36 -0.28 6.31 5.41 -0.51 -3.75 119.36 126.82 3df0 n ILE 671 Ca 0.12 0.18 -0.00 0.00 1.00 0.00 0.00 62.75 64.05 3df0 n ILE 671 Cb 0.09 -2.04 0.06 0.00 -0.71 0.00 0.00 39.64 37.04 3df0 n ILE 671 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3df0 h LEU 672 N -0.64 -0.98 0.45 1.39 4.07 -0.80 0.83 115.31 119.63 3df0 h LEU 672 Ca -0.05 0.25 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 3df0 h LEU 672 Cb 0.72 0.57 0.00 0.00 1.08 0.00 0.00 40.66 43.04 3df0 h LEU 672 CO -0.03 -0.28 -0.22 -0.26 -1.08 0.00 0.00 178.44 176.57 3df0 h PHE 673 N -0.05 -0.57 -0.30 1.13 0.04 -1.63 -0.87 116.94 114.71 3df0 h PHE 673 Ca 0.34 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.16 3df0 h PHE 673 Cb 0.58 0.19 -0.08 0.00 2.20 0.00 0.00 35.95 38.84 3df0 h PHE 673 CO -0.68 -0.35 -0.29 -0.22 -0.60 0.00 0.00 178.31 176.17 3df0 h LYS 674 N -0.62 -0.26 -0.72 1.51 3.64 -1.10 0.21 116.57 119.22 3df0 h LYS 674 Ca -0.06 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.51 3df0 h LYS 674 Cb 0.47 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 3df0 h LYS 674 CO 0.10 -0.17 0.50 0.82 -2.27 0.00 0.00 179.45 178.43 3df0 h ILE 675 N -0.27 0.71 0.16 2.00 2.04 0.65 -3.22 117.51 119.58 3df0 h ILE 675 Ca 0.15 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 3df0 h ILE 675 Cb 0.51 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3df0 h ILE 675 CO -0.45 0.03 -0.08 0.15 0.00 0.00 0.00 178.15 177.81 3df0 h PHE 676 N 0.19 -0.19 -2.56 1.37 3.57 0.86 -3.23 116.94 116.94 3df0 h PHE 676 Ca 0.35 -0.00 -0.58 0.00 3.53 0.00 0.00 57.97 61.27 3df0 h PHE 676 Cb 1.12 0.06 0.19 0.00 2.79 0.00 0.00 35.95 40.11 3df0 h PHE 676 CO -0.00 -0.12 -0.89 1.63 -2.23 0.00 0.00 178.31 176.70 3df0 n LYS 677 N -3.06 0.18 0.00 1.11 5.02 -0.65 -1.55 118.16 119.21 3df0 n LYS 677 Ca -0.03 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3df0 n LYS 677 Cb 0.08 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3df0 n LYS 677 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3df0 n GLN 678 N 0.64 0.00 0.00 1.97 3.00 -1.26 -4.25 117.38 117.48 3df0 n GLN 678 Ca 0.08 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.22 3df0 n GLN 678 Cb 0.49 0.00 0.77 0.00 0.00 0.00 0.00 30.24 31.51 3df0 n GLN 678 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3df0 n LEU 679 N 0.00 0.61 -2.78 1.08 7.94 -0.60 -4.43 117.00 118.82 3df0 n LEU 679 Ca 0.00 -0.20 -0.10 0.00 -1.11 0.00 0.00 56.01 54.60 3df0 n LEU 679 Cb 0.00 -0.01 0.07 0.00 0.53 0.00 0.00 43.42 44.02 3df0 n LEU 679 CO 0.00 0.10 0.27 -0.67 -1.11 0.00 0.00 177.39 175.98 3df0 n ASP 680 N -0.53 -2.06 -0.10 1.96 4.64 -0.62 -4.75 116.55 115.09 3df0 n ASP 680 Ca 0.22 -3.60 0.00 0.00 -1.38 0.00 0.00 54.79 50.03 3df0 n ASP 680 Cb 0.21 1.66 0.29 0.00 -1.04 0.00 0.00 41.12 42.24 3df0 n ASP 680 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3df0 h PRO 681 N 3.08 0.74 -0.61 -0.67 0.13 -1.84 -2.69 132.00 130.14 3df0 h PRO 681 Ca -0.08 -0.09 -0.15 0.00 -0.87 0.00 0.00 66.00 64.80 3df0 h PRO 681 Cb 1.08 -0.14 -0.09 0.00 0.13 0.00 0.00 31.00 31.98 3df0 h PRO 681 CO 0.18 0.59 0.17 0.39 -0.23 0.00 0.00 178.00 179.10 3df0 n GLU 682 N -4.37 3.61 -1.33 0.86 -0.58 -1.26 -4.81 120.64 112.77 3df0 n GLU 682 Ca 0.04 -3.08 -0.04 0.00 -0.42 0.00 0.00 57.16 53.67 3df0 n GLU 682 Cb 0.13 -2.14 -0.01 0.00 -0.57 0.00 0.00 31.44 28.85 3df0 n GLU 682 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3df0 n ASN 683 N -0.19 -3.18 -4.59 1.62 4.13 -1.01 -4.97 115.26 107.07 3df0 n ASN 683 Ca 0.36 0.08 -0.46 0.00 1.68 0.00 0.00 54.58 56.23 3df0 n ASN 683 Cb 1.26 -1.38 -0.05 0.00 -1.54 0.00 0.00 39.78 38.08 3df0 n ASN 683 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3df0 n THR 684 N -3.12 0.41 0.00 3.41 -2.24 -1.26 -4.76 114.28 106.72 3df0 n THR 684 Ca -0.04 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3df0 n THR 684 Cb 0.22 -2.12 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 3df0 n THR 684 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3df0 n GLY 685 N 5.47 0.00 3.28 3.38 0.00 -1.26 -4.63 105.19 111.43 3df0 n GLY 685 Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 3df0 n GLY 685 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3df0 s THR 686 N -1.42 1.23 0.03 2.61 -1.32 -1.26 -5.17 115.64 110.34 3df0 s THR 686 Ca 0.00 -2.08 -0.09 0.00 -1.21 0.00 0.00 61.69 58.31 3df0 s THR 686 Cb 0.00 -1.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.02 3df0 s THR 686 CO 0.00 -0.64 0.18 -0.51 -2.21 0.00 0.00 174.62 171.44 3df0 s ILE 687 N -3.29 0.10 -0.02 5.08 2.07 -1.26 -4.82 121.20 119.06 3df0 s ILE 687 Ca 0.20 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.60 3df0 s ILE 687 Cb 0.03 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.83 3df0 s ILE 687 CO 0.03 -0.47 -0.04 -1.58 -1.91 0.00 0.00 174.94 170.97 3df0 s GLN 688 N -2.27 0.55 -0.02 3.50 0.74 -1.26 -5.15 119.66 115.75 3df0 s GLN 688 Ca -0.07 -0.10 0.01 0.00 0.05 0.00 0.00 55.36 55.25 3df0 s GLN 688 Cb -0.03 -0.59 0.01 0.00 1.10 0.00 0.00 33.01 33.51 3df0 s GLN 688 CO -0.02 -0.01 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.16 3df0 s LEU 689 N 0.51 1.63 0.64 3.68 1.43 -1.26 -5.12 118.68 120.19 3df0 s LEU 689 Ca -0.06 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3df0 s LEU 689 Cb -0.09 -0.27 0.02 0.00 0.03 0.00 0.00 46.19 45.87 3df0 s LEU 689 CO -0.00 -0.01 0.98 1.51 0.23 0.00 0.00 176.35 179.05 3df0 s ASP 690 N 0.42 5.48 0.09 2.29 1.47 -1.26 -4.91 116.67 120.25 3df0 s ASP 690 Ca -0.04 0.83 -0.31 0.00 1.18 0.00 0.00 52.55 54.20 3df0 s ASP 690 Cb -0.08 -1.73 -0.15 0.00 -0.34 0.00 0.00 42.92 40.63 3df0 s ASP 690 CO -0.01 -1.20 1.62 0.25 0.68 0.00 0.00 175.17 176.51 3df0 h LEU 691 N -0.37 -0.88 -0.77 2.11 7.12 -2.01 0.03 115.31 120.55 3df0 h LEU 691 Ca -0.45 0.07 0.01 0.00 0.13 0.00 0.00 57.88 57.63 3df0 h LEU 691 Cb 1.26 0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 41.63 3df0 h LEU 691 CO 0.62 -0.49 0.51 0.16 -0.13 0.00 0.00 178.44 179.10 3df0 h ILE 692 N -0.75 1.19 0.00 4.05 -0.00 -2.00 -1.78 117.51 118.22 3df0 h ILE 692 Ca -0.04 -0.35 0.00 0.00 -0.00 0.00 0.00 64.86 64.47 3df0 h ILE 692 Cb 0.65 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 37.54 3df0 h ILE 692 CO -0.01 0.19 -0.33 0.77 -0.00 0.00 0.00 178.15 178.77 3df0 h SER 693 N 1.03 0.00 -0.33 2.16 4.64 -1.96 -2.12 113.55 116.98 3df0 h SER 693 Ca 0.28 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 3df0 h SER 693 Cb -0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3df0 h SER 693 CO -0.07 0.00 0.12 -0.25 -0.87 0.00 0.00 176.83 175.77 3df0 h TRP 694 N 0.00 0.51 0.07 4.77 2.91 -0.41 -1.04 115.95 122.76 3df0 h TRP 694 Ca 0.00 -0.04 0.02 0.00 1.13 0.00 0.00 58.89 59.99 3df0 h TRP 694 Cb 0.99 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.46 3df0 h TRP 694 CO 0.00 0.50 -0.17 -0.07 -1.03 0.00 0.00 178.44 177.67 3df0 h LEU 695 N 0.38 -0.48 -2.51 0.65 3.38 -1.22 -0.74 115.31 114.78 3df0 h LEU 695 Ca 0.11 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3df0 h LEU 695 Cb 0.21 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3df0 h LEU 695 CO -0.01 -0.24 0.00 0.77 0.09 0.00 0.00 178.44 179.05 3df0 h SER 696 N -0.31 0.00 0.00 -0.43 4.64 -1.07 0.17 113.55 116.55 3df0 h SER 696 Ca 0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3df0 h SER 696 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3df0 h SER 696 CO -0.12 0.00 -0.48 -0.26 -0.87 0.00 0.00 176.83 175.11 3df0 h PHE 697 N 0.00 0.00 0.00 4.77 -1.00 -0.94 -3.03 116.94 116.74 3df0 h PHE 697 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3df0 h PHE 697 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3df0 h PHE 697 CO 0.00 0.17 0.00 -1.13 -1.61 0.00 0.00 178.31 175.74 3df0 n SER 698 N -4.63 0.00 0.00 2.17 3.41 -0.31 -1.94 113.62 112.32 3df0 n SER 698 Ca -0.08 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 3df0 n SER 698 Cb 0.26 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3df0 n SER 698 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3df0 n VAL 699 N -1.33 0.00 0.00 -3.33 3.14 0.57 -5.03 118.33 112.35 3df0 n VAL 699 Ca 0.02 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 3df0 n VAL 699 Cb 0.04 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 3df0 n VAL 699 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3df0 n LEU 700 N -0.99 0.00 0.00 6.55 4.77 -0.82 -5.04 117.00 121.47 3df0 n LEU 700 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3df0 n LEU 700 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3df0 n LEU 700 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67