#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iie s LYS 2 N 0.00 4.51 -0.07 2.12 1.02 0.55 -4.94 119.74 122.93 3iie s LYS 2 Ca 0.00 1.13 -0.22 0.00 0.02 0.00 0.00 55.97 56.89 3iie s LYS 2 Cb 0.00 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3iie s LYS 2 CO 0.00 0.14 0.66 -0.65 -0.92 0.00 0.00 175.35 174.58 3iie s GLN 3 N 0.44 4.42 -0.04 1.68 -1.52 -1.26 -0.32 119.66 123.07 3iie s GLN 3 Ca 0.42 0.81 0.03 0.00 -1.95 0.00 0.00 55.36 54.67 3iie s GLN 3 Cb -0.20 -3.44 -0.03 0.00 -0.22 0.00 0.00 33.01 29.12 3iie s GLN 3 CO 0.23 0.11 -0.10 -0.51 -0.25 0.00 0.00 175.29 174.77 3iie s LEU 4 N 0.68 3.00 -0.16 2.90 1.02 0.14 -1.71 118.68 124.55 3iie s LEU 4 Ca 0.35 -0.14 -0.03 0.00 0.02 0.00 0.00 54.13 54.34 3iie s LEU 4 Cb -0.17 -1.67 -0.02 0.00 0.02 0.00 0.00 46.19 44.35 3iie s LEU 4 CO 0.17 0.33 -0.06 -0.89 0.02 0.00 0.00 176.35 175.92 3iie s THR 5 N -0.84 3.59 -0.30 5.49 2.01 -0.34 -0.41 115.64 124.83 3iie s THR 5 Ca 0.14 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 3iie s THR 5 Cb -0.11 -2.57 0.02 0.00 0.01 0.00 0.00 72.50 69.85 3iie s THR 5 CO 0.03 0.49 0.05 -0.63 -0.69 0.00 0.00 174.62 173.87 3iie s ILE 6 N 0.57 3.66 -0.47 1.82 1.01 -0.73 -0.07 121.20 126.99 3iie s ILE 6 Ca -0.04 -0.89 -0.22 0.00 0.00 0.00 0.00 60.65 59.50 3iie s ILE 6 Cb -0.15 -2.94 0.03 0.00 0.01 0.00 0.00 42.46 39.42 3iie s ILE 6 CO 0.03 0.03 0.72 -0.76 0.00 0.00 0.00 174.94 174.96 3iie s LEU 7 N 1.43 4.46 0.00 2.97 1.43 -0.33 -0.18 118.68 128.46 3iie s LEU 7 Ca 0.01 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3iie s LEU 7 Cb -0.18 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3iie s LEU 7 CO 0.01 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.31 3iie n GLY 8 N 5.05 0.70 0.21 -3.19 0.00 0.23 -0.75 105.19 107.43 3iie n GLY 8 Ca -0.01 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3iie n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iie h SER 9 N 0.00 0.00 0.44 1.61 4.64 -1.39 -3.27 113.55 115.58 3iie h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iie h SER 9 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3iie h SER 9 CO 0.00 0.09 -0.50 0.35 -0.87 0.00 0.00 176.83 175.90 3iie n THR 10 N -3.12 0.00 -1.91 2.95 -2.24 -1.26 -3.33 114.28 105.36 3iie n THR 10 Ca 0.04 -0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 3iie n THR 10 Cb 0.57 0.31 0.17 0.00 -2.10 0.00 0.00 70.33 69.27 3iie n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iie n GLY 11 N 1.48 -1.13 0.16 3.38 0.00 -1.24 -4.79 105.19 103.05 3iie n GLY 11 Ca 0.06 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 3iie n GLY 11 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3iie h SER 12 N -1.36 -0.35 -0.56 1.61 0.87 -1.89 -0.28 113.55 111.59 3iie h SER 12 Ca -0.36 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.18 3iie h SER 12 Cb 1.03 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 3iie h SER 12 CO 0.27 -0.13 -0.09 0.40 -0.53 0.00 0.00 176.83 176.75 3iie h ILE 13 N -0.07 1.27 -0.43 2.23 2.04 -1.93 -2.15 117.51 118.46 3iie h ILE 13 Ca 0.12 -1.25 0.09 0.00 1.00 0.00 0.00 64.86 64.82 3iie h ILE 13 Cb 0.25 0.92 -0.09 0.00 -0.74 0.00 0.00 36.82 37.16 3iie h ILE 13 CO -0.28 0.45 -0.19 1.23 0.00 0.00 0.00 178.15 179.36 3iie h GLY 14 N 0.94 0.14 1.29 5.37 0.00 -1.49 0.21 103.07 109.53 3iie h GLY 14 Ca 0.15 0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.60 3iie h GLY 14 CO 0.05 -0.20 -0.27 3.43 0.00 0.00 0.00 176.54 179.55 3iie h ASN 15 N -0.10 0.83 -0.51 0.19 2.35 -0.86 -0.54 115.58 116.94 3iie h ASN 15 Ca 0.21 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3iie h ASN 15 Cb 0.42 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3iie h ASN 15 CO -0.50 1.05 0.19 0.28 -1.65 0.00 0.00 177.43 176.80 3iie h SER 16 N 0.69 0.72 -0.07 5.81 0.02 -1.11 0.30 113.55 119.91 3iie h SER 16 Ca 0.09 -0.18 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3iie h SER 16 Cb 0.80 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3iie h SER 16 CO 0.07 0.70 -0.03 0.74 -1.14 0.00 0.00 176.83 177.17 3iie h THR 17 N 0.68 0.90 -0.19 -2.27 2.02 -0.58 -2.05 112.91 111.43 3iie h THR 17 Ca 0.17 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 3iie h THR 17 Cb 0.22 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3iie h THR 17 CO -0.01 0.00 0.10 -0.07 0.37 0.00 0.00 175.52 175.91 3iie h LEU 18 N -0.02 0.23 -0.59 2.58 3.38 -0.90 -1.64 115.31 118.36 3iie h LEU 18 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3iie h LEU 18 Cb 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3iie h LEU 18 CO -0.08 0.19 0.25 -1.28 0.09 0.00 0.00 178.44 177.61 3iie h SER 19 N 0.27 0.79 -0.36 -0.43 0.87 0.26 0.41 113.55 115.36 3iie h SER 19 Ca 0.07 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3iie h SER 19 Cb 0.02 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3iie h SER 19 CO -0.01 0.73 0.19 0.58 -0.53 0.00 0.00 176.83 177.79 3iie h VAL 20 N 0.81 1.15 -0.46 2.23 2.07 -0.66 -1.80 116.25 119.59 3iie h VAL 20 Ca 0.20 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.36 3iie h VAL 20 Cb 0.17 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 3iie h VAL 20 CO -0.02 0.16 0.17 0.58 0.02 0.00 0.00 177.57 178.48 3iie h VAL 21 N 0.45 0.85 -0.80 2.57 2.07 -1.14 -0.40 116.25 119.85 3iie h VAL 21 Ca 0.13 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.56 3iie h VAL 21 Cb 0.09 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3iie h VAL 21 CO -0.02 0.06 0.51 -0.09 0.02 0.00 0.00 177.57 178.05 3iie h ARG 22 N 0.34 0.96 0.00 1.57 2.43 -0.48 -0.47 114.38 118.73 3iie h ARG 22 Ca 0.22 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3iie h ARG 22 Cb 0.21 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3iie h ARG 22 CO -0.22 0.64 0.00 0.00 -1.51 0.00 0.00 179.97 178.88 3iie n ALA 23 N -2.33 1.91 -2.98 2.80 0.00 -0.72 -4.28 120.51 114.92 3iie n ALA 23 Ca 0.09 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.39 3iie n ALA 23 Cb 0.08 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 3iie n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iie n ASN 24 N -2.12 1.47 0.13 0.00 3.02 -0.21 -4.96 115.26 112.59 3iie n ASN 24 Ca 0.04 -3.00 0.17 0.00 -0.03 0.00 0.00 54.58 51.75 3iie n ASN 24 Cb 0.30 -0.58 0.73 0.00 -0.61 0.00 0.00 39.78 39.62 3iie n ASN 24 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3iie h PRO 25 N 2.98 0.00 0.00 3.52 0.13 -1.65 0.48 132.00 137.46 3iie h PRO 25 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3iie h PRO 25 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3iie h PRO 25 CO 0.54 0.00 -0.23 0.39 -0.23 0.00 0.00 178.00 178.47 3iie n GLU 26 N -4.18 0.19 -0.06 0.86 -0.58 -1.26 -3.90 120.64 111.70 3iie n GLU 26 Ca 0.04 0.12 -0.13 0.00 -0.42 0.00 0.00 57.16 56.77 3iie n GLU 26 Cb 0.40 -1.68 -0.14 0.00 -0.57 0.00 0.00 31.44 29.45 3iie n GLU 26 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3iie n LEU 27 N -1.99 1.29 -3.94 -4.62 4.77 0.12 -4.62 117.00 108.01 3iie n LEU 27 Ca 0.05 0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.94 3iie n LEU 27 Cb 0.41 -0.15 -0.17 0.00 -2.33 0.00 0.00 43.42 41.18 3iie n LEU 27 CO 0.32 0.61 -0.43 -0.36 -1.33 0.00 0.00 177.39 176.20 3iie s PHE 28 N -2.54 1.07 -0.11 -1.77 0.08 -0.98 -0.33 117.98 113.39 3iie s PHE 28 Ca -0.15 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.55 3iie s PHE 28 Cb 0.07 -0.86 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 3iie s PHE 28 CO 0.77 -0.25 -0.19 0.21 -0.10 0.00 0.00 175.22 175.66 3iie s LYS 29 N 0.91 3.18 -0.33 0.44 2.47 0.57 -4.65 119.74 122.32 3iie s LYS 29 Ca -0.11 -0.80 -0.24 0.00 -1.56 0.00 0.00 55.97 53.26 3iie s LYS 29 Cb -0.15 -2.44 0.01 0.00 -1.46 0.00 0.00 37.83 33.79 3iie s LYS 29 CO 0.01 0.20 0.82 0.08 0.16 0.00 0.00 175.35 176.62 3iie s VAL 30 N 0.33 4.73 -0.11 4.02 1.01 -1.26 0.29 120.40 129.41 3iie s VAL 30 Ca -0.15 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.91 3iie s VAL 30 Cb -0.17 -4.21 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 3iie s VAL 30 CO 0.08 -0.36 0.41 0.41 0.00 0.00 0.00 175.10 175.64 3iie n THR 31 N 5.69 1.78 -3.78 3.92 -1.04 0.45 -4.03 114.28 117.26 3iie n THR 31 Ca 0.04 -0.67 -0.13 0.00 -2.04 0.00 0.00 64.05 61.25 3iie n THR 31 Cb 0.48 -1.67 -0.13 0.00 -1.82 0.00 0.00 70.33 67.19 3iie n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iie s ALA 32 N -2.56 -0.39 -0.03 2.41 0.00 -1.02 -0.15 121.76 120.02 3iie s ALA 32 Ca -0.20 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.43 3iie s ALA 32 Cb 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3iie s ALA 32 CO 0.78 -0.12 -0.21 -0.51 0.00 0.00 0.00 175.76 175.69 3iie s LEU 33 N 0.60 2.33 -0.08 0.00 1.43 -0.63 -1.77 118.68 120.56 3iie s LEU 33 Ca -0.04 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3iie s LEU 33 Cb -0.06 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.75 3iie s LEU 33 CO -0.03 0.33 -0.11 -0.69 0.23 0.00 0.00 176.35 176.07 3iie s VAL 34 N -0.67 1.12 0.29 -1.59 1.01 0.75 -1.02 120.40 120.30 3iie s VAL 34 Ca 0.11 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3iie s VAL 34 Cb -0.10 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3iie s VAL 34 CO -0.00 0.36 0.13 0.00 0.00 0.00 0.00 175.10 175.59 3iie n ALA 35 N 4.14 0.45 -1.56 5.51 0.00 -0.44 0.74 120.51 129.35 3iie n ALA 35 Ca -0.20 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.70 3iie n ALA 35 Cb 0.51 1.08 0.00 0.00 0.00 0.00 0.00 19.45 21.04 3iie n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iie n GLY 36 N -0.12 0.85 0.00 0.00 0.00 -1.26 -2.32 105.19 102.34 3iie n GLY 36 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3iie n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iie n ARG 37 N 0.00 0.24 -2.37 1.61 1.74 -1.26 -0.16 116.66 116.46 3iie n ARG 37 Ca 0.00 -0.70 -0.37 0.00 -0.77 0.00 0.00 57.85 56.01 3iie n ARG 37 Cb 0.00 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.51 3iie n ARG 37 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3iie s ASN 38 N -0.26 6.09 0.18 0.55 3.84 -1.26 -4.75 114.94 119.33 3iie s ASN 38 Ca 0.00 -2.08 -0.12 0.00 0.21 0.00 0.00 52.86 50.87 3iie s ASN 38 Cb 0.00 -2.58 0.09 0.00 -0.55 0.00 0.00 41.25 38.21 3iie s ASN 38 CO 0.00 -1.96 1.82 0.58 -2.79 0.00 0.00 177.10 174.75 3iie h VAL 39 N 5.88 1.18 -0.42 -5.21 2.07 -1.92 -1.63 116.25 116.21 3iie h VAL 39 Ca 0.34 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3iie h VAL 39 Cb 0.90 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3iie h VAL 39 CO 1.36 0.19 0.20 -0.09 0.02 0.00 0.00 177.57 179.25 3iie h ARG 40 N 0.83 0.61 0.05 1.57 2.43 -2.00 -0.19 114.38 117.67 3iie h ARG 40 Ca 0.22 -0.09 -0.23 0.00 -0.81 0.00 0.00 59.98 59.07 3iie h ARG 40 Cb -0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3iie h ARG 40 CO -0.04 0.53 -1.03 0.93 -1.51 0.00 0.00 179.97 178.85 3iie h GLU 41 N 0.54 0.21 -0.36 0.20 5.08 -1.95 -2.97 114.58 115.33 3iie h GLU 41 Ca 0.14 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3iie h GLU 41 Cb 0.13 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3iie h GLU 41 CO -0.02 1.07 0.04 1.98 -1.00 0.00 0.00 179.01 181.08 3iie h MET 42 N 0.09 0.54 -0.55 2.33 4.05 -0.78 -2.03 114.93 118.57 3iie h MET 42 Ca -0.07 -0.10 -0.06 0.00 -0.28 0.00 0.00 59.70 59.18 3iie h MET 42 Cb 1.72 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 32.41 3iie h MET 42 CO 0.16 0.53 0.11 0.00 0.23 0.00 0.00 176.91 177.94 3iie h ALA 43 N 1.53 0.73 -0.72 0.39 0.00 -0.97 -0.34 119.26 119.88 3iie h ALA 43 Ca 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3iie h ALA 43 Cb 0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3iie h ALA 43 CO 0.00 0.46 0.28 0.37 0.00 0.00 0.00 179.25 180.36 3iie h GLN 44 N 0.80 1.07 -0.27 0.00 4.15 -1.28 -0.19 115.11 119.39 3iie h GLN 44 Ca 0.17 -0.20 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 3iie h GLN 44 Cb 0.38 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3iie h GLN 44 CO 0.01 0.89 -0.27 1.96 -1.93 0.00 0.00 178.83 179.49 3iie h GLN 45 N 1.03 0.53 -0.19 1.69 4.20 -1.01 -1.55 115.11 119.81 3iie h GLN 45 Ca 0.24 -0.21 -0.19 0.00 0.06 0.00 0.00 58.65 58.55 3iie h GLN 45 Cb 0.22 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3iie h GLN 45 CO -0.02 0.75 -0.63 0.00 -0.67 0.00 0.00 178.83 178.26 3iie h LEU 47 N 0.49 0.59 -0.00 0.00 -0.00 -1.01 -1.45 115.31 113.92 3iie h LEU 47 Ca -0.01 -0.19 -0.15 0.00 -0.00 0.00 0.00 57.88 57.53 3iie h LEU 47 Cb 1.22 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 41.73 3iie h LEU 47 CO 0.12 0.79 -0.58 -0.08 -0.00 0.00 0.00 178.44 178.69 3iie h GLU 48 N 0.53 0.40 -0.12 1.13 4.81 -1.13 -3.39 114.58 116.82 3iie h GLU 48 Ca 0.09 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3iie h GLU 48 Cb 0.62 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3iie h GLU 48 CO 0.04 1.09 0.00 1.19 -0.73 0.00 0.00 179.01 180.61 3iie n PHE 49 N -4.24 0.13 -4.07 0.92 3.72 -0.34 -5.01 117.46 108.57 3iie n PHE 49 Ca -0.10 -0.09 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 3iie n PHE 49 Cb 0.66 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.20 3iie n PHE 49 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3iie n SER 50 N 0.99 -3.36 -4.80 4.37 7.64 -0.55 -4.51 113.62 113.39 3iie n SER 50 Ca 0.11 -1.26 -0.32 0.00 1.01 0.00 0.00 58.87 58.41 3iie n SER 50 Cb 0.45 -1.88 0.02 0.00 -1.01 0.00 0.00 64.21 61.78 3iie n SER 50 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3iie s PRO 51 N -7.26 3.21 0.25 1.43 0.04 -1.26 -4.90 135.00 126.52 3iie s PRO 51 Ca 0.40 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.64 3iie s PRO 51 Cb -0.21 -2.02 0.31 0.00 0.04 0.00 0.00 34.50 32.62 3iie s PRO 51 CO 0.96 -0.90 1.65 0.00 0.04 0.00 0.00 177.00 178.76 3iie h ARG 52 N 0.24 0.49 -5.03 4.56 3.08 -0.72 -3.37 114.38 113.62 3iie h ARG 52 Ca -0.46 -0.22 -0.34 0.00 0.07 0.00 0.00 59.98 59.02 3iie h ARG 52 Cb 1.22 -0.01 -0.19 0.00 0.08 0.00 0.00 29.97 31.07 3iie h ARG 52 CO 0.57 0.78 -0.74 0.71 -1.07 0.00 0.00 179.97 180.21 3iie s TYR 53 N -4.31 1.07 -0.02 3.04 2.02 -0.45 -1.48 117.35 117.22 3iie s TYR 53 Ca -0.07 -0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 56.00 3iie s TYR 53 Cb 0.13 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 41.10 3iie s TYR 53 CO 0.81 0.01 0.10 0.00 -1.57 0.00 0.00 175.55 174.89 3iie s ALA 54 N -2.05 -0.23 -0.04 3.71 0.00 0.10 -1.60 121.76 121.66 3iie s ALA 54 Ca 0.02 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.03 3iie s ALA 54 Cb -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.04 3iie s ALA 54 CO 0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 175.76 175.57 3iie s ALA 55 N -0.63 0.83 0.52 0.00 0.00 -0.19 0.49 121.76 122.77 3iie s ALA 55 Ca -0.07 -0.23 0.09 0.00 0.00 0.00 0.00 51.96 51.75 3iie s ALA 55 Cb -0.04 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.75 3iie s ALA 55 CO 0.00 0.08 0.65 -1.64 0.00 0.00 0.00 175.76 174.86 3iie s MET 56 N 0.52 2.46 0.41 0.00 -1.94 -0.17 -1.32 119.30 119.26 3iie s MET 56 Ca -0.08 -1.57 0.22 0.00 -1.71 0.00 0.00 55.69 52.55 3iie s MET 56 Cb -0.12 -2.59 0.42 0.00 2.01 0.00 0.00 34.83 34.55 3iie s MET 56 CO 0.01 -0.62 1.62 0.66 -0.01 0.00 0.00 175.02 176.68 3iie h SER 57 N 0.44 0.00 -5.38 3.03 4.64 -0.14 -2.67 113.55 113.48 3iie h SER 57 Ca -0.34 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.81 3iie h SER 57 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.23 3iie h SER 57 CO 0.45 0.16 -0.59 1.51 -0.87 0.00 0.00 176.83 177.49 3iie s ASP 58 N -6.22 0.28 0.32 4.97 3.84 -1.26 -3.74 116.67 114.85 3iie s ASP 58 Ca 0.05 -1.12 0.00 0.00 -0.00 0.00 0.00 52.55 51.48 3iie s ASP 58 Cb 0.07 0.31 0.53 0.00 -1.38 0.00 0.00 42.92 42.45 3iie s ASP 58 CO 0.67 -0.74 1.96 -0.33 -0.00 0.00 0.00 175.17 176.73 3iie h GLU 59 N 2.84 0.98 -0.12 2.11 4.39 -1.92 -1.99 114.58 120.86 3iie h GLU 59 Ca -0.34 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.25 3iie h GLU 59 Cb 1.20 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3iie h GLU 59 CO 0.58 0.65 -0.11 1.25 -1.16 0.00 0.00 179.01 180.22 3iie h HIS 60 N 1.01 0.33 -0.61 4.33 2.76 -1.99 -0.56 115.15 120.42 3iie h HIS 60 Ca 0.31 -0.10 0.09 0.00 -2.20 0.00 0.00 60.37 58.47 3iie h HIS 60 Cb -0.00 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 28.82 3iie h HIS 60 CO -0.00 0.68 0.25 0.77 -1.30 0.00 0.00 177.93 178.33 3iie h SER 61 N -0.11 0.27 -0.88 3.26 0.02 -1.92 -2.40 113.55 111.79 3iie h SER 61 Ca 0.02 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3iie h SER 61 Cb 0.62 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 3iie h SER 61 CO 0.03 0.16 0.55 0.00 -1.14 0.00 0.00 176.83 176.43 3iie h ALA 62 N 1.41 1.31 -0.07 3.77 0.00 -1.06 -1.58 119.26 123.04 3iie h ALA 62 Ca 0.31 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3iie h ALA 62 Cb 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iie h ALA 62 CO -0.29 0.61 -0.57 0.87 0.00 0.00 0.00 179.25 179.87 3iie h LYS 63 N 1.21 0.22 -0.09 0.00 1.57 -0.87 0.36 116.57 118.98 3iie h LYS 63 Ca 0.32 -0.14 -0.24 0.00 -1.87 0.00 0.00 60.65 58.72 3iie h LYS 63 Cb -0.09 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.25 3iie h LYS 63 CO -0.06 0.73 -0.87 0.77 -0.57 0.00 0.00 179.45 179.44 3iie h SER 64 N 0.17 0.88 0.36 0.86 0.02 -0.93 -2.31 113.55 112.61 3iie h SER 64 Ca -0.00 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.30 3iie h SER 64 Cb 1.05 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3iie h SER 64 CO 0.09 1.42 -0.19 0.25 -1.14 0.00 0.00 176.83 177.27 3iie h LEU 65 N 0.46 -0.45 -1.09 5.07 5.85 -1.13 -1.33 115.31 122.70 3iie h LEU 65 Ca -0.08 0.02 0.25 0.00 0.84 0.00 0.00 57.88 58.91 3iie h LEU 65 Cb 1.51 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 42.54 3iie h LEU 65 CO 0.17 -0.31 0.61 -0.09 -0.34 0.00 0.00 178.44 178.49 3iie h ARG 66 N -0.51 0.54 -0.04 1.25 2.43 -0.23 -0.04 114.38 117.78 3iie h ARG 66 Ca -0.05 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3iie h ARG 66 Cb 0.40 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3iie h ARG 66 CO 0.07 0.35 -0.01 1.25 -1.51 0.00 0.00 179.97 180.13 3iie h LEU 67 N 0.55 0.07 -0.51 3.80 5.85 -0.98 -0.98 115.31 123.12 3iie h LEU 67 Ca 0.63 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 59.06 3iie h LEU 67 Cb 1.27 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3iie h LEU 67 CO -0.43 0.41 0.20 -0.07 -0.34 0.00 0.00 178.44 178.21 3iie h LEU 68 N -0.26 0.23 -0.70 2.25 3.38 -0.01 -1.51 115.31 118.69 3iie h LEU 68 Ca 0.01 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3iie h LEU 68 Cb 0.38 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3iie h LEU 68 CO 0.00 0.16 -0.08 -0.07 0.09 0.00 0.00 178.44 178.54 3iie h LEU 69 N 0.39 0.91 -0.95 1.67 3.38 -0.96 -2.85 115.31 116.91 3iie h LEU 69 Ca 0.24 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 3iie h LEU 69 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3iie h LEU 69 CO -0.23 1.02 -0.42 0.00 0.09 0.00 0.00 178.44 178.90 3iie h ALA 70 N 1.07 1.12 0.00 1.53 0.00 -0.70 -0.21 119.26 122.06 3iie h ALA 70 Ca 0.14 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3iie h ALA 70 Cb 0.61 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3iie h ALA 70 CO 0.04 0.59 -0.08 0.93 0.00 0.00 0.00 179.25 180.73 3iie h GLU 71 N 0.18 0.00 -0.67 0.00 5.08 -1.05 -1.83 114.58 116.29 3iie h GLU 71 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3iie h GLU 71 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3iie h GLU 71 CO 0.06 0.08 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 3iie n GLN 72 N -4.21 2.69 -3.01 2.33 1.13 -0.21 -4.95 117.38 111.17 3iie n GLN 72 Ca -0.03 -2.60 -0.22 0.00 -1.94 0.00 0.00 57.00 52.21 3iie n GLN 72 Cb 0.17 -1.56 0.03 0.00 0.11 0.00 0.00 30.24 28.98 3iie n GLN 72 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iie n GLY 73 N 1.62 -0.52 3.79 1.08 0.00 -0.69 -4.97 105.19 105.51 3iie n GLY 73 Ca 0.24 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 3iie n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iie s SER 74 N -2.65 5.92 0.26 1.61 0.15 -0.52 -4.96 113.70 113.50 3iie s SER 74 Ca 0.29 2.00 0.25 0.00 0.70 0.00 0.00 55.95 59.19 3iie s SER 74 Cb -0.13 -2.56 0.55 0.00 -1.71 0.00 0.00 66.02 62.16 3iie s SER 74 CO 0.36 -1.07 1.60 0.44 1.20 0.00 0.00 173.24 175.77 3iie h ASP 75 N 1.11 0.00 -2.20 5.45 3.32 -1.92 -3.45 116.42 118.73 3iie h ASP 75 Ca -0.49 -0.04 -0.59 0.00 0.02 0.00 0.00 57.03 55.93 3iie h ASP 75 Cb 1.24 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.83 3iie h ASP 75 CO 0.58 0.02 0.88 0.41 -1.72 0.00 0.00 179.24 179.41 3iie n THR 76 N -2.49 0.17 -3.14 0.35 -1.04 -1.26 -4.98 114.28 101.89 3iie n THR 76 Ca 0.04 -0.03 -0.39 0.00 -2.04 0.00 0.00 64.05 61.63 3iie n THR 76 Cb 0.47 -1.63 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 3iie n THR 76 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3iie s GLU 77 N 1.82 4.37 -0.14 -2.82 2.02 -0.55 -4.91 118.70 118.49 3iie s GLU 77 Ca 0.83 0.82 -0.02 0.00 0.02 0.00 0.00 54.97 56.61 3iie s GLU 77 Cb -0.68 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.16 3iie s GLU 77 CO 0.42 0.31 -0.06 0.08 0.02 0.00 0.00 175.26 176.02 3iie s VAL 78 N -0.02 3.68 0.45 2.63 1.01 -1.26 0.01 120.40 126.91 3iie s VAL 78 Ca 0.33 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3iie s VAL 78 Cb -0.19 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 3iie s VAL 78 CO 0.18 0.51 0.07 -1.22 0.00 0.00 0.00 175.10 174.64 3iie n TYR 79 N 3.43 0.68 -3.70 5.22 4.01 0.18 -4.97 117.16 122.00 3iie n TYR 79 Ca -0.18 -2.51 -0.10 0.00 -0.16 0.00 0.00 57.90 54.95 3iie n TYR 79 Cb 0.53 -0.18 -0.06 0.00 -0.31 0.00 0.00 39.34 39.32 3iie n TYR 79 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3iie s SER 80 N -3.61 -0.15 0.00 7.72 1.04 -1.26 -1.00 113.70 116.45 3iie s SER 80 Ca 0.10 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3iie s SER 80 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3iie s SER 80 CO 0.07 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.11 3iie n GLY 81 N -0.06 1.95 0.09 7.32 0.00 -1.00 -4.42 105.19 109.06 3iie n GLY 81 Ca -0.16 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 3iie n GLY 81 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iie h GLU 82 N 0.00 0.19 -0.60 1.61 4.81 -1.90 -2.12 114.58 116.57 3iie h GLU 82 Ca 0.00 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 3iie h GLU 82 Cb 0.00 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.26 3iie h GLU 82 CO 0.00 0.24 0.13 1.15 -0.73 0.00 0.00 179.01 179.80 3iie h THR 83 N 0.10 0.64 -0.24 0.32 2.02 -2.00 -1.10 112.91 112.65 3iie h THR 83 Ca 0.05 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.19 3iie h THR 83 Cb 0.11 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.83 3iie h THR 83 CO -0.01 0.05 -0.07 0.00 0.37 0.00 0.00 175.52 175.87 3iie h ALA 84 N 1.48 0.15 -0.73 6.16 0.00 -1.71 -0.28 119.26 124.33 3iie h ALA 84 Ca 0.32 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.36 3iie h ALA 84 Cb 0.47 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3iie h ALA 84 CO -0.41 -0.48 0.45 0.00 0.00 0.00 0.00 179.25 178.82 3iie h ALA 85 N 1.23 0.96 -0.83 0.00 0.00 -0.65 -0.62 119.26 119.35 3iie h ALA 85 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iie h ALA 85 Cb 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3iie h ALA 85 CO -0.25 0.21 0.50 0.00 0.00 0.00 0.00 179.25 179.71 3iie h GLU 87 N 1.14 0.79 0.00 0.00 4.39 -0.31 -2.28 114.58 118.30 3iie h GLU 87 Ca 0.30 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 3iie h GLU 87 Cb -0.04 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3iie h GLU 87 CO -0.06 0.72 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.12 3iie h LEU 88 N 0.70 0.00 0.00 1.33 3.38 -0.78 -1.38 115.31 118.56 3iie h LEU 88 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3iie h LEU 88 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iie h LEU 88 CO -0.01 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.85 3iie n ALA 89 N -2.43 1.87 -0.08 1.53 0.00 -0.57 -3.48 120.51 117.35 3iie n ALA 89 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3iie n ALA 89 Cb 0.39 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3iie n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iie n ALA 90 N -1.49 2.04 -1.69 0.00 0.00 -0.56 -4.07 120.51 114.74 3iie n ALA 90 Ca 0.05 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.27 3iie n ALA 90 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.66 3iie n ALA 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iie n LEU 91 N -0.31 3.59 -0.12 0.00 4.77 -0.98 -4.89 117.00 119.06 3iie n LEU 91 Ca 0.00 1.18 -0.07 0.00 -0.03 0.00 0.00 56.01 57.09 3iie n LEU 91 Cb 0.19 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 39.79 3iie n LEU 91 CO 0.00 -0.58 0.65 0.44 -1.33 0.00 0.00 177.39 176.57 3iie h ASP 92 N 2.39 -1.01 0.00 -1.43 3.45 -1.95 -2.82 116.42 115.05 3iie h ASP 92 Ca -0.46 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.18 3iie h ASP 92 Cb 1.29 0.48 0.00 0.00 -0.56 0.00 0.00 39.33 40.54 3iie h ASP 92 CO 0.62 -0.31 0.00 0.47 -1.57 0.00 0.00 179.24 178.45 3iie n ASP 93 N -5.41 0.00 -4.74 6.45 8.00 -1.26 -4.78 116.55 114.81 3iie n ASP 93 Ca 0.01 -0.91 -0.38 0.00 0.71 0.00 0.00 54.79 54.23 3iie n ASP 93 Cb 0.33 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 3iie n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iie s VAL 94 N -2.00 5.17 -0.18 2.53 1.01 -1.07 -4.67 120.40 121.20 3iie s VAL 94 Ca 0.42 0.88 0.05 0.00 0.00 0.00 0.00 61.98 63.33 3iie s VAL 94 Cb 0.19 -3.78 -0.22 0.00 0.00 0.00 0.00 36.38 32.58 3iie s VAL 94 CO 0.32 0.38 0.11 0.47 0.00 0.00 0.00 175.10 176.38 3iie n ASP 95 N 3.33 1.39 -3.93 3.32 8.00 -0.70 -4.94 116.55 123.03 3iie n ASP 95 Ca -0.09 0.06 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 3iie n ASP 95 Cb 0.52 -0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 41.32 3iie n ASP 95 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3iie s GLN 96 N -2.53 1.04 -0.17 -1.24 0.74 -0.73 -2.55 119.66 114.22 3iie s GLN 96 Ca -0.22 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.01 3iie s GLN 96 Cb 0.08 -0.97 0.01 0.00 1.10 0.00 0.00 33.01 33.23 3iie s GLN 96 CO 0.73 -0.04 -0.19 0.08 -0.55 0.00 0.00 175.29 175.32 3iie s VAL 97 N 0.80 2.21 -0.51 1.34 1.01 -0.28 -1.20 120.40 123.76 3iie s VAL 97 Ca -0.12 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 3iie s VAL 97 Cb -0.15 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.35 3iie s VAL 97 CO 0.01 0.53 0.87 -0.32 0.00 0.00 0.00 175.10 176.19 3iie s MET 98 N 1.13 3.34 -0.97 2.72 1.75 0.90 -0.95 119.30 127.22 3iie s MET 98 Ca 0.01 -0.26 -0.18 0.00 -1.25 0.00 0.00 55.69 54.01 3iie s MET 98 Cb -0.14 -4.02 0.14 0.00 2.84 0.00 0.00 34.83 33.65 3iie s MET 98 CO -0.08 -1.35 1.17 0.00 -0.65 0.00 0.00 175.02 174.11 3iie s ALA 99 N 3.62 3.51 -0.06 4.11 0.00 -0.12 -1.19 121.76 131.64 3iie s ALA 99 Ca 0.29 -2.89 0.08 0.00 0.00 0.00 0.00 51.96 49.44 3iie s ALA 99 Cb -0.13 -4.04 0.12 0.00 0.00 0.00 0.00 23.12 19.07 3iie s ALA 99 CO 0.20 -2.92 1.01 0.00 0.00 0.00 0.00 175.76 174.05 3iie n ALA 100 N 6.29 2.01 -2.08 0.00 0.00 0.07 -0.86 120.51 125.94 3iie n ALA 100 Ca 0.26 -1.64 -0.42 0.00 0.00 0.00 0.00 53.44 51.64 3iie n ALA 100 Cb 0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 3iie n ALA 100 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3iie s ILE 101 N -1.57 3.39 0.58 0.00 1.01 -0.90 -4.61 121.20 119.09 3iie s ILE 101 Ca 0.14 0.80 -0.09 0.00 0.00 0.00 0.00 60.65 61.50 3iie s ILE 101 Cb 0.12 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 3iie s ILE 101 CO 0.01 -0.01 0.94 0.68 0.00 0.00 0.00 174.94 176.57 3iie s VAL 102 N 2.58 4.57 0.01 2.92 -7.23 -1.26 -4.11 120.40 117.87 3iie s VAL 102 Ca 0.69 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 3iie s VAL 102 Cb -0.35 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 32.79 3iie s VAL 102 CO 0.29 -0.94 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 3iie n GLY 103 N -2.59 -2.25 0.28 2.32 0.00 -1.26 -3.40 105.19 98.29 3iie n GLY 103 Ca 0.04 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.64 3iie n GLY 103 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3iie h ILE 104 N -0.03 0.84 -0.01 -0.61 2.04 -1.94 0.85 117.51 118.65 3iie h ILE 104 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3iie h ILE 104 Cb 0.03 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3iie h ILE 104 CO 0.00 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.20 3iie h ALA 105 N 1.99 1.12 0.00 1.87 0.00 -1.93 -1.50 119.26 120.81 3iie h ALA 105 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3iie h ALA 105 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3iie h ALA 105 CO -0.00 -0.05 0.00 0.78 0.00 0.00 0.00 179.25 179.98 3iie h GLY 106 N 0.00 0.00 0.64 0.00 0.00 -0.83 -3.38 103.07 99.50 3iie h GLY 106 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3iie h GLY 106 CO -0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3iie h LEU 107 N 0.00 -0.09 -0.64 3.11 3.38 -1.41 -2.64 115.31 117.02 3iie h LEU 107 Ca 0.00 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3iie h LEU 107 Cb 0.81 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 3iie h LEU 107 CO 0.00 -0.01 0.24 -0.65 0.09 0.00 0.00 178.44 178.11 3iie h PRO 108 N 0.08 0.97 -0.28 1.13 0.11 -1.79 -0.11 132.00 132.12 3iie h PRO 108 Ca 0.11 -0.19 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 3iie h PRO 108 Cb 0.14 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3iie h PRO 108 CO -0.19 0.83 -0.32 0.66 -0.21 0.00 0.00 178.00 178.77 3iie h SER 109 N 0.91 0.61 -0.49 -2.05 4.64 -1.82 -1.39 113.55 113.96 3iie h SER 109 Ca 0.21 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3iie h SER 109 Cb 0.23 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3iie h SER 109 CO -0.01 0.89 0.31 0.74 -0.87 0.00 0.00 176.83 177.89 3iie h THR 110 N 0.50 1.14 -0.00 2.95 2.02 -1.07 -0.75 112.91 117.69 3iie h THR 110 Ca 0.06 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 3iie h THR 110 Cb 0.80 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3iie h THR 110 CO 0.07 0.13 -0.62 0.25 0.37 0.00 0.00 175.52 175.72 3iie h LEU 111 N 0.66 0.01 -0.44 2.58 6.46 -0.69 -0.35 115.31 123.54 3iie h LEU 111 Ca 0.18 -0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.76 3iie h LEU 111 Cb -0.05 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3iie h LEU 111 CO -0.04 0.62 -0.59 0.00 -0.62 0.00 0.00 178.44 177.82 3iie h ALA 112 N 1.38 0.61 -0.09 1.25 0.00 -0.83 0.14 119.26 121.72 3iie h ALA 112 Ca -0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3iie h ALA 112 Cb 1.09 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iie h ALA 112 CO 0.08 0.70 0.02 0.00 0.00 0.00 0.00 179.25 180.05 3iie h ALA 113 N 0.89 0.11 -0.78 0.00 0.00 -0.30 -2.15 119.26 117.02 3iie h ALA 113 Ca -0.00 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3iie h ALA 113 Cb 1.16 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3iie h ALA 113 CO 0.11 -0.26 0.44 0.82 0.00 0.00 0.00 179.25 180.36 3iie h ILE 114 N -0.06 0.91 0.00 0.00 2.04 -0.95 -0.04 117.51 119.40 3iie h ILE 114 Ca 0.03 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3iie h ILE 114 Cb 0.23 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 3iie h ILE 114 CO -0.00 0.14 -0.01 0.03 0.00 0.00 0.00 178.15 178.31 3iie h ARG 115 N 0.75 0.00 -0.30 2.37 3.08 -0.62 -2.73 114.38 116.94 3iie h ARG 115 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3iie h ARG 115 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3iie h ARG 115 CO -0.24 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.67 3iie n ALA 116 N -2.10 2.45 -0.94 0.04 0.00 -0.03 -4.91 120.51 115.02 3iie n ALA 116 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3iie n ALA 116 Cb 0.29 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3iie n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iie n GLY 117 N 0.98 0.70 3.73 0.00 0.00 -1.03 -5.01 105.19 104.56 3iie n GLY 117 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3iie n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iie s LYS 118 N -0.23 2.36 -0.07 1.61 -0.14 -1.22 -4.37 119.74 117.66 3iie s LYS 118 Ca 0.00 1.76 -0.29 0.00 -1.36 0.00 0.00 55.97 56.07 3iie s LYS 118 Cb 0.00 -1.86 -0.06 0.00 -1.68 0.00 0.00 37.83 34.23 3iie s LYS 118 CO 0.00 -1.67 1.89 -1.14 -0.76 0.00 0.00 175.35 173.67 3iie s GLN 119 N -3.80 3.92 -0.15 1.68 0.74 -1.06 -2.20 119.66 118.79 3iie s GLN 119 Ca 0.75 2.27 -0.00 0.00 0.05 0.00 0.00 55.36 58.42 3iie s GLN 119 Cb -0.29 -4.14 -0.01 0.00 1.10 0.00 0.00 33.01 29.67 3iie s GLN 119 CO 0.43 -1.19 -0.13 0.08 -0.55 0.00 0.00 175.29 173.93 3iie s VAL 120 N 5.16 2.92 -0.38 1.34 1.01 0.24 -1.12 120.40 129.57 3iie s VAL 120 Ca 0.85 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 3iie s VAL 120 Cb -0.36 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3iie s VAL 120 CO 0.36 0.51 0.37 -0.76 0.00 0.00 0.00 175.10 175.59 3iie s LEU 121 N 0.61 4.69 -0.44 3.92 1.02 -0.13 -0.65 118.68 127.71 3iie s LEU 121 Ca -0.08 -0.50 -0.22 0.00 0.02 0.00 0.00 54.13 53.35 3iie s LEU 121 Cb -0.16 -2.32 0.02 0.00 0.02 0.00 0.00 46.19 43.76 3iie s LEU 121 CO 0.03 -0.44 0.72 -0.22 0.02 0.00 0.00 176.35 176.47 3iie s LEU 122 N 2.00 4.35 -0.00 1.79 2.96 -0.52 -0.95 118.68 128.31 3iie s LEU 122 Ca 0.11 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3iie s LEU 122 Cb -0.17 -2.87 -0.01 0.00 0.50 0.00 0.00 46.19 43.64 3iie s LEU 122 CO 0.12 -0.85 0.03 0.00 -1.32 0.00 0.00 176.35 174.33 3iie n ALA 123 N 6.51 2.07 -2.66 5.97 0.00 -0.04 -3.20 120.51 129.15 3iie n ALA 123 Ca 0.01 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 3iie n ALA 123 Cb 0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 3iie n ALA 123 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3iie s ASN 124 N -1.40 6.91 0.05 0.00 3.84 -0.66 -4.86 114.94 118.82 3iie s ASN 124 Ca 0.00 1.12 0.16 0.00 0.21 0.00 0.00 52.86 54.35 3iie s ASN 124 Cb 0.01 -2.44 -0.15 0.00 -0.55 0.00 0.00 41.25 38.12 3iie s ASN 124 CO 0.03 -0.41 0.80 2.29 -2.79 0.00 0.00 177.10 177.03 3iie n LYS 125 N 5.34 0.62 0.23 0.43 2.85 -1.26 -4.22 118.16 122.15 3iie n LYS 125 Ca 0.04 0.24 0.09 0.00 -1.05 0.00 0.00 58.31 57.63 3iie n LYS 125 Cb 0.49 -1.81 0.54 0.00 -0.65 0.00 0.00 35.03 33.60 3iie n LYS 125 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3iie h GLU 126 N 0.00 0.00 -0.79 -1.58 3.07 -1.93 -2.51 114.58 110.84 3iie h GLU 126 Ca -0.18 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.82 3iie h GLU 126 Cb 1.65 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.46 3iie h GLU 126 CO 0.05 0.22 0.36 0.77 -1.40 0.00 0.00 179.01 179.01 3iie h SER 127 N 0.00 0.39 0.14 1.42 0.02 -1.89 -0.77 113.55 112.86 3iie h SER 127 Ca -0.00 0.10 -0.35 0.00 -0.84 0.00 0.00 61.79 60.69 3iie h SER 127 Cb 0.58 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 3iie h SER 127 CO 0.03 0.16 -2.19 0.18 -1.14 0.00 0.00 176.83 173.88 3iie n LEU 128 N -4.94 1.14 0.13 5.07 4.32 -1.04 -2.12 117.00 119.56 3iie n LEU 128 Ca 0.15 0.10 0.14 0.00 -0.02 0.00 0.00 56.01 56.38 3iie n LEU 128 Cb 0.41 -0.06 0.66 0.00 -1.62 0.00 0.00 43.42 42.81 3iie n LEU 128 CO 0.20 0.60 1.13 0.40 -1.22 0.00 0.00 177.39 178.50 3iie h ILE 129 N 0.01 0.88 0.00 -0.08 2.04 -1.33 -3.21 117.51 115.81 3iie h ILE 129 Ca -0.47 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 3iie h ILE 129 Cb 2.09 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3iie h ILE 129 CO 0.03 0.00 -1.26 0.35 0.00 0.00 0.00 178.15 177.27 3iie n THR 130 N -4.46 0.26 -3.04 -0.27 -2.24 -0.31 -3.80 114.28 100.42 3iie n THR 130 Ca 0.03 -0.13 -0.15 0.00 -2.27 0.00 0.00 64.05 61.53 3iie n THR 130 Cb 0.33 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.77 3iie n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iie h GLY 132 N 3.09 0.79 1.04 0.00 0.00 -1.54 -1.70 103.07 104.75 3iie h GLY 132 Ca 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 3iie h GLY 132 CO 0.38 0.07 0.39 1.70 0.00 0.00 0.00 176.54 179.08 3iie h LYS 133 N 0.49 1.23 -0.16 4.80 3.64 -1.90 0.86 116.57 125.53 3iie h LYS 133 Ca 0.26 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3iie h LYS 133 Cb 0.23 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3iie h LYS 133 CO -0.21 0.95 -0.03 1.25 -2.27 0.00 0.00 179.45 179.14 3iie h LEU 134 N 1.21 0.30 -0.28 5.20 5.85 -1.84 -1.05 115.31 124.71 3iie h LEU 134 Ca 0.29 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3iie h LEU 134 Cb 0.15 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3iie h LEU 134 CO -0.03 0.59 0.18 -0.26 -0.34 0.00 0.00 178.44 178.58 3iie h PHE 135 N 0.01 0.35 -0.00 1.25 0.04 -0.85 -1.12 116.94 116.62 3iie h PHE 135 Ca 0.04 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 3iie h PHE 135 Cb 0.45 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3iie h PHE 135 CO 0.05 0.23 -0.76 0.52 -0.60 0.00 0.00 178.31 177.75 3iie h MET 136 N 0.37 0.04 -0.81 1.51 2.86 -0.84 -0.60 114.93 117.47 3iie h MET 136 Ca 0.10 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3iie h MET 136 Cb -0.03 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3iie h MET 136 CO -0.02 0.78 0.34 -0.44 1.06 0.00 0.00 176.91 178.63 3iie h ASP 137 N 0.03 1.11 -0.69 1.22 3.32 -1.10 -2.00 116.42 118.31 3iie h ASP 137 Ca -0.01 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 3iie h ASP 137 Cb 1.34 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3iie h ASP 137 CO 0.10 0.97 0.17 -0.33 -1.72 0.00 0.00 179.24 178.43 3iie h GLU 138 N 1.18 1.10 -0.15 3.56 4.39 -0.78 -1.38 114.58 122.49 3iie h GLU 138 Ca 0.27 -0.26 0.05 0.00 0.34 0.00 0.00 59.36 59.76 3iie h GLU 138 Cb 0.19 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 3iie h GLU 138 CO -0.03 0.97 -0.28 0.28 -1.16 0.00 0.00 179.01 178.80 3iie h VAL 139 N 1.03 0.36 -0.61 3.13 2.07 -0.90 -0.41 116.25 120.93 3iie h VAL 139 Ca 0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 3iie h VAL 139 Cb 0.37 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3iie h VAL 139 CO 0.00 0.00 0.34 0.50 0.02 0.00 0.00 177.57 178.43 3iie h LYS 140 N -0.34 0.84 -0.02 1.57 3.64 -1.25 0.43 116.57 121.45 3iie h LYS 140 Ca 0.11 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3iie h LYS 140 Cb 0.50 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3iie h LYS 140 CO -0.34 0.63 -0.23 0.00 -2.27 0.00 0.00 179.45 177.24 3iie h ARG 141 N 0.82 -0.33 0.00 1.90 3.08 -0.80 -2.94 114.38 116.11 3iie h ARG 141 Ca 0.21 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3iie h ARG 141 Cb 0.03 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3iie h ARG 141 CO -0.04 -0.22 -0.37 0.66 -1.07 0.00 0.00 179.97 178.93 3iie h SER 142 N -0.35 0.00 -0.53 7.04 4.64 -0.92 -3.47 113.55 119.97 3iie h SER 142 Ca 0.07 -0.10 -0.23 0.00 -0.47 0.00 0.00 61.79 61.06 3iie h SER 142 Cb 0.44 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.44 3iie h SER 142 CO -0.22 0.05 -0.20 0.54 -0.87 0.00 0.00 176.83 176.13 3iie n ARG 143 N -2.29 -0.78 -1.43 4.77 3.00 0.15 -4.56 116.66 115.51 3iie n ARG 143 Ca 0.04 0.88 -0.36 0.00 -0.01 0.00 0.00 57.85 58.41 3iie n ARG 143 Cb 0.45 -4.86 0.09 0.00 0.00 0.00 0.00 32.46 28.14 3iie n ARG 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3iie n ALA 144 N 1.20 0.18 -2.95 7.54 0.00 -1.05 -4.94 120.51 120.49 3iie n ALA 144 Ca -0.11 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 52.79 3iie n ALA 144 Cb 0.37 -2.19 -0.12 0.00 0.00 0.00 0.00 19.45 17.51 3iie n ALA 144 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3iie s GLN 145 N -3.42 2.84 0.06 0.00 1.11 -0.94 -4.85 119.66 114.46 3iie s GLN 145 Ca 0.76 -1.06 -0.21 0.00 0.01 0.00 0.00 55.36 54.86 3iie s GLN 145 Cb -0.35 -3.62 -0.06 0.00 -1.01 0.00 0.00 33.01 27.96 3iie s GLN 145 CO 0.47 -0.65 0.61 -0.51 0.01 0.00 0.00 175.29 175.22 3iie s LEU 146 N 1.52 4.51 -0.11 2.90 1.43 -1.26 0.83 118.68 128.49 3iie s LEU 146 Ca 0.01 1.29 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 3iie s LEU 146 Cb -0.19 -2.97 0.04 0.00 0.03 0.00 0.00 46.19 43.10 3iie s LEU 146 CO 0.05 0.21 0.02 -0.76 0.23 0.00 0.00 176.35 176.11 3iie s LEU 147 N -0.83 0.67 0.28 1.79 1.02 0.17 -4.83 118.68 116.95 3iie s LEU 147 Ca 0.31 -0.31 -0.29 0.00 0.02 0.00 0.00 54.13 53.85 3iie s LEU 147 Cb -0.20 -0.43 -0.10 0.00 0.02 0.00 0.00 46.19 45.48 3iie s LEU 147 CO 0.20 -0.24 1.26 -2.16 0.02 0.00 0.00 176.35 175.42 3iie s PRO 148 N 1.98 4.43 -0.00 1.29 0.04 -1.26 -1.44 135.00 140.04 3iie s PRO 148 Ca 0.03 2.07 0.15 0.00 0.04 0.00 0.00 61.00 63.30 3iie s PRO 148 Cb -0.14 -3.13 -0.17 0.00 0.04 0.00 0.00 34.50 31.10 3iie s PRO 148 CO -0.06 -0.11 0.60 0.44 0.04 0.00 0.00 177.00 177.91 3iie n ILE 149 N 1.41 0.00 -2.45 0.56 -6.64 -1.19 -4.36 119.36 106.69 3iie n ILE 149 Ca 0.01 -0.17 -0.36 0.00 -1.77 0.00 0.00 62.75 60.46 3iie n ILE 149 Cb 0.43 0.89 -0.03 0.00 -1.44 0.00 0.00 39.64 39.49 3iie n ILE 149 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3iie s ASP 150 N -2.60 6.45 0.21 7.28 2.15 -1.26 -4.42 116.67 124.48 3iie s ASP 150 Ca 0.04 2.10 -0.09 0.00 0.43 0.00 0.00 52.55 55.03 3iie s ASP 150 Cb 0.11 -2.58 0.29 0.00 -0.30 0.00 0.00 42.92 40.43 3iie s ASP 150 CO 0.62 -0.71 1.76 0.77 -0.17 0.00 0.00 175.17 177.44 3iie h SER 151 N 2.11 0.30 -0.12 -0.34 4.64 -1.94 -0.57 113.55 117.64 3iie h SER 151 Ca -0.49 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 3iie h SER 151 Cb 1.23 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3iie h SER 151 CO 0.61 0.18 -0.00 -0.33 -0.87 0.00 0.00 176.83 176.41 3iie h GLU 152 N 0.47 0.22 -0.36 4.77 3.07 -1.92 -0.94 114.58 119.89 3iie h GLU 152 Ca 0.32 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 3iie h GLU 152 Cb 0.36 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 3iie h GLU 152 CO -0.29 0.46 0.00 0.45 -1.40 0.00 0.00 179.01 178.24 3iie h HIS 153 N -0.05 0.59 -0.11 4.33 3.86 -1.83 -0.91 115.15 121.04 3iie h HIS 153 Ca 0.03 -0.06 -0.16 0.00 -1.16 0.00 0.00 60.37 59.03 3iie h HIS 153 Cb 0.37 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 3iie h HIS 153 CO 0.03 0.57 -0.61 -0.97 0.86 0.00 0.00 177.93 177.82 3iie h ASN 154 N 0.54 0.42 -0.20 2.45 -0.73 -0.97 -0.40 115.58 116.70 3iie h ASN 154 Ca 0.12 -0.24 -0.10 0.00 1.87 0.00 0.00 56.30 57.94 3iie h ASN 154 Cb 0.35 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.81 3iie h ASN 154 CO 0.01 0.93 -0.27 0.00 -0.37 0.00 0.00 177.43 177.72 3iie h ALA 155 N 1.08 0.30 -0.50 1.57 0.00 -0.70 -2.25 119.26 118.76 3iie h ALA 155 Ca -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.57 3iie h ALA 155 Cb 1.14 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3iie h ALA 155 CO 0.10 0.30 0.20 0.82 0.00 0.00 0.00 179.25 180.67 3iie h ILE 156 N 0.20 0.87 -0.56 0.00 2.04 -1.12 -1.68 117.51 117.25 3iie h ILE 156 Ca 0.02 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3iie h ILE 156 Cb 0.85 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3iie h ILE 156 CO 0.06 0.07 0.23 0.15 0.00 0.00 0.00 178.15 178.66 3iie h PHE 157 N 0.40 0.40 0.00 1.37 3.57 -0.96 -0.88 116.94 120.84 3iie h PHE 157 Ca 0.23 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 3iie h PHE 157 Cb 0.21 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 3iie h PHE 157 CO -0.14 0.14 -0.09 1.96 -2.23 0.00 0.00 178.31 177.94 3iie h GLN 158 N 0.43 0.00 -0.28 1.11 4.20 -1.21 -2.43 115.11 116.92 3iie h GLN 158 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3iie h GLN 158 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3iie h GLN 158 CO -0.25 0.09 0.00 0.43 -0.67 0.00 0.00 178.83 178.43 3iie n SER 159 N -3.23 2.15 -4.82 1.46 7.64 -0.38 -4.92 113.62 111.53 3iie n SER 159 Ca 0.00 -1.84 -0.25 0.00 1.01 0.00 0.00 58.87 57.80 3iie n SER 159 Cb 0.36 -0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 3iie n SER 159 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3iie s LEU 160 N -1.39 3.84 0.64 -3.43 1.43 -0.92 -4.71 118.68 114.13 3iie s LEU 160 Ca 0.32 -0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 3iie s LEU 160 Cb 0.18 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3iie s LEU 160 CO 0.25 0.03 1.19 -2.16 0.23 0.00 0.00 176.35 175.89 3iie s PRO 161 N -3.39 2.73 0.22 1.29 0.04 -1.26 -4.73 135.00 129.90 3iie s PRO 161 Ca 0.32 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.00 3iie s PRO 161 Cb -0.09 -1.91 0.30 0.00 0.04 0.00 0.00 34.50 32.84 3iie s PRO 161 CO 0.24 -1.37 1.78 1.49 0.04 0.00 0.00 177.00 179.18 3iie h GLU 162 N 0.43 0.57 -0.87 4.56 4.81 -1.97 0.57 114.58 122.69 3iie h GLU 162 Ca -0.49 -0.03 0.22 0.00 -0.13 0.00 0.00 59.36 58.92 3iie h GLU 162 Cb 1.29 -0.13 -0.15 0.00 0.63 0.00 0.00 28.75 30.39 3iie h GLU 162 CO 0.54 0.38 0.06 -0.09 -0.73 0.00 0.00 179.01 179.16 3iie h ARG 163 N 0.59 0.09 0.21 1.92 2.43 -1.97 0.36 114.38 118.00 3iie h ARG 163 Ca 0.33 -0.01 -0.32 0.00 -0.81 0.00 0.00 59.98 59.18 3iie h ARG 163 Cb 0.33 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3iie h ARG 163 CO -0.25 0.06 -1.44 0.82 -1.51 0.00 0.00 179.97 177.65 3iie h ILE 164 N 0.09 1.31 -0.15 1.20 2.04 -1.58 -3.18 117.51 117.24 3iie h ILE 164 Ca 0.51 -2.80 0.03 0.00 1.00 0.00 0.00 64.86 63.59 3iie h ILE 164 Cb 0.98 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 3iie h ILE 164 CO -0.76 0.84 0.10 1.56 0.00 0.00 0.00 178.15 179.90 3iie h GLN 165 N 0.12 0.09 -0.30 2.37 4.20 0.64 0.10 115.11 122.32 3iie h GLN 165 Ca -0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3iie h GLN 165 Cb 2.10 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.86 3iie h GLN 165 CO 0.24 0.06 0.00 0.54 -0.67 0.00 0.00 178.83 179.00 3iie n ARG 166 N -4.51 2.38 -2.61 1.46 1.74 0.11 -4.00 116.66 111.23 3iie n ARG 166 Ca 0.00 -2.07 -0.11 0.00 -0.77 0.00 0.00 57.85 54.90 3iie n ARG 166 Cb 0.17 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3iie n ARG 166 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3iie n GLN 167 N 1.31 1.97 -1.66 5.56 6.02 -0.02 -5.02 117.38 125.54 3iie n GLN 167 Ca 0.18 -3.64 -0.46 0.00 -0.01 0.00 0.00 57.00 53.08 3iie n GLN 167 Cb 0.57 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 3iie n GLN 167 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3iie n LEU 168 N -0.36 3.67 0.00 1.08 7.94 -0.93 -1.90 117.00 126.50 3iie n LEU 168 Ca 0.17 0.86 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 3iie n LEU 168 Cb 0.80 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.31 3iie n LEU 168 CO 0.24 -0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 3iie n GLY 169 N 4.67 0.37 0.07 -3.96 0.00 -1.02 -4.77 105.19 100.55 3iie n GLY 169 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 3iie n GLY 169 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3iie n TYR 170 N -2.47 0.00 -4.19 1.61 0.18 -0.80 -4.53 117.16 106.96 3iie n TYR 170 Ca 0.00 -0.32 -0.23 0.00 1.88 0.00 0.00 57.90 59.23 3iie n TYR 170 Cb 0.15 -0.04 -0.06 0.00 -0.38 0.00 0.00 39.34 39.00 3iie n TYR 170 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 3iie s SER 171 N -0.88 4.71 -0.21 9.48 1.04 -1.06 -5.09 113.70 121.70 3iie s SER 171 Ca 0.04 -0.66 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 3iie s SER 171 Cb 0.04 -0.85 -0.02 0.00 0.10 0.00 0.00 66.02 65.28 3iie s SER 171 CO 0.00 -0.14 0.68 -0.55 0.98 0.00 0.00 173.24 174.22 3iie s SER 172 N -3.77 6.72 0.16 7.02 0.15 -1.26 -4.83 113.70 117.89 3iie s SER 172 Ca 0.34 0.88 -0.17 0.00 0.70 0.00 0.00 55.95 57.71 3iie s SER 172 Cb -0.05 -2.37 0.08 0.00 -1.71 0.00 0.00 66.02 61.97 3iie s SER 172 CO 0.22 -0.34 1.71 -0.07 1.20 0.00 0.00 173.24 175.96 3iie h LEU 173 N 8.49 -0.09 -0.40 3.45 3.38 -1.85 -2.94 115.31 125.36 3iie h LEU 173 Ca -0.29 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3iie h LEU 173 Cb 1.13 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3iie h LEU 173 CO 0.79 -0.01 -0.10 -1.13 0.09 0.00 0.00 178.44 178.09 3iie h ASN 174 N 0.13 0.77 0.31 -0.43 -1.24 -1.92 -0.40 115.58 112.80 3iie h ASN 174 Ca 0.17 -0.36 -0.06 0.00 0.71 0.00 0.00 56.30 56.75 3iie h ASN 174 Cb 0.22 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.05 3iie h ASN 174 CO -0.26 0.96 -0.30 -0.33 -1.29 0.00 0.00 177.43 176.20 3iie h GLU 175 N 0.58 0.00 -0.66 6.67 4.39 -1.88 -2.09 114.58 121.59 3iie h GLU 175 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3iie h GLU 175 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3iie h GLU 175 CO 0.04 0.30 0.00 0.09 -1.16 0.00 0.00 179.01 178.28 3iie n ASN 176 N -4.16 3.74 0.00 1.42 3.02 -0.96 -4.91 115.26 113.40 3iie n ASN 176 Ca -0.02 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.08 3iie n ASN 176 Cb 0.35 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 3iie n ASN 176 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iie n GLY 177 N 0.66 0.60 3.71 7.41 0.00 -0.79 -4.94 105.19 111.84 3iie n GLY 177 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3iie n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iie s VAL 178 N -2.36 5.03 -0.22 1.61 1.01 -0.20 -1.30 120.40 123.98 3iie s VAL 178 Ca 0.00 1.43 -0.07 0.00 0.00 0.00 0.00 61.98 63.34 3iie s VAL 178 Cb 0.00 -4.04 -0.18 0.00 0.00 0.00 0.00 36.38 32.16 3iie s VAL 178 CO 0.00 0.22 -0.06 -0.24 0.00 0.00 0.00 175.10 175.03 3iie n SER 179 N 3.99 1.99 -3.63 3.32 2.88 -0.69 -3.75 113.62 117.73 3iie n SER 179 Ca -0.01 0.13 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 3iie n SER 179 Cb 0.51 -0.69 -0.07 0.00 -0.75 0.00 0.00 64.21 63.21 3iie n SER 179 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3iie s ARG 180 N -2.51 0.60 0.04 -1.46 3.52 -1.10 -4.59 118.95 113.45 3iie s ARG 180 Ca -0.32 0.62 -0.18 0.00 -0.13 0.00 0.00 55.73 55.72 3iie s ARG 180 Cb 0.09 0.29 -0.06 0.00 -1.56 0.00 0.00 34.95 33.71 3iie s ARG 180 CO 0.61 -0.09 0.52 0.42 -0.81 0.00 0.00 175.30 175.95 3iie s ILE 181 N 0.08 4.84 -0.40 4.11 1.01 0.18 -1.03 121.20 130.00 3iie s ILE 181 Ca 0.02 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.74 3iie s ILE 181 Cb -0.04 -3.84 0.10 0.00 0.01 0.00 0.00 42.46 38.69 3iie s ILE 181 CO -0.03 0.55 0.18 -0.63 0.00 0.00 0.00 174.94 175.01 3iie s ILE 182 N -1.02 3.26 -0.19 2.92 1.01 0.92 -1.39 121.20 126.71 3iie s ILE 182 Ca 0.27 -1.99 -0.25 0.00 0.00 0.00 0.00 60.65 58.69 3iie s ILE 182 Cb -0.19 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 3iie s ILE 182 CO 0.17 -0.63 0.81 -0.22 0.00 0.00 0.00 174.94 175.07 3iie s LEU 183 N 1.15 4.15 0.23 2.97 2.96 -0.20 -1.61 118.68 128.33 3iie s LEU 183 Ca 0.07 1.11 0.07 0.00 -0.22 0.00 0.00 54.13 55.16 3iie s LEU 183 Cb -0.22 -3.19 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3iie s LEU 183 CO -0.04 -0.42 0.10 0.42 -1.32 0.00 0.00 176.35 175.10 3iie s THR 184 N 2.30 4.08 0.24 3.68 -4.23 -1.26 -1.32 115.64 119.13 3iie s THR 184 Ca 0.37 -1.47 -0.22 0.00 -1.18 0.00 0.00 61.69 59.19 3iie s THR 184 Cb -0.16 -3.15 0.05 0.00 1.34 0.00 0.00 72.50 70.58 3iie s THR 184 CO 0.11 -0.27 0.87 -0.83 -0.54 0.00 0.00 174.62 173.96 3iie s GLY 185 N -3.50 -0.03 0.36 3.99 0.00 -0.79 -4.90 107.32 102.45 3iie s GLY 185 Ca 0.31 -0.23 0.18 0.00 0.00 0.00 0.00 44.72 44.98 3iie s GLY 185 CO 0.22 0.27 1.69 1.48 0.00 0.00 0.00 173.10 176.75 3iie h SER 186 N 2.00 0.00 0.00 1.64 4.64 -1.87 0.43 113.55 120.39 3iie h SER 186 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3iie h SER 186 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3iie h SER 186 CO 0.29 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 3iie n GLY 187 N 0.41 0.93 0.00 -0.77 0.00 -1.26 -4.20 105.19 100.29 3iie n GLY 187 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3iie n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iie n GLY 188 N -2.00 -1.07 0.03 -0.02 0.00 -1.25 -3.78 105.19 97.09 3iie n GLY 188 Ca 0.00 -1.61 0.07 0.00 0.00 0.00 0.00 46.02 44.48 3iie n GLY 188 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iie n PRO 189 N -0.90 0.04 -0.60 1.61 -0.04 -1.26 -3.33 135.00 130.52 3iie n PRO 189 Ca 0.00 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 63.85 3iie n PRO 189 Cb 0.00 -1.58 0.29 0.00 -0.04 0.00 0.00 33.50 32.17 3iie n PRO 189 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iie n PHE 190 N -1.66 1.30 0.13 0.54 3.72 -1.26 -4.58 117.46 115.65 3iie n PHE 190 Ca 0.03 -0.91 0.08 0.00 -0.05 0.00 0.00 57.45 56.59 3iie n PHE 190 Cb 0.15 -0.39 0.57 0.00 -0.94 0.00 0.00 39.48 38.86 3iie n PHE 190 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3iie h ARG 191 N 2.27 0.20 -0.09 -1.08 2.43 -1.65 -2.82 114.38 113.65 3iie h ARG 191 Ca 0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3iie h ARG 191 Cb 1.64 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 3iie h ARG 191 CO 0.33 0.13 0.00 0.39 -1.51 0.00 0.00 179.97 179.31 3iie n GLU 192 N -4.50 2.30 -2.21 0.20 1.02 -1.26 -5.02 120.64 111.16 3iie n GLU 192 Ca 0.01 -1.48 -0.41 0.00 -0.02 0.00 0.00 57.16 55.25 3iie n GLU 192 Cb 0.14 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 3iie n GLU 192 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3iie s THR 193 N -0.86 3.16 0.29 2.62 2.01 -1.07 -4.96 115.64 116.83 3iie s THR 193 Ca 0.06 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 62.75 3iie s THR 193 Cb 0.03 -3.63 -0.13 0.00 0.01 0.00 0.00 72.50 68.79 3iie s THR 193 CO 0.05 0.16 1.37 -2.65 -0.69 0.00 0.00 174.62 172.86 3iie n PRO 194 N 2.40 2.14 0.04 4.92 -0.02 -1.26 -4.85 135.00 138.37 3iie n PRO 194 Ca 0.05 0.76 0.08 0.00 -2.02 0.00 0.00 63.50 62.37 3iie n PRO 194 Cb 0.43 -2.39 0.52 0.00 -0.02 0.00 0.00 33.50 32.03 3iie n PRO 194 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3iie h LEU 195 N 3.51 0.30 -1.28 2.45 4.07 -1.97 0.13 115.31 122.51 3iie h LEU 195 Ca -0.46 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3iie h LEU 195 Cb 1.27 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.95 3iie h LEU 195 CO 0.70 0.20 0.00 0.77 -1.08 0.00 0.00 178.44 179.03 3iie h SER 196 N 0.34 0.00 0.10 -0.43 4.64 -2.02 -1.17 113.55 115.00 3iie h SER 196 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3iie h SER 196 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3iie h SER 196 CO -0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 175.79 3iie n GLN 197 N -2.46 1.31 -0.11 4.77 6.02 0.44 -4.29 117.38 123.07 3iie n GLN 197 Ca 0.00 -0.81 -0.13 0.00 -0.01 0.00 0.00 57.00 56.05 3iie n GLN 197 Cb 0.16 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 3iie n GLN 197 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3iie h PHE 198 N 1.97 0.97 -0.03 1.08 -1.00 -1.32 -2.12 116.94 116.49 3iie h PHE 198 Ca 0.00 -0.29 0.01 0.00 2.81 0.00 0.00 57.97 60.50 3iie h PHE 198 Cb 0.54 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 39.89 3iie h PHE 198 CO 0.00 1.07 0.08 0.66 -1.61 0.00 0.00 178.31 178.52 3iie h SER 199 N 0.58 0.00 -0.03 2.17 4.64 -1.77 -1.71 113.55 117.43 3iie h SER 199 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3iie h SER 199 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3iie h SER 199 CO 0.08 0.00 -0.01 0.47 -0.87 0.00 0.00 176.83 176.50 3iie n ASP 200 N -3.36 2.97 -4.73 4.97 8.00 -0.81 -4.53 116.55 119.06 3iie n ASP 200 Ca -0.02 -1.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.07 3iie n ASP 200 Cb 0.16 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 3iie n ASP 200 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3iie n VAL 201 N 1.32 0.32 -3.63 2.53 0.31 -0.64 -4.99 118.33 113.54 3iie n VAL 201 Ca 0.14 -0.08 -0.21 0.00 -0.01 0.00 0.00 64.34 64.18 3iie n VAL 201 Cb 0.59 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.49 3iie n VAL 201 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3iie s THR 202 N 0.81 2.65 0.20 2.52 -4.23 -1.26 -4.22 115.64 112.11 3iie s THR 202 Ca 0.71 -1.38 -0.10 0.00 -1.18 0.00 0.00 61.69 59.74 3iie s THR 202 Cb -0.50 -3.01 0.15 0.00 1.34 0.00 0.00 72.50 70.48 3iie s THR 202 CO 0.37 -0.01 1.85 -0.65 -0.54 0.00 0.00 174.62 175.64 3iie h PRO 203 N 1.08 1.01 -0.60 3.99 0.11 -1.92 -2.61 132.00 133.06 3iie h PRO 203 Ca -0.42 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3iie h PRO 203 Cb 1.26 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3iie h PRO 203 CO 0.59 0.71 0.16 -0.44 -0.21 0.00 0.00 178.00 178.81 3iie h ASP 204 N 1.01 0.85 -0.66 -2.05 3.32 -1.96 -1.21 116.42 115.73 3iie h ASP 204 Ca 0.27 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3iie h ASP 204 Cb -0.03 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3iie h ASP 204 CO -0.05 0.82 0.23 -0.61 -1.72 0.00 0.00 179.24 177.91 3iie h GLN 205 N 0.88 1.00 0.00 3.56 4.15 -1.94 -2.87 115.11 119.90 3iie h GLN 205 Ca 0.19 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3iie h GLN 205 Cb 0.29 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3iie h GLN 205 CO -0.00 0.86 -0.19 0.00 -1.93 0.00 0.00 178.83 177.56 3iie h ALA 206 N 1.10 0.99 0.00 3.38 0.00 -1.15 -3.36 119.26 120.22 3iie h ALA 206 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iie h ALA 206 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iie h ALA 206 CO -0.01 0.24 -1.32 0.00 0.00 0.00 0.00 179.25 178.16 3iie n ALA 208 N -1.77 4.97 -0.43 0.00 0.00 -1.10 -4.99 120.51 117.20 3iie n ALA 208 Ca 0.01 -2.45 -0.12 0.00 0.00 0.00 0.00 53.44 50.89 3iie n ALA 208 Cb 0.41 -3.15 0.20 0.00 0.00 0.00 0.00 19.45 16.91 3iie n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iie n GLY 215 N 3.85 -3.08 0.15 0.00 0.00 -1.26 -5.13 105.19 99.71 3iie n GLY 215 Ca 0.50 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 3iie n GLY 215 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iie h ARG 216 N 0.00 0.50 -0.04 1.61 2.43 -1.99 -1.97 114.38 114.92 3iie h ARG 216 Ca -0.27 -0.77 -0.16 0.00 -0.81 0.00 0.00 59.98 57.97 3iie h ARG 216 Cb 0.91 0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3iie h ARG 216 CO 0.16 1.36 -0.70 0.87 -1.51 0.00 0.00 179.97 180.14 3iie h LYS 217 N 0.17 0.20 0.00 0.20 1.57 -2.00 -2.78 116.57 113.93 3iie h LYS 217 Ca -0.20 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.27 3iie h LYS 217 Cb 2.02 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.35 3iie h LYS 217 CO 0.24 0.82 -0.68 -0.84 -0.57 0.00 0.00 179.45 178.43 3iie h ILE 218 N 0.14 1.45 -0.23 1.86 -0.00 -1.99 -2.56 117.51 116.19 3iie h ILE 218 Ca -0.02 -2.36 0.05 0.00 -0.00 0.00 0.00 64.86 62.54 3iie h ILE 218 Cb 1.25 2.28 -0.05 0.00 -0.00 0.00 0.00 36.82 40.30 3iie h ILE 218 CO 0.11 0.67 -0.11 0.28 -0.00 0.00 0.00 178.15 179.10 3iie h SER 219 N 0.00 -0.36 -0.44 2.16 0.02 -1.11 -1.56 113.55 112.26 3iie h SER 219 Ca -0.01 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 3iie h SER 219 Cb 1.23 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 3iie h SER 219 CO 0.09 -0.14 -0.13 0.58 -1.14 0.00 0.00 176.83 176.09 3iie h VAL 220 N -0.08 1.27 0.00 2.27 2.07 -1.35 -2.11 116.25 118.32 3iie h VAL 220 Ca 0.12 -1.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 3iie h VAL 220 Cb 0.26 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3iie h VAL 220 CO -0.28 0.44 -0.22 0.44 0.02 0.00 0.00 177.57 177.96 3iie h ASP 221 N 0.81 0.00 1.24 0.57 5.19 -1.18 0.07 116.42 123.12 3iie h ASP 221 Ca 0.13 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.44 3iie h ASP 221 Cb 0.67 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 3iie h ASP 221 CO 0.05 0.22 -0.80 0.77 -3.12 0.00 0.00 179.24 176.36 3iie h SER 222 N 0.00 0.00 0.58 6.45 4.64 -1.02 0.32 113.55 124.52 3iie h SER 222 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3iie h SER 222 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3iie h SER 222 CO 0.03 0.38 -1.00 0.00 -0.87 0.00 0.00 176.83 175.37 3iie h ALA 223 N 1.62 0.35 0.00 5.18 0.00 -0.75 -3.25 119.26 122.41 3iie h ALA 223 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3iie h ALA 223 Cb 1.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3iie h ALA 223 CO 0.04 0.94 -0.25 0.25 0.00 0.00 0.00 179.25 180.23 3iie n THR 224 N -3.62 0.10 -1.44 0.00 -2.24 -0.05 -4.81 114.28 102.24 3iie n THR 224 Ca -0.05 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 3iie n THR 224 Cb 0.88 -0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 3iie n THR 224 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3iie n MET 225 N -1.65 -1.02 -0.12 -0.78 2.81 -0.89 -4.40 117.12 111.07 3iie n MET 225 Ca 0.06 1.01 -0.04 0.00 -1.81 0.00 0.00 57.70 56.92 3iie n MET 225 Cb 0.36 -5.13 0.17 0.00 -0.71 0.00 0.00 33.22 27.91 3iie n MET 225 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 3iie h MET 226 N 0.00 0.81 -0.58 0.03 2.07 -0.81 -0.44 114.93 116.01 3iie h MET 226 Ca -0.30 -0.19 0.05 0.00 -2.07 0.00 0.00 59.70 57.19 3iie h MET 226 Cb 0.96 -0.11 -0.05 0.00 -1.87 0.00 0.00 31.60 30.53 3iie h MET 226 CO 0.44 0.78 0.30 -0.97 1.07 0.00 0.00 176.91 178.53 3iie h ASN 227 N 0.77 0.44 -0.28 1.22 -1.24 -1.14 0.29 115.58 115.64 3iie h ASN 227 Ca 0.16 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 3iie h ASN 227 Cb 0.38 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 3iie h ASN 227 CO 0.01 0.29 0.07 0.50 -1.29 0.00 0.00 177.43 177.01 3iie h LYS 228 N 0.57 0.45 -0.52 6.67 1.63 -1.67 0.68 116.57 124.39 3iie h LYS 228 Ca 0.26 -0.11 0.10 0.00 -0.85 0.00 0.00 60.65 60.05 3iie h LYS 228 Cb 0.16 -0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 31.65 3iie h LYS 228 CO -0.17 0.54 -0.02 0.78 -3.45 0.00 0.00 179.45 177.13 3iie h GLY 229 N 0.29 0.51 0.94 5.01 0.00 -0.64 0.38 103.07 109.55 3iie h GLY 229 Ca 0.09 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3iie h GLY 229 CO 0.00 -0.16 0.09 1.41 0.00 0.00 0.00 176.54 177.88 3iie h LEU 230 N 0.10 0.21 -1.60 3.11 3.38 -0.23 -2.23 115.31 118.05 3iie h LEU 230 Ca 0.26 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.28 3iie h LEU 230 Cb 0.40 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3iie h LEU 230 CO -0.45 0.24 0.49 -0.33 0.09 0.00 0.00 178.44 178.48 3iie h GLU 231 N 0.16 0.39 -0.08 1.13 5.08 -0.41 -1.20 114.58 119.65 3iie h GLU 231 Ca 0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3iie h GLU 231 Cb 0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3iie h GLU 231 CO -0.01 0.26 0.03 -0.92 -1.00 0.00 0.00 179.01 177.37 3iie h TYR 232 N 0.40 0.12 -0.28 4.33 3.20 0.32 -1.46 116.97 123.60 3iie h TYR 232 Ca 0.35 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.18 3iie h TYR 232 Cb 0.81 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3iie h TYR 232 CO -0.00 0.26 0.04 0.82 -1.64 0.00 0.00 178.16 177.63 3iie h ILE 233 N -0.05 1.24 -0.77 1.81 2.04 -1.09 -1.41 117.51 119.27 3iie h ILE 233 Ca 0.02 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3iie h ILE 233 Cb 0.19 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3iie h ILE 233 CO -0.00 0.26 0.51 -0.33 0.00 0.00 0.00 178.15 178.59 3iie h GLU 234 N 0.29 0.93 -0.54 2.37 5.08 -1.23 -2.93 114.58 118.55 3iie h GLU 234 Ca 0.08 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3iie h GLU 234 Cb 0.36 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3iie h GLU 234 CO 0.01 0.61 -0.12 0.00 -1.00 0.00 0.00 179.01 178.51 3iie h ALA 235 N 1.55 0.77 -0.69 3.43 0.00 -0.75 0.22 119.26 123.80 3iie h ALA 235 Ca 0.31 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3iie h ALA 235 Cb 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3iie h ALA 235 CO -0.09 0.67 0.46 0.00 0.00 0.00 0.00 179.25 180.29 3iie h ARG 236 N 0.90 0.75 0.01 0.00 2.47 -1.09 -1.34 114.38 116.09 3iie h ARG 236 Ca 0.14 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 3iie h ARG 236 Cb 0.68 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 3iie h ARG 236 CO 0.05 0.50 -0.16 -1.49 0.56 0.00 0.00 179.97 179.42 3iie h TRP 237 N 0.77 0.06 -0.68 3.04 4.06 -1.34 -1.15 115.95 120.70 3iie h TRP 237 Ca 0.29 -0.04 0.08 0.00 2.06 0.00 0.00 58.89 61.28 3iie h TRP 237 Cb 0.16 -0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.25 3iie h TRP 237 CO -0.00 1.06 0.34 1.25 -3.56 0.00 0.00 178.44 177.53 3iie h LEU 238 N -0.93 0.45 -2.37 -4.49 5.85 -0.55 -3.03 115.31 110.25 3iie h LEU 238 Ca -0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3iie h LEU 238 Cb 1.09 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3iie h LEU 238 CO 0.00 0.27 0.00 0.49 -0.34 0.00 0.00 178.44 178.86 3iie n PHE 239 N -4.86 0.49 -3.62 1.25 3.72 -0.51 -2.42 117.46 111.51 3iie n PHE 239 Ca 0.10 -0.29 -0.22 0.00 -0.05 0.00 0.00 57.45 56.99 3iie n PHE 239 Cb 0.25 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.85 3iie n PHE 239 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3iie n ASN 240 N 1.25 -3.83 -4.75 4.37 5.15 -1.13 -4.64 115.26 111.68 3iie n ASN 240 Ca 0.17 -0.66 -0.35 0.00 -0.60 0.00 0.00 54.58 53.14 3iie n ASN 240 Cb 0.54 -4.69 -0.08 0.00 -0.53 0.00 0.00 39.78 35.02 3iie n ASN 240 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iie s ALA 241 N -3.39 3.49 0.93 5.20 0.00 -0.45 -4.65 121.76 122.88 3iie s ALA 241 Ca 0.31 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.37 3iie s ALA 241 Cb -0.14 -1.63 0.19 0.00 0.00 0.00 0.00 23.12 21.54 3iie s ALA 241 CO 0.76 0.61 1.28 -1.54 0.00 0.00 0.00 175.76 176.87 3iie s SER 242 N -1.04 3.28 0.29 0.00 1.04 -1.26 -4.60 113.70 111.42 3iie s SER 242 Ca 0.15 0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 3iie s SER 242 Cb -0.12 -0.25 0.43 0.00 0.10 0.00 0.00 66.02 66.18 3iie s SER 242 CO 0.04 -2.61 1.96 0.00 0.98 0.00 0.00 173.24 173.61 3iie h ALA 243 N -1.48 1.39 0.00 5.32 0.00 -1.99 -2.32 119.26 120.18 3iie h ALA 243 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3iie h ALA 243 Cb 1.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3iie h ALA 243 CO 0.38 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.58 3iie n GLU 244 N -4.40 0.33 -0.51 0.00 4.71 -1.26 -3.13 120.64 116.38 3iie n GLU 244 Ca 0.09 0.07 0.08 0.00 -0.01 0.00 0.00 57.16 57.39 3iie n GLU 244 Cb 0.03 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.25 3iie n GLU 244 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3iie n GLN 245 N -1.28 3.41 -3.79 3.49 6.02 -0.87 -4.84 117.38 119.52 3iie n GLN 245 Ca 0.11 -2.77 -0.13 0.00 -0.01 0.00 0.00 57.00 54.20 3iie n GLN 245 Cb 0.18 -1.82 -0.11 0.00 1.02 0.00 0.00 30.24 29.50 3iie n GLN 245 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3iie s ILE 246 N -2.30 0.01 0.24 5.09 2.07 -1.18 -0.64 121.20 124.48 3iie s ILE 246 Ca 0.43 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.59 3iie s ILE 246 Cb 0.31 -0.40 -0.05 0.00 0.13 0.00 0.00 42.46 42.46 3iie s ILE 246 CO 0.14 -0.05 0.10 -1.83 -1.91 0.00 0.00 174.94 171.40 3iie s GLU 247 N -0.08 1.34 -0.12 3.50 -1.05 -0.48 -4.90 118.70 116.91 3iie s GLU 247 Ca -0.02 -1.72 0.03 0.00 -0.15 0.00 0.00 54.97 53.11 3iie s GLU 247 Cb -0.02 -0.13 0.01 0.00 -0.44 0.00 0.00 34.13 33.54 3iie s GLU 247 CO 0.01 -0.31 -0.21 0.08 0.95 0.00 0.00 175.26 175.78 3iie s VAL 248 N -3.85 1.92 -0.03 1.83 1.01 -1.26 -1.03 120.40 119.00 3iie s VAL 248 Ca 0.37 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3iie s VAL 248 Cb 0.08 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3iie s VAL 248 CO 0.13 0.52 -0.23 -0.69 0.00 0.00 0.00 175.10 174.83 3iie s VAL 249 N 0.75 1.84 0.18 2.92 1.01 -0.43 -4.36 120.40 122.31 3iie s VAL 249 Ca -0.09 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 3iie s VAL 249 Cb -0.16 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 3iie s VAL 249 CO 0.00 0.52 0.95 -0.76 0.00 0.00 0.00 175.10 175.81 3iie s LEU 250 N -0.39 4.58 -0.31 3.92 1.43 0.18 -1.88 118.68 126.21 3iie s LEU 250 Ca 0.05 1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 55.01 3iie s LEU 250 Cb -0.10 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.65 3iie s LEU 250 CO 0.01 0.05 0.24 -2.28 0.23 0.00 0.00 176.35 174.60 3iie s HIS 251 N -0.61 -0.02 0.37 0.29 5.65 0.15 -1.74 115.29 119.38 3iie s HIS 251 Ca 0.44 -0.71 0.07 0.00 0.25 0.00 0.00 55.06 55.11 3iie s HIS 251 Cb -0.25 -0.66 0.79 0.00 -1.18 0.00 0.00 32.58 31.29 3iie s HIS 251 CO 0.31 -0.89 1.96 -1.35 -0.65 0.00 0.00 174.74 174.12 3iie h PRO 252 N 7.93 0.68 0.00 2.88 0.11 -1.73 -2.74 132.00 139.13 3iie h PRO 252 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3iie h PRO 252 Cb 1.04 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3iie h PRO 252 CO 0.34 0.45 -0.18 1.96 -0.21 0.00 0.00 178.00 180.35 3iie h GLN 253 N 0.70 0.00 -5.37 1.05 7.50 -1.90 -3.45 115.11 113.64 3iie h GLN 253 Ca 0.32 0.00 -0.41 0.00 0.50 0.00 0.00 58.65 59.05 3iie h GLN 253 Cb 0.33 0.00 0.07 0.00 0.05 0.00 0.00 27.48 27.93 3iie h GLN 253 CO -0.11 0.00 -0.66 0.43 -1.50 0.00 0.00 178.83 177.00 3iie n SER 254 N -2.45 -5.87 -0.08 1.46 7.64 -1.03 -4.91 113.62 108.38 3iie n SER 254 Ca 0.04 -0.47 -0.12 0.00 1.01 0.00 0.00 58.87 59.34 3iie n SER 254 Cb 0.46 -4.68 -0.07 0.00 -1.01 0.00 0.00 64.21 58.90 3iie n SER 254 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iie h VAL 255 N -1.99 0.75 -3.50 0.44 2.07 -1.87 -3.45 116.25 108.70 3iie h VAL 255 Ca -0.55 -1.72 -0.52 0.00 0.82 0.00 0.00 66.70 64.73 3iie h VAL 255 Cb 1.36 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3iie h VAL 255 CO 0.58 0.25 0.51 -0.63 0.02 0.00 0.00 177.57 178.31 3iie s ILE 256 N -2.14 3.78 -0.18 4.57 -1.09 -1.26 -3.21 121.20 121.66 3iie s ILE 256 Ca -0.18 1.49 0.21 0.00 -2.23 0.00 0.00 60.65 59.95 3iie s ILE 256 Cb 0.02 -3.95 -0.08 0.00 -1.58 0.00 0.00 42.46 36.86 3iie s ILE 256 CO 0.42 0.24 0.90 1.41 -1.23 0.00 0.00 174.94 176.67 3iie n HIS 257 N 2.55 0.80 0.00 3.97 8.25 -0.01 -4.95 115.22 125.84 3iie n HIS 257 Ca 0.04 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 3iie n HIS 257 Cb 0.46 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.66 3iie n HIS 257 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3iie n SER 258 N -2.64 0.00 -3.98 0.41 7.64 -1.26 -4.35 113.62 109.45 3iie n SER 258 Ca -0.03 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.76 3iie n SER 258 Cb 0.61 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 3iie n SER 258 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3iie s MET 259 N -2.00 1.56 -0.09 1.43 1.00 -0.63 -2.50 119.30 118.07 3iie s MET 259 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 55.69 54.38 3iie s MET 259 Cb 0.00 0.47 0.05 0.00 0.00 0.00 0.00 34.83 35.34 3iie s MET 259 CO 0.00 -0.65 0.17 0.08 0.00 0.00 0.00 175.02 174.63 3iie s VAL 260 N -3.98 -0.21 0.08 -6.03 1.01 0.03 -0.06 120.40 111.24 3iie s VAL 260 Ca 0.23 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.32 3iie s VAL 260 Cb -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 36.38 36.00 3iie s VAL 260 CO 0.09 0.12 0.56 -0.13 0.00 0.00 0.00 175.10 175.75 3iie s ARG 261 N 1.97 4.16 0.35 2.72 0.52 -0.19 -1.30 118.95 127.18 3iie s ARG 261 Ca -0.01 0.70 0.08 0.00 -0.52 0.00 0.00 55.73 55.98 3iie s ARG 261 Cb -0.12 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 3iie s ARG 261 CO -0.06 0.62 0.20 0.71 0.02 0.00 0.00 175.30 176.79 3iie s TYR 262 N -1.16 2.75 0.24 -0.53 2.02 0.10 -1.71 117.35 119.06 3iie s TYR 262 Ca 0.30 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.56 3iie s TYR 262 Cb -0.19 -1.75 0.43 0.00 -0.40 0.00 0.00 41.96 40.05 3iie s TYR 262 CO 0.19 0.25 1.70 0.45 -1.57 0.00 0.00 175.55 176.57 3iie h HIS 263 N 1.42 0.35 0.00 2.71 3.86 -1.51 -2.42 115.15 119.55 3iie h HIS 263 Ca -0.44 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3iie h HIS 263 Cb 1.25 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.68 3iie h HIS 263 CO 0.59 -0.02 0.00 -0.40 0.86 0.00 0.00 177.93 178.96 3iie n ASP 264 N -5.09 0.00 0.00 2.45 5.68 -1.26 -4.84 116.55 113.48 3iie n ASP 264 Ca 0.13 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.16 3iie n ASP 264 Cb 0.42 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 3iie n ASP 264 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iie n GLY 265 N 0.18 2.54 3.77 6.12 0.00 -0.91 -5.09 105.19 111.79 3iie n GLY 265 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3iie n GLY 265 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iie s SER 266 N -1.60 6.51 -0.14 1.61 0.01 -1.25 -4.69 113.70 114.15 3iie s SER 266 Ca 0.00 2.47 0.01 0.00 1.31 0.00 0.00 55.95 59.73 3iie s SER 266 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.62 3iie s SER 266 CO 0.00 -0.69 -0.16 -0.63 0.41 0.00 0.00 173.24 172.17 3iie s ILE 267 N -1.33 1.67 -0.15 1.44 1.01 -1.26 0.02 121.20 122.60 3iie s ILE 267 Ca 0.56 -0.71 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 3iie s ILE 267 Cb -0.34 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 3iie s ILE 267 CO 0.43 0.47 0.21 -0.76 0.00 0.00 0.00 174.94 175.29 3iie s LEU 268 N 1.30 4.29 0.05 2.97 1.43 -0.42 -4.92 118.68 123.38 3iie s LEU 268 Ca 0.02 0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 3iie s LEU 268 Cb -0.13 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 3iie s LEU 268 CO -0.08 0.22 -0.12 0.00 0.23 0.00 0.00 176.35 176.60 3iie s ALA 269 N -0.06 0.94 -0.13 4.21 0.00 -1.26 -0.79 121.76 124.67 3iie s ALA 269 Ca 0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 3iie s ALA 269 Cb -0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3iie s ALA 269 CO 0.03 0.12 -0.09 -1.14 0.00 0.00 0.00 175.76 174.68 3iie s GLN 270 N -1.47 3.41 0.27 0.00 -0.44 -1.04 -4.99 119.66 115.40 3iie s GLN 270 Ca -0.04 -0.60 0.06 0.00 -2.50 0.00 0.00 55.36 52.28 3iie s GLN 270 Cb -0.09 -2.74 -0.06 0.00 -1.64 0.00 0.00 33.01 28.48 3iie s GLN 270 CO 0.01 0.29 -0.04 -1.64 0.50 0.00 0.00 175.29 174.41 3iie s MET 271 N 0.19 1.52 0.00 1.67 -1.94 -1.26 -0.83 119.30 118.65 3iie s MET 271 Ca -0.05 -1.78 0.00 0.00 -1.71 0.00 0.00 55.69 52.16 3iie s MET 271 Cb -0.14 -1.05 0.00 0.00 2.01 0.00 0.00 34.83 35.65 3iie s MET 271 CO 0.04 -0.00 0.00 0.41 -0.01 0.00 0.00 175.02 175.46 3iie n GLY 272 N -0.56 2.60 3.76 -0.03 0.00 -1.20 -4.98 105.19 104.78 3iie n GLY 272 Ca -0.05 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 3iie n GLY 272 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iie s THR 273 N -2.00 3.43 -0.06 2.61 -4.23 -1.26 -4.81 115.64 109.32 3iie s THR 273 Ca 0.00 1.39 -0.29 0.00 -1.18 0.00 0.00 61.69 61.61 3iie s THR 273 Cb 0.00 -3.89 -0.07 0.00 1.34 0.00 0.00 72.50 69.88 3iie s THR 273 CO 0.00 0.31 2.07 -2.84 -0.54 0.00 0.00 174.62 173.62 3iie s PRO 274 N -1.25 3.76 -0.27 3.99 0.02 -1.26 -4.95 135.00 135.04 3iie s PRO 274 Ca 0.46 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.77 3iie s PRO 274 Cb -0.33 -4.24 0.11 0.00 0.02 0.00 0.00 34.50 30.05 3iie s PRO 274 CO 0.41 -1.39 0.60 0.34 -0.33 0.00 0.00 177.00 176.63 3iie s ASP 275 N 5.91 -0.89 0.30 2.53 2.15 -1.26 -5.04 116.67 120.37 3iie s ASP 275 Ca 0.93 1.40 0.04 0.00 0.43 0.00 0.00 52.55 55.35 3iie s ASP 275 Cb -0.39 1.82 0.79 0.00 -0.30 0.00 0.00 42.92 44.83 3iie s ASP 275 CO 0.39 -0.22 1.61 -0.03 -0.17 0.00 0.00 175.17 176.75 3iie h MET 276 N 7.76 0.10 -0.09 4.34 1.85 -1.99 -1.71 114.93 125.19 3iie h MET 276 Ca -0.21 -0.01 -0.11 0.00 -0.61 0.00 0.00 59.70 58.76 3iie h MET 276 Cb 1.14 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.13 3iie h MET 276 CO 0.13 0.07 -0.44 -0.09 -0.40 0.00 0.00 176.91 176.18 3iie h ARG 277 N 0.10 0.22 0.26 0.39 2.43 -1.96 -3.31 114.38 112.51 3iie h ARG 277 Ca 0.60 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.66 3iie h ARG 277 Cb 1.27 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 3iie h ARG 277 CO -0.77 0.62 -0.24 1.15 -1.51 0.00 0.00 179.97 179.22 3iie h THR 278 N 0.18 0.48 0.00 0.20 2.02 -1.71 0.12 112.91 114.20 3iie h THR 278 Ca 0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 3iie h THR 278 Cb 0.86 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3iie h THR 278 CO 0.07 0.00 -0.22 1.55 0.37 0.00 0.00 175.52 177.28 3iie h PRO 279 N -0.53 0.00 0.02 6.66 0.13 -1.72 0.84 132.00 137.40 3iie h PRO 279 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3iie h PRO 279 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3iie h PRO 279 CO -0.04 0.22 -0.01 0.82 -0.23 0.00 0.00 178.00 178.76 3iie h ILE 280 N 0.00 1.16 -0.69 -3.56 2.04 -1.50 -1.11 117.51 113.85 3iie h ILE 280 Ca -0.00 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3iie h ILE 280 Cb 0.62 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3iie h ILE 280 CO 0.03 0.14 0.27 0.00 0.00 0.00 0.00 178.15 178.59 3iie h ALA 281 N 0.70 1.18 -0.44 1.87 0.00 -0.29 0.11 119.26 122.41 3iie h ALA 281 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3iie h ALA 281 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3iie h ALA 281 CO 0.00 0.59 0.23 1.25 0.00 0.00 0.00 179.25 181.33 3iie h HIS 282 N 0.99 0.43 -0.17 0.00 -0.00 -0.71 -1.26 115.15 114.44 3iie h HIS 282 Ca 0.23 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 3iie h HIS 282 Cb 0.20 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 3iie h HIS 282 CO 0.02 0.23 -0.02 0.00 -0.00 0.00 0.00 177.93 178.16 3iie h ALA 283 N 1.22 0.23 -0.27 5.26 0.00 -0.12 -0.89 119.26 124.69 3iie h ALA 283 Ca 0.18 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3iie h ALA 283 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iie h ALA 283 CO -0.11 -0.04 -0.28 0.52 0.00 0.00 0.00 179.25 179.34 3iie h MET 284 N 0.04 0.53 0.00 0.00 2.86 -0.71 -3.11 114.93 114.53 3iie h MET 284 Ca 0.05 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.36 3iie h MET 284 Cb 0.42 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3iie h MET 284 CO 0.01 0.75 -1.02 0.00 1.06 0.00 0.00 176.91 177.72 3iie h ALA 285 N 1.24 0.65 -0.80 6.32 0.00 -1.16 -3.48 119.26 122.03 3iie h ALA 285 Ca 0.06 -0.55 -0.56 0.00 0.00 0.00 0.00 54.91 53.87 3iie h ALA 285 Cb 0.72 0.12 0.08 0.00 0.00 0.00 0.00 17.79 18.71 3iie h ALA 285 CO 0.06 0.63 -0.35 0.98 0.00 0.00 0.00 179.25 180.57 3iie n TYR 286 N -2.96 -0.24 1.61 0.00 9.36 -0.35 -2.08 117.16 122.51 3iie n TYR 286 Ca -0.04 0.79 0.10 0.00 3.32 0.00 0.00 57.90 62.08 3iie n TYR 286 Cb 0.75 -1.59 0.48 0.00 -0.63 0.00 0.00 39.34 38.35 3iie n TYR 286 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3iie n PRO 287 N 0.87 1.38 -1.75 2.98 -0.04 -1.26 -5.06 135.00 132.12 3iie n PRO 287 Ca 0.15 -0.56 -0.30 0.00 -0.04 0.00 0.00 63.50 62.75 3iie n PRO 287 Cb 0.18 -1.36 0.18 0.00 -0.04 0.00 0.00 33.50 32.46 3iie n PRO 287 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3iie s MET 288 N -1.90 0.56 0.07 0.54 -1.94 -0.88 -5.11 119.30 110.63 3iie s MET 288 Ca 0.31 -0.22 0.05 0.00 -1.71 0.00 0.00 55.69 54.13 3iie s MET 288 Cb 0.16 -1.82 -0.03 0.00 2.01 0.00 0.00 34.83 35.15 3iie s MET 288 CO 0.25 -2.50 -0.15 1.03 -0.01 0.00 0.00 175.02 173.65 3iie s ARG 289 N -5.71 0.87 0.37 2.03 1.81 -1.26 -4.69 118.95 112.37 3iie s ARG 289 Ca 0.71 -0.92 0.04 0.00 -1.72 0.00 0.00 55.73 53.84 3iie s ARG 289 Cb -0.07 -0.89 -0.06 0.00 -0.45 0.00 0.00 34.95 33.48 3iie s ARG 289 CO 0.53 0.20 0.05 0.14 -0.68 0.00 0.00 175.30 175.55 3iie s VAL 290 N -1.16 1.26 0.53 3.52 -7.23 -1.26 -5.10 120.40 110.95 3iie s VAL 290 Ca -0.01 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 3iie s VAL 290 Cb -0.09 -2.71 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 3iie s VAL 290 CO 0.02 0.00 1.04 -0.94 -0.31 0.00 0.00 175.10 174.91 3iie s SER 291 N -3.59 6.14 0.74 4.85 1.04 -1.26 -4.99 113.70 116.64 3iie s SER 291 Ca 0.31 1.86 -0.06 0.00 0.48 0.00 0.00 55.95 58.54 3iie s SER 291 Cb 0.07 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.75 3iie s SER 291 CO 0.15 -0.92 1.05 -0.55 0.98 0.00 0.00 173.24 173.94 3iie s SER 292 N -2.38 4.43 -0.12 7.02 0.15 -1.26 -5.04 113.70 116.50 3iie s SER 292 Ca 0.65 0.19 -0.19 0.00 0.70 0.00 0.00 55.95 57.30 3iie s SER 292 Cb -0.16 -0.68 -0.26 0.00 -1.71 0.00 0.00 66.02 63.21 3iie s SER 292 CO 0.27 -1.83 0.55 1.23 1.20 0.00 0.00 173.24 174.66 3iie h GLY 293 N -0.72 0.20 -1.83 9.45 0.00 -2.00 -3.49 103.07 104.68 3iie h GLY 293 Ca -0.42 -0.52 -0.50 0.00 0.00 0.00 0.00 47.33 45.89 3iie h GLY 293 CO 0.51 0.45 0.39 0.14 0.00 0.00 0.00 176.54 178.03 3iie s VAL 294 N -2.42 3.26 0.39 4.60 1.01 -1.26 -4.98 120.40 120.99 3iie s VAL 294 Ca -0.21 0.65 -0.27 0.00 0.00 0.00 0.00 61.98 62.16 3iie s VAL 294 Cb 0.03 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 3iie s VAL 294 CO 0.73 -0.30 1.31 0.00 0.00 0.00 0.00 175.10 176.84 3iie s ALA 295 N -2.15 3.32 0.49 5.51 0.00 -1.26 -4.95 121.76 122.72 3iie s ALA 295 Ca 0.69 1.25 -0.22 0.00 0.00 0.00 0.00 51.96 53.67 3iie s ALA 295 Cb -0.21 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 3iie s ALA 295 CO 0.36 -0.78 1.21 -2.14 0.00 0.00 0.00 175.76 174.41 3iie s PRO 296 N -2.14 3.54 0.21 0.00 0.02 -1.26 -4.85 135.00 130.52 3iie s PRO 296 Ca 0.55 1.89 -0.32 0.00 0.02 0.00 0.00 61.00 63.13 3iie s PRO 296 Cb -0.39 -2.33 -0.13 0.00 0.02 0.00 0.00 34.50 31.68 3iie s PRO 296 CO 0.50 -0.76 1.59 -0.11 -0.33 0.00 0.00 177.00 177.89 3iie n LEU 297 N -0.71 3.50 -4.32 -5.54 7.94 -1.26 -4.95 117.00 111.66 3iie n LEU 297 Ca 0.09 1.10 -0.35 0.00 -1.11 0.00 0.00 56.01 55.73 3iie n LEU 297 Cb 0.47 -1.49 -0.14 0.00 0.53 0.00 0.00 43.42 42.80 3iie n LEU 297 CO 0.49 -0.14 -0.38 -0.62 -1.11 0.00 0.00 177.39 175.62 3iie s ASP 298 N 0.81 4.32 0.33 1.96 2.15 -1.26 -4.99 116.67 119.99 3iie s ASP 298 Ca 0.74 -0.38 0.26 0.00 0.43 0.00 0.00 52.55 53.61 3iie s ASP 298 Cb -0.60 -1.74 0.88 0.00 -0.30 0.00 0.00 42.92 41.15 3iie s ASP 298 CO 0.40 -0.01 1.76 -0.26 -0.17 0.00 0.00 175.17 176.90 3iie h PHE 299 N 8.00 0.00 -0.01 -5.34 0.04 -1.95 -1.47 116.94 116.21 3iie h PHE 299 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 3iie h PHE 299 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 3iie h PHE 299 CO 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 178.29 3iie n LYS 301 N -0.60 0.49 -2.87 0.00 5.02 -0.58 -5.00 118.16 114.61 3iie n LYS 301 Ca 0.21 -0.19 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 3iie n LYS 301 Cb 0.18 -0.62 -0.07 0.00 -0.02 0.00 0.00 35.03 34.49 3iie n LYS 301 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3iie s VAL 302 N -0.12 4.47 1.05 -0.18 -7.23 -1.06 -5.02 120.40 112.30 3iie s VAL 302 Ca 0.00 1.34 -0.15 0.00 -1.81 0.00 0.00 61.98 61.36 3iie s VAL 302 Cb 0.00 -3.61 0.21 0.00 0.56 0.00 0.00 36.38 33.54 3iie s VAL 302 CO 0.00 -0.31 1.13 -0.83 -0.31 0.00 0.00 175.10 174.78 3iie s GLY 303 N -2.26 1.59 0.54 2.32 0.00 -1.26 -4.98 107.32 103.27 3iie s GLY 303 Ca 0.60 -0.68 -0.20 0.00 0.00 0.00 0.00 44.72 44.43 3iie s GLY 303 CO 0.15 0.02 0.87 0.00 0.00 0.00 0.00 173.10 174.14 3iie n ALA 304 N -4.24 -0.15 -2.78 3.20 0.00 -1.26 -4.98 120.51 110.29 3iie n ALA 304 Ca 0.09 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 3iie n ALA 304 Cb 0.59 -2.03 -0.09 0.00 0.00 0.00 0.00 19.45 17.92 3iie n ALA 304 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iie s LEU 305 N -0.90 4.05 0.27 0.00 1.43 -1.26 -4.91 118.68 117.36 3iie s LEU 305 Ca 0.70 0.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.04 3iie s LEU 305 Cb -0.47 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 3iie s LEU 305 CO 0.52 0.21 0.02 0.42 0.23 0.00 0.00 176.35 177.75 3iie s THR 306 N 0.17 1.11 -0.07 5.49 -4.23 -1.26 -5.12 115.64 111.72 3iie s THR 306 Ca 0.07 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 3iie s THR 306 Cb -0.12 -2.53 0.02 0.00 1.34 0.00 0.00 72.50 71.21 3iie s THR 306 CO -0.00 -0.19 0.21 -0.36 -0.54 0.00 0.00 174.62 173.74 3iie s PHE 307 N -3.36 -0.21 0.31 3.99 0.08 -1.26 -4.03 117.98 113.49 3iie s PHE 307 Ca 0.32 0.51 0.05 0.00 0.12 0.00 0.00 56.93 57.93 3iie s PHE 307 Cb 0.07 0.07 -0.03 0.00 -0.57 0.00 0.00 43.02 42.55 3iie s PHE 307 CO 0.12 -0.13 0.23 0.95 -0.10 0.00 0.00 175.22 176.29 3iie s THR 308 N -0.03 0.07 -0.13 0.64 -4.23 -0.71 -4.98 115.64 106.27 3iie s THR 308 Ca -0.01 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 3iie s THR 308 Cb -0.02 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 3iie s THR 308 CO 0.00 0.00 0.21 0.28 -0.54 0.00 0.00 174.62 174.57 3iie s THR 309 N -3.57 5.38 0.16 3.99 -1.32 -1.26 0.52 115.64 119.53 3iie s THR 309 Ca 0.39 0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 60.93 3iie s THR 309 Cb 0.03 -3.51 -0.08 0.00 -1.51 0.00 0.00 72.50 67.44 3iie s THR 309 CO 0.23 0.52 1.25 -2.16 -2.21 0.00 0.00 174.62 172.25 3iie s PRO 310 N -0.37 4.43 -0.19 7.08 0.04 -1.26 -4.85 135.00 139.88 3iie s PRO 310 Ca 0.15 1.93 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 3iie s PRO 310 Cb -0.13 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 3iie s PRO 310 CO 0.04 -0.20 0.68 0.34 0.04 0.00 0.00 177.00 177.90 3iie s ASP 311 N 0.44 6.76 0.47 6.66 2.15 -1.26 -4.97 116.67 126.91 3iie s ASP 311 Ca 0.56 0.92 0.15 0.00 0.43 0.00 0.00 52.55 54.61 3iie s ASP 311 Cb -0.34 -2.38 1.09 0.00 -0.30 0.00 0.00 42.92 40.99 3iie s ASP 311 CO 0.35 -0.31 2.05 1.88 -0.17 0.00 0.00 175.17 178.97 3iie h TYR 312 N 7.45 0.02 -0.49 -5.34 0.05 -1.95 0.79 116.97 117.50 3iie h TYR 312 Ca -0.31 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.57 3iie h TYR 312 Cb 1.14 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.85 3iie h TYR 312 CO 0.71 0.13 0.34 1.96 -1.05 0.00 0.00 178.16 180.25 3iie h GLN 313 N 0.02 0.23 0.05 4.88 4.20 -1.98 -1.32 115.11 121.20 3iie h GLN 313 Ca 0.00 -0.01 -0.35 0.00 0.06 0.00 0.00 58.65 58.35 3iie h GLN 313 Cb 0.20 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3iie h GLN 313 CO 0.01 0.15 -2.05 -2.13 -0.67 0.00 0.00 178.83 174.14 3iie n ARG 314 N -4.45 0.69 -3.35 1.46 0.63 -0.03 -4.56 116.66 107.04 3iie n ARG 314 Ca 0.08 0.21 -0.27 0.00 -0.92 0.00 0.00 57.85 56.96 3iie n ARG 314 Cb 0.39 -1.67 -0.07 0.00 0.45 0.00 0.00 32.46 31.55 3iie n ARG 314 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3iie n TYR 315 N -3.21 3.26 0.22 -0.14 4.01 0.07 -4.95 117.16 116.41 3iie n TYR 315 Ca -0.30 -4.08 0.07 0.00 -0.16 0.00 0.00 57.90 53.43 3iie n TYR 315 Cb 1.05 -0.53 0.51 0.00 -0.31 0.00 0.00 39.34 40.07 3iie n TYR 315 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3iie h PRO 316 N 4.03 0.00 -0.55 -0.72 0.13 -1.48 -2.00 132.00 131.41 3iie h PRO 316 Ca 0.18 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.38 3iie h PRO 316 Cb 0.67 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.77 3iie h PRO 316 CO 0.80 0.25 0.37 0.00 -0.23 0.00 0.00 178.00 179.19 3iie h LEU 318 N 0.46 0.16 -0.80 0.00 5.85 -1.56 0.51 115.31 119.92 3iie h LEU 318 Ca 0.25 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.92 3iie h LEU 318 Cb 0.37 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3iie h LEU 318 CO -0.07 0.19 0.51 0.50 -0.34 0.00 0.00 178.44 179.23 3iie h LYS 319 N 0.12 0.99 -0.78 1.25 1.63 -1.49 -0.95 116.57 117.34 3iie h LYS 319 Ca 0.05 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 3iie h LYS 319 Cb 0.06 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.43 3iie h LYS 319 CO -0.01 0.65 0.36 1.25 -3.45 0.00 0.00 179.45 178.26 3iie h LEU 320 N 1.02 1.02 -0.56 5.20 5.85 -0.73 0.10 115.31 127.21 3iie h LEU 320 Ca 0.31 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 3iie h LEU 320 Cb -0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3iie h LEU 320 CO -0.10 0.87 -0.61 0.00 -0.34 0.00 0.00 178.44 178.26 3iie h ALA 321 N 1.29 0.75 -0.18 1.25 0.00 0.08 0.35 119.26 122.79 3iie h ALA 321 Ca 0.27 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3iie h ALA 321 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3iie h ALA 321 CO -0.03 0.72 0.00 0.82 0.00 0.00 0.00 179.25 180.76 3iie h ILE 322 N 0.27 1.25 -0.49 0.00 2.04 -0.55 0.51 117.51 120.54 3iie h ILE 322 Ca -0.01 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.04 3iie h ILE 322 Cb 1.14 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 3iie h ILE 322 CO 0.10 0.26 0.25 0.44 0.00 0.00 0.00 178.15 179.20 3iie h ASP 323 N 0.07 0.36 -0.77 1.72 3.32 -0.64 -1.25 116.42 119.23 3iie h ASP 323 Ca 0.05 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3iie h ASP 323 Cb 0.38 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3iie h ASP 323 CO 0.01 0.25 0.43 0.00 -1.72 0.00 0.00 179.24 178.21 3iie h ALA 324 N 1.26 0.98 -0.28 3.45 0.00 -0.16 0.84 119.26 125.36 3iie h ALA 324 Ca 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3iie h ALA 324 Cb 0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3iie h ALA 324 CO -0.15 0.49 -0.04 0.00 0.00 0.00 0.00 179.25 179.54 3iie h ASN 326 N 0.03 0.00 1.44 0.00 2.35 -0.93 -2.50 115.58 115.96 3iie h ASN 326 Ca 0.13 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3iie h ASN 326 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3iie h ASN 326 CO -0.26 0.21 -0.37 0.00 -1.65 0.00 0.00 177.43 175.36 3iie h ALA 327 N 1.79 0.80 0.00 -0.83 0.00 0.23 -3.50 119.26 117.74 3iie h ALA 327 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3iie h ALA 327 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3iie h ALA 327 CO 0.03 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3iie n GLY 328 N 0.96 2.30 0.21 0.00 0.00 -0.66 -4.78 105.19 103.23 3iie n GLY 328 Ca 0.02 -2.02 -0.07 0.00 0.00 0.00 0.00 46.02 43.95 3iie n GLY 328 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3iie h GLN 329 N 0.00 0.48 -0.61 1.61 4.20 -1.85 -2.36 115.11 116.58 3iie h GLN 329 Ca 0.00 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.46 3iie h GLN 329 Cb 0.00 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3iie h GLN 329 CO 0.00 0.84 0.40 0.00 -0.67 0.00 0.00 178.83 179.40 3iie h ALA 330 N 1.12 1.61 -0.39 3.87 0.00 -1.87 0.99 119.26 124.59 3iie h ALA 330 Ca 0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3iie h ALA 330 Cb 0.95 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3iie h ALA 330 CO 0.08 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.49 3iie h ALA 331 N 1.63 0.55 0.04 0.00 0.00 -1.72 -2.11 119.26 117.66 3iie h ALA 331 Ca 0.23 -0.37 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 3iie h ALA 331 Cb -0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3iie h ALA 331 CO -0.06 0.51 -1.02 1.79 0.00 0.00 0.00 179.25 180.47 3iie h THR 332 N 0.63 1.46 -0.87 0.00 1.35 -1.17 0.17 112.91 114.48 3iie h THR 332 Ca 0.09 -2.69 0.05 0.00 -0.55 0.00 0.00 66.41 63.30 3iie h THR 332 Cb 0.75 2.60 -0.06 0.00 -1.73 0.00 0.00 68.15 69.71 3iie h THR 332 CO 0.06 0.79 0.55 0.74 -0.25 0.00 0.00 175.52 177.41 3iie h THR 333 N 0.15 1.10 -0.14 6.82 2.02 -0.79 -0.56 112.91 121.52 3iie h THR 333 Ca -0.09 -0.36 -0.18 0.00 0.77 0.00 0.00 66.41 66.55 3iie h THR 333 Cb 1.68 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3iie h THR 333 CO 0.17 0.19 -0.62 0.00 0.37 0.00 0.00 175.52 175.63 3iie h ALA 334 N 1.38 0.26 -0.75 6.16 0.00 -1.08 -1.80 119.26 123.43 3iie h ALA 334 Ca 0.36 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3iie h ALA 334 Cb 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3iie h ALA 334 CO -0.14 0.53 0.50 1.25 0.00 0.00 0.00 179.25 181.39 3iie h LEU 335 N 0.34 0.86 0.20 0.00 5.85 -0.75 0.30 115.31 122.12 3iie h LEU 335 Ca -0.04 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3iie h LEU 335 Cb 1.26 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3iie h LEU 335 CO 0.13 0.63 -0.10 -1.13 -0.34 0.00 0.00 178.44 177.63 3iie h ASN 336 N 1.02 -0.23 -0.67 1.25 -0.00 -0.84 0.69 115.58 116.80 3iie h ASN 336 Ca 0.28 -0.06 0.01 0.00 -0.00 0.00 0.00 56.30 56.52 3iie h ASN 336 Cb -0.12 0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 38.23 3iie h ASN 336 CO -0.06 -0.08 0.45 0.00 -0.00 0.00 0.00 177.43 177.73 3iie h ALA 337 N 0.42 0.86 -0.50 1.57 0.00 -1.18 -2.30 119.26 118.12 3iie h ALA 337 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3iie h ALA 337 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3iie h ALA 337 CO 0.05 0.27 0.28 0.00 0.00 0.00 0.00 179.25 179.85 3iie h ALA 338 N 1.25 0.64 -0.65 0.00 0.00 -0.29 -2.71 119.26 117.50 3iie h ALA 338 Ca 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3iie h ALA 338 Cb -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3iie h ALA 338 CO -0.06 0.16 0.38 -0.97 0.00 0.00 0.00 179.25 178.76 3iie h ASN 339 N 0.67 0.79 -1.00 0.00 -1.24 -0.64 -0.56 115.58 113.59 3iie h ASN 339 Ca 0.18 -0.07 0.13 0.00 0.71 0.00 0.00 56.30 57.24 3iie h ASN 339 Cb 0.04 -0.20 -0.09 0.00 0.73 0.00 0.00 38.32 38.81 3iie h ASN 339 CO -0.03 0.63 0.63 -0.33 -1.29 0.00 0.00 177.43 177.04 3iie h GLU 340 N 0.89 0.94 -0.10 6.67 5.08 -1.12 -0.35 114.58 126.59 3iie h GLU 340 Ca 0.23 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3iie h GLU 340 Cb -0.00 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 3iie h GLU 340 CO -0.04 0.63 -0.11 0.82 -1.00 0.00 0.00 179.01 179.30 3iie h ILE 341 N 0.97 1.37 -0.70 3.13 1.08 -1.05 -2.59 117.51 119.73 3iie h ILE 341 Ca 0.50 -1.30 0.12 0.00 -0.39 0.00 0.00 64.86 63.79 3iie h ILE 341 Cb 0.53 2.01 -0.08 0.00 -3.07 0.00 0.00 36.82 36.20 3iie h ILE 341 CO -0.27 0.37 0.28 0.28 -0.69 0.00 0.00 178.15 178.12 3iie h SER 342 N -0.17 0.29 0.00 1.72 0.02 -0.77 0.00 113.55 114.65 3iie h SER 342 Ca 0.01 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3iie h SER 342 Cb 0.64 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3iie h SER 342 CO 0.03 0.14 -0.00 0.58 -1.14 0.00 0.00 176.83 176.44 3iie h VAL 343 N 0.46 1.28 -0.68 2.27 2.07 -0.97 -0.76 116.25 119.92 3iie h VAL 343 Ca 0.37 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3iie h VAL 343 Cb 0.49 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3iie h VAL 343 CO -0.35 0.21 0.40 0.24 0.02 0.00 0.00 177.57 178.10 3iie h MET 344 N -0.35 0.74 -0.90 1.57 2.07 -1.04 0.98 114.93 118.00 3iie h MET 344 Ca -0.00 -0.04 0.05 0.00 -2.07 0.00 0.00 59.70 57.63 3iie h MET 344 Cb 0.35 -0.17 -0.06 0.00 -1.87 0.00 0.00 31.60 29.86 3iie h MET 344 CO 0.00 0.49 0.58 0.00 1.07 0.00 0.00 176.91 179.05 3iie h ALA 345 N 1.32 1.21 -0.06 6.32 0.00 -0.82 0.26 119.26 127.49 3iie h ALA 345 Ca 0.29 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3iie h ALA 345 Cb 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3iie h ALA 345 CO -0.14 0.39 0.03 0.35 0.00 0.00 0.00 179.25 179.88 3iie h PHE 346 N 1.09 0.09 0.00 0.00 3.57 0.03 0.95 116.94 122.67 3iie h PHE 346 Ca 0.37 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3iie h PHE 346 Cb 0.07 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3iie h PHE 346 CO -0.02 0.13 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.07 3iie h LEU 347 N 0.02 0.00 -2.98 0.59 3.38 0.29 -1.04 115.31 115.56 3iie h LEU 347 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3iie h LEU 347 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3iie h LEU 347 CO -0.00 0.05 0.08 0.47 0.09 0.00 0.00 178.44 179.13 3iie n ASP 348 N -3.95 4.34 -1.85 -0.43 8.00 0.81 -4.92 116.55 118.54 3iie n ASP 348 Ca -0.03 -2.77 -0.17 0.00 0.71 0.00 0.00 54.79 52.54 3iie n ASP 348 Cb 0.14 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.54 3iie n ASP 348 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3iie n SER 349 N 0.27 -4.67 -0.01 -2.24 7.64 -0.39 -4.82 113.62 109.40 3iie n SER 349 Ca 0.24 0.29 -0.09 0.00 1.01 0.00 0.00 58.87 60.32 3iie n SER 349 Cb 1.02 -4.09 -0.14 0.00 -1.01 0.00 0.00 64.21 59.99 3iie n SER 349 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3iie h LYS 350 N 0.00 0.01 -5.06 1.43 1.57 -0.99 -3.47 116.57 110.05 3iie h LYS 350 Ca -0.37 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.04 3iie h LYS 350 Cb 1.18 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.35 3iie h LYS 350 CO 0.50 0.60 -0.68 0.96 -0.57 0.00 0.00 179.45 180.26 3iie s ILE 351 N -2.62 1.06 0.64 1.86 -4.36 -1.19 -4.99 121.20 111.60 3iie s ILE 351 Ca -0.04 -2.04 -0.11 0.00 -0.26 0.00 0.00 60.65 58.20 3iie s ILE 351 Cb 0.08 -2.15 -0.03 0.00 1.25 0.00 0.00 42.46 41.62 3iie s ILE 351 CO 0.82 -0.49 1.05 -0.13 0.24 0.00 0.00 174.94 176.43 3iie s ARG 352 N -3.82 3.43 0.25 0.37 0.52 -1.26 -4.56 118.95 113.88 3iie s ARG 352 Ca 0.24 0.69 -0.03 0.00 -0.52 0.00 0.00 55.73 56.11 3iie s ARG 352 Cb 0.05 -2.07 0.43 0.00 0.52 0.00 0.00 34.95 33.88 3iie s ARG 352 CO 0.05 -0.68 1.82 0.35 0.02 0.00 0.00 175.30 176.86 3iie h PHE 353 N -0.40 0.93 0.00 -0.53 3.57 -1.80 0.15 116.94 118.86 3iie h PHE 353 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3iie h PHE 353 Cb 1.20 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3iie h PHE 353 CO 0.63 0.38 0.00 0.25 -2.23 0.00 0.00 178.31 177.33 3iie n THR 354 N -4.71 0.74 0.31 4.41 -2.24 -1.26 -2.80 114.28 108.73 3iie n THR 354 Ca 0.15 0.04 0.15 0.00 -2.27 0.00 0.00 64.05 62.12 3iie n THR 354 Cb 0.29 -0.96 0.54 0.00 -2.10 0.00 0.00 70.33 68.11 3iie n THR 354 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3iie h ASP 355 N 0.00 0.00 -0.06 3.42 3.32 -1.07 -3.35 116.42 118.68 3iie h ASP 355 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3iie h ASP 355 Cb 0.51 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3iie h ASP 355 CO 0.00 0.00 -0.04 0.40 -1.72 0.00 0.00 179.24 177.88 3iie h ILE 356 N 0.00 0.88 -0.65 0.35 2.04 -1.57 -0.52 117.51 118.04 3iie h ILE 356 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3iie h ILE 356 Cb 0.59 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3iie h ILE 356 CO 0.00 0.00 0.17 -0.08 0.00 0.00 0.00 178.15 178.24 3iie h GLU 357 N -0.04 1.02 0.42 2.37 4.57 -1.81 0.24 114.58 121.35 3iie h GLU 357 Ca 0.04 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 3iie h GLU 357 Cb 0.10 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3iie h GLU 357 CO -0.09 0.89 -0.20 0.28 -1.18 0.00 0.00 179.01 178.71 3iie h VAL 358 N 0.97 0.57 -0.46 0.32 2.07 -1.64 0.50 116.25 118.59 3iie h VAL 358 Ca 0.21 -0.30 0.09 0.00 0.82 0.00 0.00 66.70 67.52 3iie h VAL 358 Cb 0.33 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 3iie h VAL 358 CO -0.00 0.05 -0.12 0.40 0.02 0.00 0.00 177.57 177.92 3iie h ILE 359 N -0.75 0.53 -0.85 4.57 2.04 -1.06 -0.10 117.51 121.91 3iie h ILE 359 Ca -0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3iie h ILE 359 Cb 0.52 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3iie h ILE 359 CO 0.10 0.00 0.47 0.78 0.00 0.00 0.00 178.15 179.49 3iie h ASN 360 N -0.01 1.06 -0.36 1.72 2.35 -0.49 -2.17 115.58 117.68 3iie h ASN 360 Ca 0.22 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 3iie h ASN 360 Cb 0.34 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3iie h ASN 360 CO -0.47 0.85 -0.22 -0.09 -1.65 0.00 0.00 177.43 175.84 3iie h ARG 361 N 1.18 0.78 -0.18 0.81 2.43 0.41 -0.98 114.38 118.83 3iie h ARG 361 Ca 0.30 -0.36 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3iie h ARG 361 Cb 0.03 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 3iie h ARG 361 CO -0.05 0.99 -0.22 1.15 -1.51 0.00 0.00 179.97 180.33 3iie h THR 362 N 0.56 0.45 0.08 0.20 2.02 -0.68 0.35 112.91 115.89 3iie h THR 362 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 3iie h THR 362 Cb 0.78 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3iie h THR 362 CO 0.06 0.00 -0.06 0.58 0.37 0.00 0.00 175.52 176.47 3iie h VAL 363 N -0.25 0.86 -0.41 3.16 2.07 -1.25 0.37 116.25 120.81 3iie h VAL 363 Ca 0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.65 3iie h VAL 363 Cb 0.43 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3iie h VAL 363 CO -0.33 0.00 0.26 0.58 0.02 0.00 0.00 177.57 178.10 3iie h VAL 364 N -0.15 1.08 0.00 2.57 2.07 -0.71 -2.31 116.25 118.81 3iie h VAL 364 Ca -0.00 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3iie h VAL 364 Cb 0.13 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3iie h VAL 364 CO -0.00 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 177.06 3iie n GLU 365 N -4.83 0.17 -0.02 1.57 1.02 0.12 -2.61 120.64 116.07 3iie n GLU 365 Ca 0.01 0.18 0.10 0.00 -0.02 0.00 0.00 57.16 57.43 3iie n GLU 365 Cb 0.04 -1.72 0.55 0.00 -0.02 0.00 0.00 31.44 30.29 3iie n GLU 365 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iie n GLY 366 N 1.15 -0.71 3.77 0.62 0.00 0.11 -4.93 105.19 105.20 3iie n GLY 366 Ca 0.05 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3iie n GLY 366 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iie s LEU 367 N -1.63 4.52 -0.26 0.99 1.98 -1.07 -4.94 118.68 118.27 3iie s LEU 367 Ca 0.31 1.86 0.14 0.00 -2.89 0.00 0.00 54.13 53.55 3iie s LEU 367 Cb 0.15 -3.73 0.37 0.00 0.66 0.00 0.00 46.19 43.65 3iie s LEU 367 CO 0.24 0.08 1.37 -0.11 -1.89 0.00 0.00 176.35 176.04 3iie n LEU 368 N 1.13 -0.69 -4.95 -0.68 7.94 -1.26 -5.12 117.00 113.37 3iie n LEU 368 Ca -0.01 -2.96 -0.24 0.00 -1.11 0.00 0.00 56.01 51.69 3iie n LEU 368 Cb 0.48 0.15 -0.02 0.00 0.53 0.00 0.00 43.42 44.56 3iie n LEU 368 CO 0.47 1.50 0.01 -0.76 -1.11 0.00 0.00 177.39 177.50 3iie s LEU 369 N -3.31 4.24 0.73 -1.96 1.02 -1.26 -5.10 118.68 113.04 3iie s LEU 369 Ca 0.12 0.24 -0.15 0.00 0.02 0.00 0.00 54.13 54.36 3iie s LEU 369 Cb 0.36 -3.03 0.04 0.00 0.02 0.00 0.00 46.19 43.58 3iie s LEU 369 CO -0.10 -0.09 1.24 -0.44 0.02 0.00 0.00 176.35 176.98 3iie s SER 370 N -3.66 4.09 0.01 2.29 0.01 -1.26 -4.91 113.70 110.26 3iie s SER 370 Ca 0.36 2.46 -0.36 0.00 1.31 0.00 0.00 55.95 59.72 3iie s SER 370 Cb -0.10 -2.60 -0.15 0.00 0.21 0.00 0.00 66.02 63.38 3iie s SER 370 CO 0.30 -2.34 1.58 -0.62 0.41 0.00 0.00 173.24 172.57 3iie n GLU 371 N -2.67 1.62 -2.35 12.44 -0.58 -1.26 -4.68 120.64 123.15 3iie n GLU 371 Ca 0.14 0.59 -0.34 0.00 -0.42 0.00 0.00 57.16 57.13 3iie n GLU 371 Cb 0.50 -2.31 -0.01 0.00 -0.57 0.00 0.00 31.44 29.04 3iie n GLU 371 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3iie s PRO 372 N 1.82 3.54 -0.00 3.49 0.04 -1.26 -4.94 135.00 137.69 3iie s PRO 372 Ca 0.87 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3iie s PRO 372 Cb -0.85 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3iie s PRO 372 CO 0.49 -0.67 0.59 0.25 0.04 0.00 0.00 177.00 177.70 3iie n THR 373 N -1.26 0.16 -4.00 1.26 -2.24 -1.26 -4.94 114.28 102.00 3iie n THR 373 Ca 0.10 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 3iie n THR 373 Cb 0.52 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 3iie n THR 373 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3iie s SER 374 N -0.19 0.30 0.19 3.42 1.04 -1.26 -4.97 113.70 112.22 3iie s SER 374 Ca 0.00 -1.17 -0.12 0.00 0.48 0.00 0.00 55.95 55.14 3iie s SER 374 Cb 0.00 0.67 0.17 0.00 0.10 0.00 0.00 66.02 66.96 3iie s SER 374 CO 0.00 -1.30 1.78 0.58 0.98 0.00 0.00 173.24 175.28 3iie h VAL 375 N 2.15 0.94 -0.43 5.02 2.07 -1.99 -2.40 116.25 121.60 3iie h VAL 375 Ca -0.28 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.13 3iie h VAL 375 Cb 1.25 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 3iie h VAL 375 CO 0.37 0.09 0.08 -0.33 0.02 0.00 0.00 177.57 177.81 3iie h GLU 376 N 0.52 0.20 -0.14 1.57 3.07 -1.99 0.31 114.58 118.12 3iie h GLU 376 Ca 0.24 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 59.00 3iie h GLU 376 Cb 0.17 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3iie h GLU 376 CO -0.18 0.13 -0.32 0.93 -1.40 0.00 0.00 179.01 178.17 3iie h GLU 377 N 0.21 0.27 -0.41 2.33 5.08 -1.93 -2.41 114.58 117.72 3iie h GLU 377 Ca 0.21 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3iie h GLU 377 Cb 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3iie h GLU 377 CO -0.28 0.57 0.16 0.28 -1.00 0.00 0.00 179.01 178.73 3iie h VAL 378 N 0.23 1.20 -0.96 3.13 2.07 -0.84 -2.57 116.25 118.52 3iie h VAL 378 Ca 0.03 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3iie h VAL 378 Cb 0.69 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3iie h VAL 378 CO 0.05 0.22 0.61 -0.07 0.02 0.00 0.00 177.57 178.41 3iie h LEU 379 N 0.52 0.98 0.36 2.57 3.38 -0.67 0.31 115.31 122.76 3iie h LEU 379 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3iie h LEU 379 Cb 0.19 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iie h LEU 379 CO -0.01 0.62 -0.17 0.58 0.09 0.00 0.00 178.44 179.55 3iie h VAL 380 N 1.11 0.65 -0.31 1.22 2.07 -1.25 -0.50 116.25 119.25 3iie h VAL 380 Ca 0.41 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 3iie h VAL 380 Cb 0.17 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3iie h VAL 380 CO -0.17 0.02 0.17 0.40 0.02 0.00 0.00 177.57 178.01 3iie h ILE 381 N -0.53 1.12 -0.37 4.57 2.04 -1.02 -1.04 117.51 122.29 3iie h ILE 381 Ca -0.05 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3iie h ILE 381 Cb 0.40 0.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 3iie h ILE 381 CO 0.08 0.12 -0.06 -0.78 0.00 0.00 0.00 178.15 177.51 3iie h ASP 382 N 0.38 -0.28 -0.64 1.72 3.58 -0.25 -0.97 116.42 119.96 3iie h ASP 382 Ca 0.11 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.60 3iie h ASP 382 Cb 0.04 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 3iie h ASP 382 CO -0.02 -0.10 0.18 0.03 -2.88 0.00 0.00 179.24 176.45 3iie h ARG 383 N 0.03 1.03 -0.60 0.28 3.08 -0.58 -1.85 114.38 115.77 3iie h ARG 383 Ca 0.18 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3iie h ARG 383 Cb 0.27 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 3iie h ARG 383 CO -0.36 0.90 0.27 -0.22 -1.07 0.00 0.00 179.97 179.49 3iie h LYS 384 N 0.99 0.88 -0.63 0.04 3.11 -0.63 -1.87 116.57 118.46 3iie h LYS 384 Ca 0.21 -0.14 -0.09 0.00 -2.81 0.00 0.00 60.65 57.82 3iie h LYS 384 Cb 0.32 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 3iie h LYS 384 CO -0.00 0.73 0.05 0.00 -2.81 0.00 0.00 179.45 177.41 3iie h ALA 385 N 1.11 0.89 -0.44 5.00 0.00 -0.92 -0.52 119.26 124.38 3iie h ALA 385 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iie h ALA 385 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iie h ALA 385 CO -0.02 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.17 3iie h ARG 386 N 0.99 0.59 -0.39 0.00 3.08 -1.14 0.55 114.38 118.05 3iie h ARG 386 Ca 0.19 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.22 3iie h ARG 386 Cb 0.51 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 3iie h ARG 386 CO 0.02 0.42 0.18 -0.44 -1.07 0.00 0.00 179.97 179.09 3iie h ASP 387 N 0.58 0.26 -0.33 7.04 3.32 -0.71 0.98 116.42 127.56 3iie h ASP 387 Ca 0.16 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 3iie h ASP 387 Cb -0.02 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 3iie h ASP 387 CO -0.03 0.19 -0.40 0.58 -1.72 0.00 0.00 179.24 177.86 3iie h VAL 388 N 0.38 1.28 -0.13 -1.35 2.07 -0.93 0.92 116.25 118.49 3iie h VAL 388 Ca 0.17 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 66.13 3iie h VAL 388 Cb 0.09 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3iie h VAL 388 CO -0.13 0.52 -0.00 0.00 0.02 0.00 0.00 177.57 177.98 3iie h ALA 389 N 0.73 0.11 -0.50 1.67 0.00 -0.59 0.45 119.26 121.12 3iie h ALA 389 Ca 0.04 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3iie h ALA 389 Cb 1.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3iie h ALA 389 CO 0.10 -0.45 0.30 0.00 0.00 0.00 0.00 179.25 179.19 3iie h ALA 390 N 1.11 0.64 -0.30 0.00 0.00 -0.62 0.33 119.26 120.42 3iie h ALA 390 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3iie h ALA 390 Cb 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3iie h ALA 390 CO -0.10 0.00 -0.03 1.96 0.00 0.00 0.00 179.25 181.07 3iie h GLN 391 N 0.60 0.05 0.00 0.00 4.20 -0.08 -2.02 115.11 117.85 3iie h GLN 391 Ca 0.20 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 3iie h GLN 391 Cb 0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3iie h GLN 391 CO -0.09 0.03 -0.23 0.28 -0.67 0.00 0.00 178.83 178.15 3iie h VAL 392 N 0.05 0.84 0.15 -0.54 2.07 0.10 -2.86 116.25 116.05 3iie h VAL 392 Ca 0.15 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3iie h VAL 392 Cb 0.21 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3iie h VAL 392 CO -0.28 0.23 -0.07 0.40 0.02 0.00 0.00 177.57 177.87 3iie h ILE 393 N 0.00 0.00 -0.59 4.57 2.04 -0.49 -3.23 117.51 119.81 3iie h ILE 393 Ca -0.00 -0.10 0.24 0.00 1.00 0.00 0.00 64.86 66.00 3iie h ILE 393 Cb 0.52 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 3iie h ILE 393 CO 0.03 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.51 3iie n ALA 394 N -2.17 0.60 -1.40 1.87 0.00 -0.81 -2.73 120.51 115.87 3iie n ALA 394 Ca -0.02 0.55 -0.27 0.00 0.00 0.00 0.00 53.44 53.70 3iie n ALA 394 Cb 0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 3iie n ALA 394 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3iie n LYS 395 N -4.18 2.34 0.00 0.00 4.01 -1.12 -5.14 118.16 114.07 3iie n LYS 395 Ca 0.21 -2.38 0.00 0.00 -0.51 0.00 0.00 58.31 55.63 3iie n LYS 395 Cb 0.74 -2.06 0.00 0.00 -0.51 0.00 0.00 35.03 33.21 3iie n LYS 395 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76