#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ii4 s THR 2 N 0.00 2.61 -0.08 2.03 -4.23 -1.25 -4.74 115.64 109.99 3ii4 s THR 2 Ca 0.00 0.44 0.03 0.00 -1.18 0.00 0.00 61.69 60.98 3ii4 s THR 2 Cb 0.00 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.64 3ii4 s THR 2 CO 0.00 -0.02 -0.16 -2.28 -0.54 0.00 0.00 174.62 171.61 3ii4 s HIS 3 N -1.47 1.90 0.08 3.99 5.65 -1.26 -1.53 115.29 122.65 3ii4 s HIS 3 Ca 0.70 -0.77 0.08 0.00 0.25 0.00 0.00 55.06 55.32 3ii4 s HIS 3 Cb -0.33 -1.33 -0.03 0.00 -1.18 0.00 0.00 32.58 29.70 3ii4 s HIS 3 CO 0.39 -0.36 -0.23 0.71 -0.65 0.00 0.00 174.74 174.61 3ii4 s TYR 4 N 0.62 1.96 0.14 3.88 1.51 -1.02 -4.99 117.35 119.45 3ii4 s TYR 4 Ca -0.14 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.33 3ii4 s TYR 4 Cb -0.16 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 3ii4 s TYR 4 CO 0.04 0.18 1.70 -0.44 -1.11 0.00 0.00 175.55 175.91 3ii4 h ASP 5 N 4.43 -0.23 -4.35 2.29 3.45 -1.67 -3.17 116.42 117.17 3ii4 h ASP 5 Ca -0.46 0.08 -0.47 0.00 0.43 0.00 0.00 57.03 56.61 3ii4 h ASP 5 Cb 1.17 0.15 -0.23 0.00 -0.56 0.00 0.00 39.33 39.86 3ii4 h ASP 5 CO 0.42 -0.08 -0.80 -0.69 -1.57 0.00 0.00 179.24 176.51 3ii4 s VAL 6 N -6.21 1.31 -0.03 -1.35 1.01 0.04 -1.92 120.40 113.25 3ii4 s VAL 6 Ca -0.13 -1.29 -0.00 0.00 0.00 0.00 0.00 61.98 60.55 3ii4 s VAL 6 Cb 0.11 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.31 3ii4 s VAL 6 CO 0.69 -0.10 0.01 -0.69 0.00 0.00 0.00 175.10 175.01 3ii4 s VAL 7 N -1.12 0.11 -0.06 2.92 1.01 -1.01 -2.57 120.40 119.69 3ii4 s VAL 7 Ca 0.02 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3ii4 s VAL 7 Cb -0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 3ii4 s VAL 7 CO 0.03 0.14 -0.06 0.54 0.00 0.00 0.00 175.10 175.75 3ii4 s VAL 8 N 1.21 3.77 -0.31 2.92 0.11 0.12 -1.31 120.40 126.91 3ii4 s VAL 8 Ca -0.07 -0.50 -0.07 0.00 -2.93 0.00 0.00 61.98 58.40 3ii4 s VAL 8 Cb -0.13 -2.56 0.02 0.00 -1.53 0.00 0.00 36.38 32.17 3ii4 s VAL 8 CO -0.02 0.56 0.10 -0.22 -3.33 0.00 0.00 175.10 172.19 3ii4 s LEU 9 N -0.93 4.01 0.00 2.54 2.96 -0.13 -0.08 118.68 127.05 3ii4 s LEU 9 Ca 0.13 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 3ii4 s LEU 9 Cb -0.11 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3ii4 s LEU 9 CO 0.03 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 3ii4 n GLY 10 N 4.87 1.98 1.86 7.98 0.00 0.98 -0.82 105.19 122.04 3ii4 n GLY 10 Ca -0.14 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 3ii4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii4 n ALA 11 N 2.61 5.02 -1.19 4.61 0.00 -1.26 -4.24 120.51 126.07 3ii4 n ALA 11 Ca 0.00 -2.87 -0.09 0.00 0.00 0.00 0.00 53.44 50.48 3ii4 n ALA 11 Cb 0.00 -1.20 0.10 0.00 0.00 0.00 0.00 19.45 18.35 3ii4 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ii4 n GLY 12 N -0.98 -2.04 0.38 0.00 0.00 -1.26 -0.23 105.19 101.06 3ii4 n GLY 12 Ca 0.49 -1.56 0.18 0.00 0.00 0.00 0.00 46.02 45.12 3ii4 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ii4 h PRO 13 N 0.00 0.53 0.02 1.61 0.11 -1.93 -1.00 132.00 131.33 3ii4 h PRO 13 Ca -0.18 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.78 3ii4 h PRO 13 Cb 0.53 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.54 3ii4 h PRO 13 CO 0.12 0.35 -0.46 0.78 -0.21 0.00 0.00 178.00 178.58 3ii4 h GLY 14 N 0.54 0.32 0.88 -0.55 0.00 -1.85 -3.21 103.07 99.21 3ii4 h GLY 14 Ca 0.54 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3ii4 h GLY 14 CO -0.29 0.52 -0.27 -1.33 0.00 0.00 0.00 176.54 175.18 3ii4 h GLY 15 N -0.33 -0.79 2.00 4.60 0.00 -1.54 -1.00 103.07 106.01 3ii4 h GLY 15 Ca -0.06 0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 3ii4 h GLY 15 CO 0.09 -0.29 -0.10 0.10 0.00 0.00 0.00 176.54 176.35 3ii4 h TYR 16 N -0.88 0.00 0.14 5.60 -0.00 -1.39 -1.52 116.97 118.93 3ii4 h TYR 16 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.36 3ii4 h TYR 16 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.36 3ii4 h TYR 16 CO -0.01 0.10 -1.33 0.28 -0.00 0.00 0.00 178.16 177.20 3ii4 h VAL 17 N 0.00 1.41 -0.14 -0.90 2.07 -1.54 -2.51 116.25 114.63 3ii4 h VAL 17 Ca -0.00 -2.97 -0.08 0.00 0.82 0.00 0.00 66.70 64.47 3ii4 h VAL 17 Cb 0.24 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3ii4 h VAL 17 CO 0.01 0.87 -0.28 0.00 0.02 0.00 0.00 177.57 178.19 3ii4 h ALA 18 N 0.51 1.26 -0.19 1.67 0.00 -0.62 -1.04 119.26 120.84 3ii4 h ALA 18 Ca -0.17 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 3ii4 h ALA 18 Cb 2.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3ii4 h ALA 18 CO 0.21 0.50 -0.45 0.00 0.00 0.00 0.00 179.25 179.50 3ii4 h ALA 19 N 1.47 0.31 -0.62 0.00 0.00 -1.32 -1.55 119.26 117.55 3ii4 h ALA 19 Ca 0.04 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ii4 h ALA 19 Cb 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3ii4 h ALA 19 CO 0.05 0.45 0.38 0.82 0.00 0.00 0.00 179.25 180.94 3ii4 h ILE 20 N 0.33 1.18 -0.43 0.00 2.04 -1.06 0.75 117.51 120.32 3ii4 h ILE 20 Ca -0.00 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 3ii4 h ILE 20 Cb 1.06 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3ii4 h ILE 20 CO 0.10 0.19 -0.16 -0.09 0.00 0.00 0.00 178.15 178.19 3ii4 h ARG 21 N 0.85 0.82 0.07 2.37 9.65 -1.18 -1.57 114.38 125.39 3ii4 h ARG 21 Ca 0.22 -0.30 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 3ii4 h ARG 21 Cb -0.02 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 3ii4 h ARG 21 CO -0.04 0.92 -0.03 0.00 2.80 0.00 0.00 179.97 183.62 3ii4 h ALA 22 N 1.09 -0.09 -0.62 2.80 0.00 -0.79 -2.04 119.26 119.60 3ii4 h ALA 22 Ca 0.11 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3ii4 h ALA 22 Cb 0.67 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3ii4 h ALA 22 CO 0.05 -0.51 0.30 0.00 0.00 0.00 0.00 179.25 179.09 3ii4 h ALA 23 N 0.75 0.82 -0.81 0.00 0.00 -0.68 -1.23 119.26 118.12 3ii4 h ALA 23 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ii4 h ALA 23 Cb 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3ii4 h ALA 23 CO 0.02 -0.07 0.53 1.96 0.00 0.00 0.00 179.25 181.69 3ii4 h GLN 24 N 0.55 1.07 -0.32 0.00 4.20 -1.07 -0.72 115.11 118.82 3ii4 h GLN 24 Ca 0.29 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3ii4 h GLN 24 Cb 0.26 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3ii4 h GLN 24 CO -0.22 0.71 0.00 1.28 -0.67 0.00 0.00 178.83 179.93 3ii4 n LEU 25 N -4.41 0.44 -1.87 1.46 4.77 -0.63 -4.86 117.00 111.91 3ii4 n LEU 25 Ca 0.09 -0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 55.74 3ii4 n LEU 25 Cb 0.03 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3ii4 n LEU 25 CO 0.37 0.10 0.11 0.61 -1.33 0.00 0.00 177.39 177.24 3ii4 n GLY 26 N 0.38 0.29 3.36 -0.72 0.00 -0.28 -5.02 105.19 103.20 3ii4 n GLY 26 Ca 0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3ii4 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ii4 s LEU 27 N -3.78 2.99 -0.21 0.99 1.43 -0.56 -5.01 118.68 114.53 3ii4 s LEU 27 Ca 0.24 -0.33 -0.34 0.00 -1.03 0.00 0.00 54.13 52.68 3ii4 s LEU 27 Cb -0.11 -1.75 -0.10 0.00 0.03 0.00 0.00 46.19 44.26 3ii4 s LEU 27 CO 0.32 0.02 2.05 -0.24 0.23 0.00 0.00 176.35 178.73 3ii4 n SER 28 N 4.50 2.92 -4.33 2.29 2.88 -1.26 -4.06 113.62 116.57 3ii4 n SER 28 Ca -0.18 0.64 -0.26 0.00 -1.33 0.00 0.00 58.87 57.74 3ii4 n SER 28 Cb 0.51 -1.36 -0.13 0.00 -0.75 0.00 0.00 64.21 62.49 3ii4 n SER 28 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3ii4 s THR 29 N 5.99 1.92 -0.09 2.46 2.01 -1.26 -0.78 115.64 125.88 3ii4 s THR 29 Ca 1.00 -1.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 3ii4 s THR 29 Cb -0.70 -1.73 0.03 0.00 0.01 0.00 0.00 72.50 70.11 3ii4 s THR 29 CO 0.48 -0.03 0.22 0.00 -0.69 0.00 0.00 174.62 174.60 3ii4 s ALA 30 N -1.19 -0.51 -0.10 7.40 0.00 -1.06 -1.78 121.76 124.53 3ii4 s ALA 30 Ca 0.10 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.85 3ii4 s ALA 30 Cb -0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3ii4 s ALA 30 CO 0.05 -0.14 -0.21 -1.50 0.00 0.00 0.00 175.76 173.96 3ii4 s ILE 31 N 0.69 2.40 -0.28 0.00 2.07 -0.06 -0.70 121.20 125.31 3ii4 s ILE 31 Ca -0.05 -0.91 -0.07 0.00 -1.41 0.00 0.00 60.65 58.21 3ii4 s ILE 31 Cb -0.06 -1.94 -0.01 0.00 0.13 0.00 0.00 42.46 40.59 3ii4 s ILE 31 CO -0.04 0.55 0.08 -0.69 -1.91 0.00 0.00 174.94 172.94 3ii4 s VAL 32 N 0.16 4.15 -0.08 4.00 1.01 0.88 -1.22 120.40 129.31 3ii4 s VAL 32 Ca -0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3ii4 s VAL 32 Cb -0.16 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.20 3ii4 s VAL 32 CO 0.06 0.17 0.17 -0.70 0.00 0.00 0.00 175.10 174.80 3ii4 s GLU 33 N 1.55 0.10 0.08 2.72 2.56 -0.88 -0.01 118.70 124.82 3ii4 s GLU 33 Ca 0.04 0.45 0.20 0.00 0.00 0.00 0.00 54.97 55.67 3ii4 s GLU 33 Cb -0.16 -0.18 -0.13 0.00 2.00 0.00 0.00 34.13 35.65 3ii4 s GLU 33 CO 0.03 -0.20 0.78 -0.35 -0.56 0.00 0.00 175.26 174.96 3ii4 n PRO 34 N 4.50 0.63 0.11 4.30 -0.04 -0.33 -2.38 135.00 141.80 3ii4 n PRO 34 Ca -0.21 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 3ii4 n PRO 34 Cb 0.51 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3ii4 n PRO 34 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3ii4 n LYS 35 N -2.66 0.00 -3.44 0.54 4.81 -1.26 -4.73 118.16 111.43 3ii4 n LYS 35 Ca -0.06 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.95 3ii4 n LYS 35 Cb 0.68 -0.11 -0.07 0.00 0.02 0.00 0.00 35.03 35.56 3ii4 n LYS 35 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3ii4 s TYR 36 N -2.00 3.34 -0.44 5.64 4.12 -1.26 -5.03 117.35 121.72 3ii4 s TYR 36 Ca 0.00 -1.56 -0.28 0.00 0.02 0.00 0.00 57.07 55.25 3ii4 s TYR 36 Cb 0.00 -3.61 0.03 0.00 -1.52 0.00 0.00 41.96 36.85 3ii4 s TYR 36 CO 0.00 -1.00 1.04 -1.58 0.02 0.00 0.00 175.55 174.04 3ii4 s TRP 37 N 1.48 2.92 0.00 2.71 0.52 -1.26 -0.81 118.94 124.51 3ii4 s TRP 37 Ca 0.04 0.70 0.00 0.00 0.02 0.00 0.00 56.10 56.86 3ii4 s TRP 37 Cb -0.28 -4.11 0.00 0.00 -1.15 0.00 0.00 33.47 27.93 3ii4 s TRP 37 CO 0.01 -1.10 0.00 0.41 0.02 0.00 0.00 176.95 176.29 3ii4 n GLY 38 N 4.68 0.71 7.00 0.98 0.00 0.68 -4.72 105.19 114.52 3ii4 n GLY 38 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ii4 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii4 n GLY 39 N -1.14 1.26 0.10 -0.02 0.00 0.01 -2.31 105.19 103.10 3ii4 n GLY 39 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 3ii4 n GLY 39 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ii4 h VAL 40 N 0.00 1.40 -0.35 1.61 2.07 -1.94 -3.05 116.25 115.99 3ii4 h VAL 40 Ca 0.00 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.16 3ii4 h VAL 40 Cb 0.00 2.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 3ii4 h VAL 40 CO 0.00 0.39 -0.44 0.00 0.02 0.00 0.00 177.57 177.54 3ii4 h LEU 42 N -0.29 0.17 0.00 0.00 3.38 -1.61 -0.23 115.31 116.73 3ii4 h LEU 42 Ca 0.06 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3ii4 h LEU 42 Cb 0.45 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3ii4 h LEU 42 CO -0.49 0.78 -0.50 0.78 0.09 0.00 0.00 178.44 179.10 3ii4 h ASN 43 N 0.10 0.00 0.00 -0.43 2.35 -1.38 -3.41 115.58 112.81 3ii4 h ASN 43 Ca -0.01 -0.37 -0.12 0.00 -0.55 0.00 0.00 56.30 55.25 3ii4 h ASN 43 Cb 1.17 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.28 3ii4 h ASN 43 CO 0.10 0.97 -0.85 1.33 -1.65 0.00 0.00 177.43 177.32 3ii4 n VAL 44 N -4.60 0.48 0.00 2.81 0.24 0.58 -4.72 118.33 113.12 3ii4 n VAL 44 Ca -0.13 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 60.80 3ii4 n VAL 44 Cb 0.37 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 3ii4 n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ii4 n GLY 45 N 0.08 3.46 0.05 7.63 0.00 0.32 -4.78 105.19 111.95 3ii4 n GLY 45 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 3ii4 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii4 h ILE 47 N 0.00 0.00 -0.57 0.00 1.08 -1.61 -0.53 117.51 115.88 3ii4 h ILE 47 Ca 0.02 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 3ii4 h ILE 47 Cb 0.05 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.77 3ii4 h ILE 47 CO -0.11 0.00 0.38 1.55 -0.69 0.00 0.00 178.15 179.28 3ii4 h PRO 48 N -0.10 0.76 0.15 2.37 0.13 -1.74 -3.06 132.00 130.51 3ii4 h PRO 48 Ca 0.00 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.10 3ii4 h PRO 48 Cb 0.10 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.03 3ii4 h PRO 48 CO -0.05 0.50 -0.28 1.03 -0.23 0.00 0.00 178.00 178.98 3ii4 h SER 49 N 0.78 -0.79 0.66 1.44 0.87 -0.92 -2.50 113.55 113.09 3ii4 h SER 49 Ca 0.21 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3ii4 h SER 49 Cb -0.09 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3ii4 h SER 49 CO -0.05 -0.37 0.00 0.29 -0.53 0.00 0.00 176.83 176.17 3ii4 n LYS 50 N -5.39 0.06 0.09 2.24 4.01 -0.23 -1.85 118.16 117.09 3ii4 n LYS 50 Ca -0.07 0.26 -0.22 0.00 -0.51 0.00 0.00 58.31 57.77 3ii4 n LYS 50 Cb 0.30 -1.61 -0.15 0.00 -0.51 0.00 0.00 35.03 33.06 3ii4 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ii4 h ALA 51 N 2.50 -0.12 -0.69 7.82 0.00 -1.38 -3.05 119.26 124.34 3ii4 h ALA 51 Ca 0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 54.91 54.09 3ii4 h ALA 51 Cb 0.33 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3ii4 h ALA 51 CO 0.00 0.51 0.20 -0.07 0.00 0.00 0.00 179.25 179.89 3ii4 h LEU 52 N -0.14 1.00 -1.34 0.00 4.07 -1.05 -2.16 115.31 115.68 3ii4 h LEU 52 Ca -0.19 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 57.57 3ii4 h LEU 52 Cb 1.87 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 43.32 3ii4 h LEU 52 CO 0.21 0.95 0.35 -0.07 -1.08 0.00 0.00 178.44 178.79 3ii4 h LEU 53 N 1.03 0.70 -0.35 1.67 3.38 -1.43 -0.04 115.31 120.26 3ii4 h LEU 53 Ca 0.22 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3ii4 h LEU 53 Cb 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3ii4 h LEU 53 CO -0.01 0.54 -0.08 -0.09 0.09 0.00 0.00 178.44 178.89 3ii4 h ARG 54 N 0.81 0.68 -0.46 1.13 9.65 -1.29 0.64 114.38 125.53 3ii4 h ARG 54 Ca 0.21 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 58.81 3ii4 h ARG 54 Cb -0.02 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 3ii4 h ARG 54 CO -0.04 0.84 0.19 -0.91 2.80 0.00 0.00 179.97 182.85 3ii4 h ASN 55 N 0.47 0.63 -0.78 -3.80 4.21 -0.83 -2.10 115.58 113.38 3ii4 h ASN 55 Ca 0.09 -0.16 -0.03 0.00 1.21 0.00 0.00 56.30 57.40 3ii4 h ASN 55 Cb 0.59 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.59 3ii4 h ASN 55 CO 0.03 0.62 0.35 0.00 -1.29 0.00 0.00 177.43 177.15 3ii4 h ALA 56 N 1.03 1.14 -0.92 -0.83 0.00 -0.90 -2.12 119.26 116.66 3ii4 h ALA 56 Ca 0.15 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ii4 h ALA 56 Cb 0.18 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3ii4 h ALA 56 CO -0.01 0.64 0.59 1.49 0.00 0.00 0.00 179.25 181.96 3ii4 h GLU 57 N 1.13 1.10 -0.42 0.00 4.81 -0.42 -0.55 114.58 120.23 3ii4 h GLU 57 Ca 0.27 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3ii4 h GLU 57 Cb 0.15 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3ii4 h GLU 57 CO -0.03 0.73 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.86 3ii4 h LEU 58 N 1.13 0.76 -1.06 1.64 4.07 -0.83 -1.89 115.31 119.14 3ii4 h LEU 58 Ca 0.38 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 58.04 3ii4 h LEU 58 Cb 0.05 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.53 3ii4 h LEU 58 CO -0.13 0.92 0.63 0.58 -1.08 0.00 0.00 178.44 179.35 3ii4 h VAL 59 N 0.60 1.17 -0.59 1.22 2.07 -0.91 0.82 116.25 120.62 3ii4 h VAL 59 Ca 0.11 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3ii4 h VAL 59 Cb 0.55 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 3ii4 h VAL 59 CO 0.03 0.22 0.35 -0.74 0.02 0.00 0.00 177.57 177.46 3ii4 h HIS 60 N 1.22 0.78 0.37 1.57 6.17 -0.72 -2.86 115.15 121.67 3ii4 h HIS 60 Ca 0.38 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.44 3ii4 h HIS 60 Cb -0.00 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 29.68 3ii4 h HIS 60 CO -0.00 0.54 -0.18 0.82 0.71 0.00 0.00 177.93 179.82 3ii4 h ILE 61 N 0.80 0.00 0.00 6.26 2.04 -0.53 -1.92 117.51 124.17 3ii4 h ILE 61 Ca 0.21 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3ii4 h ILE 61 Cb -0.01 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3ii4 h ILE 61 CO -0.04 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.60 3ii4 n PHE 62 N -4.61 0.00 0.00 1.37 3.01 0.20 -1.72 117.46 115.70 3ii4 n PHE 62 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3ii4 n PHE 62 Cb 0.19 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 3ii4 n PHE 62 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3ii4 n THR 63 N 0.41 0.00 -0.11 4.37 -1.04 -1.08 -4.72 114.28 112.11 3ii4 n THR 63 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3ii4 n THR 63 Cb 0.04 -0.18 -0.13 0.00 -1.82 0.00 0.00 70.33 68.25 3ii4 n THR 63 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3ii4 n LYS 64 N -1.80 0.71 -0.20 -2.82 4.81 -0.72 -4.59 118.16 113.56 3ii4 n LYS 64 Ca 0.00 0.09 0.07 0.00 -0.87 0.00 0.00 58.31 57.59 3ii4 n LYS 64 Cb 0.17 -1.49 0.17 0.00 0.02 0.00 0.00 35.03 33.90 3ii4 n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ii4 n ASP 65 N -3.03 3.04 -0.07 3.14 8.00 -0.70 -4.64 116.55 122.29 3ii4 n ASP 65 Ca -0.39 -1.98 -0.07 0.00 0.71 0.00 0.00 54.79 53.07 3ii4 n ASP 65 Cb 1.02 -0.26 -0.01 0.00 -0.02 0.00 0.00 41.12 41.85 3ii4 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ii4 h ALA 66 N 2.38 0.16 -0.54 2.24 0.00 -1.74 0.94 119.26 122.69 3ii4 h ALA 66 Ca 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3ii4 h ALA 66 Cb 0.76 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3ii4 h ALA 66 CO 0.00 -0.49 -0.07 -0.22 0.00 0.00 0.00 179.25 178.48 3ii4 h LYS 67 N -0.03 1.01 0.00 0.00 3.64 -1.82 0.53 116.57 119.89 3ii4 h LYS 67 Ca 0.14 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3ii4 h LYS 67 Cb 0.24 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3ii4 h LYS 67 CO -0.30 1.04 -0.12 0.00 -2.27 0.00 0.00 179.45 177.79 3ii4 h ALA 68 N 0.94 1.35 -0.47 5.00 0.00 -1.72 -1.86 119.26 122.51 3ii4 h ALA 68 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ii4 h ALA 68 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ii4 h ALA 68 CO 0.04 0.15 0.00 1.19 0.00 0.00 0.00 179.25 180.64 3ii4 n PHE 69 N -3.75 0.61 -1.33 0.00 0.99 0.28 -4.92 117.46 109.34 3ii4 n PHE 69 Ca -0.02 -0.31 -0.06 0.00 -0.00 0.00 0.00 57.45 57.07 3ii4 n PHE 69 Cb 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.69 3ii4 n PHE 69 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ii4 n GLY 70 N 1.40 0.69 3.65 1.37 0.00 -0.70 -5.01 105.19 106.59 3ii4 n GLY 70 Ca 0.19 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 3ii4 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ii4 s ILE 71 N -2.22 5.31 0.09 -0.61 1.01 0.18 -5.00 121.20 119.96 3ii4 s ILE 71 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.86 3ii4 s ILE 71 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 3ii4 s ILE 71 CO 0.00 0.35 -0.12 -0.94 0.00 0.00 0.00 174.94 174.23 3ii4 s SER 72 N 1.06 1.57 0.00 3.58 1.04 -1.26 -3.64 113.70 116.06 3ii4 s SER 72 Ca 0.07 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3ii4 s SER 72 Cb -0.14 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.96 3ii4 s SER 72 CO 0.04 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3ii4 n GLY 73 N 0.90 4.09 3.58 7.32 0.00 -1.26 -5.04 105.19 114.79 3ii4 n GLY 73 Ca -0.18 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 3ii4 n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ii4 s GLU 74 N -5.03 3.61 0.19 1.61 2.02 -1.26 -5.02 118.70 114.82 3ii4 s GLU 74 Ca 0.00 0.33 0.10 0.00 0.02 0.00 0.00 54.97 55.42 3ii4 s GLU 74 Cb 0.00 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 3ii4 s GLU 74 CO 0.00 -1.33 -0.16 0.54 0.02 0.00 0.00 175.26 174.33 3ii4 s VAL 75 N 4.13 2.80 0.21 2.63 0.11 -1.26 -5.15 120.40 123.87 3ii4 s VAL 75 Ca 0.42 -1.85 0.07 0.00 -2.93 0.00 0.00 61.98 57.70 3ii4 s VAL 75 Cb -0.09 -2.37 -0.05 0.00 -1.53 0.00 0.00 36.38 32.34 3ii4 s VAL 75 CO 0.29 -0.12 -0.13 0.42 -3.33 0.00 0.00 175.10 172.22 3ii4 s THR 76 N -1.72 1.69 -0.06 5.04 -4.23 -1.26 -5.13 115.64 109.98 3ii4 s THR 76 Ca 0.23 -2.20 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 3ii4 s THR 76 Cb -0.08 -2.06 0.00 0.00 1.34 0.00 0.00 72.50 71.70 3ii4 s THR 76 CO 0.13 -0.58 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.10 3ii4 s PHE 77 N -3.00 1.72 -0.39 3.99 0.40 -1.26 -5.11 117.98 114.33 3ii4 s PHE 77 Ca 0.23 -0.57 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 3ii4 s PHE 77 Cb -0.00 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.38 3ii4 s PHE 77 CO 0.07 -0.23 0.24 0.34 0.70 0.00 0.00 175.22 176.33 3ii4 s ASP 78 N 0.28 5.82 0.55 1.36 -1.08 -1.26 -4.94 116.67 117.40 3ii4 s ASP 78 Ca -0.09 -1.02 0.21 0.00 -0.52 0.00 0.00 52.55 51.13 3ii4 s ASP 78 Cb -0.14 -2.05 1.47 0.00 -1.46 0.00 0.00 42.92 40.74 3ii4 s ASP 78 CO 0.03 -0.42 2.18 0.22 0.52 0.00 0.00 175.17 177.71 3ii4 h TYR 79 N 8.49 0.00 -0.73 -5.34 3.20 -1.97 -1.66 116.97 118.96 3ii4 h TYR 79 Ca -0.26 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.69 3ii4 h TYR 79 Cb 1.11 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.31 3ii4 h TYR 79 CO 0.57 0.00 0.40 0.78 -1.64 0.00 0.00 178.16 178.27 3ii4 h GLY 80 N 0.00 1.10 1.11 1.82 0.00 -1.92 0.25 103.07 105.42 3ii4 h GLY 80 Ca 0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 3ii4 h GLY 80 CO -0.00 0.13 0.06 -2.22 0.00 0.00 0.00 176.54 174.51 3ii4 h ILE 81 N 0.71 1.26 -0.64 2.60 1.08 -1.68 -0.30 117.51 120.54 3ii4 h ILE 81 Ca 0.34 -1.09 -0.02 0.00 -0.39 0.00 0.00 64.86 63.71 3ii4 h ILE 81 Cb 0.27 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 3ii4 h ILE 81 CO -0.22 0.40 0.33 0.00 -0.69 0.00 0.00 178.15 177.97 3ii4 h ALA 82 N 1.05 0.82 -0.18 1.87 0.00 -1.13 -1.52 119.26 120.18 3ii4 h ALA 82 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ii4 h ALA 82 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ii4 h ALA 82 CO 0.02 0.37 0.11 -0.92 0.00 0.00 0.00 179.25 178.83 3ii4 h TYR 83 N 0.88 0.23 -0.77 0.00 3.20 -0.08 -2.09 116.97 118.35 3ii4 h TYR 83 Ca 0.22 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3ii4 h TYR 83 Cb 0.09 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3ii4 h TYR 83 CO -0.00 0.17 0.51 -0.44 -1.64 0.00 0.00 178.16 176.76 3ii4 h ASP 84 N 0.23 0.88 -0.29 -2.11 3.32 -0.75 -2.34 116.42 115.36 3ii4 h ASP 84 Ca 0.07 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.95 3ii4 h ASP 84 Cb 0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3ii4 h ASP 84 CO -0.01 0.64 -0.32 -0.09 -1.72 0.00 0.00 179.24 177.74 3ii4 h ARG 85 N 1.04 0.81 -0.48 3.56 2.43 -0.99 -2.57 114.38 118.18 3ii4 h ARG 85 Ca 0.28 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 3ii4 h ARG 85 Cb -0.12 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3ii4 h ARG 85 CO -0.06 1.02 0.03 0.66 -1.51 0.00 0.00 179.97 180.11 3ii4 h SER 86 N 0.68 0.74 -0.10 -3.80 4.64 -0.89 -2.05 113.55 112.78 3ii4 h SER 86 Ca 0.07 -0.16 -0.13 0.00 -0.47 0.00 0.00 61.79 61.10 3ii4 h SER 86 Cb 0.87 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3ii4 h SER 86 CO 0.08 0.78 -0.35 0.03 -0.87 0.00 0.00 176.83 176.50 3ii4 h ARG 87 N 0.73 0.60 -0.13 4.77 2.47 -1.32 -1.70 114.38 119.80 3ii4 h ARG 87 Ca 0.15 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 3ii4 h ARG 87 Cb 0.40 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3ii4 h ARG 87 CO 0.01 0.87 0.01 0.87 0.56 0.00 0.00 179.97 182.29 3ii4 h LYS 88 N 0.50 0.22 -0.66 0.04 1.57 -1.14 0.19 116.57 117.29 3ii4 h LYS 88 Ca 0.05 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3ii4 h LYS 88 Cb 0.85 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.08 3ii4 h LYS 88 CO 0.07 0.45 0.34 0.28 -0.57 0.00 0.00 179.45 180.02 3ii4 h VAL 89 N -0.03 0.92 0.02 0.50 2.07 -1.31 0.58 116.25 119.01 3ii4 h VAL 89 Ca 0.04 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3ii4 h VAL 89 Cb 0.34 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3ii4 h VAL 89 CO 0.01 0.11 -0.06 0.00 0.02 0.00 0.00 177.57 177.65 3ii4 h ALA 90 N 1.37 -0.08 -0.94 1.67 0.00 -1.08 -2.21 119.26 118.00 3ii4 h ALA 90 Ca 0.31 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.34 3ii4 h ALA 90 Cb 0.24 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.04 3ii4 h ALA 90 CO -0.21 -0.56 0.56 0.93 0.00 0.00 0.00 179.25 179.97 3ii4 h GLU 91 N -0.11 0.84 0.38 0.00 5.08 0.07 -1.03 114.58 119.82 3ii4 h GLU 91 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ii4 h GLU 91 Cb 0.13 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3ii4 h GLU 91 CO -0.04 0.56 -0.18 0.78 -1.00 0.00 0.00 179.01 179.12 3ii4 h GLY 92 N 0.87 -0.54 0.90 -3.84 0.00 -0.43 -0.96 103.07 99.06 3ii4 h GLY 92 Ca 0.48 0.20 0.03 0.00 0.00 0.00 0.00 47.33 48.03 3ii4 h GLY 92 CO -0.29 -0.20 0.48 3.21 0.00 0.00 0.00 176.54 179.74 3ii4 h ARG 93 N -0.59 0.91 -0.80 4.80 2.47 -1.02 -0.68 114.38 119.47 3ii4 h ARG 93 Ca -0.05 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 3ii4 h ARG 93 Cb 0.44 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 3ii4 h ARG 93 CO 0.09 0.60 0.45 0.28 0.56 0.00 0.00 179.97 181.95 3ii4 h VAL 94 N 0.94 1.23 -0.12 2.04 2.07 -1.08 -0.72 116.25 120.62 3ii4 h VAL 94 Ca 0.29 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 3ii4 h VAL 94 Cb -0.01 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3ii4 h VAL 94 CO -0.10 0.25 -0.42 0.00 0.02 0.00 0.00 177.57 177.32 3ii4 h ALA 95 N 1.38 1.07 0.00 1.67 0.00 -0.55 -2.72 119.26 120.11 3ii4 h ALA 95 Ca 0.28 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3ii4 h ALA 95 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ii4 h ALA 95 CO -0.05 0.60 -0.29 0.78 0.00 0.00 0.00 179.25 180.29 3ii4 h GLY 96 N 1.22 0.00 0.73 0.00 0.00 0.29 -2.69 103.07 102.61 3ii4 h GLY 96 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3ii4 h GLY 96 CO 0.07 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 174.51 3ii4 h VAL 97 N 0.00 1.28 -0.72 4.60 2.07 -0.96 -2.29 116.25 120.23 3ii4 h VAL 97 Ca -0.00 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.67 3ii4 h VAL 97 Cb 0.56 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3ii4 h VAL 97 CO 0.04 0.25 0.47 0.45 0.02 0.00 0.00 177.57 178.80 3ii4 h HIS 98 N -0.12 0.81 -0.32 1.57 3.86 -1.53 -0.16 115.15 119.27 3ii4 h HIS 98 Ca 0.03 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3ii4 h HIS 98 Cb 0.40 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3ii4 h HIS 98 CO 0.05 0.45 0.20 0.35 0.86 0.00 0.00 177.93 179.84 3ii4 h PHE 99 N 0.82 0.41 -0.77 2.45 3.57 -1.31 -0.92 116.94 121.19 3ii4 h PHE 99 Ca 0.30 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 3ii4 h PHE 99 Cb 0.14 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3ii4 h PHE 99 CO -0.00 0.28 0.32 -0.07 -2.23 0.00 0.00 178.31 176.60 3ii4 h LEU 100 N 0.42 1.05 -1.11 0.59 4.07 -0.65 0.21 115.31 119.88 3ii4 h LEU 100 Ca 0.11 -0.17 -0.05 0.00 0.08 0.00 0.00 57.88 57.86 3ii4 h LEU 100 Cb -0.02 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 3ii4 h LEU 100 CO -0.02 0.93 0.08 0.24 -1.08 0.00 0.00 178.44 178.59 3ii4 h MET 101 N 1.11 0.71 0.11 1.13 2.86 -0.75 -1.96 114.93 118.14 3ii4 h MET 101 Ca 0.26 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3ii4 h MET 101 Cb 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3ii4 h MET 101 CO -0.02 0.67 -0.05 -0.22 1.06 0.00 0.00 176.91 178.34 3ii4 h LYS 102 N 0.68 -0.14 -0.82 1.72 3.64 -0.64 0.14 116.57 121.16 3ii4 h LYS 102 Ca 0.15 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.73 3ii4 h LYS 102 Cb 0.30 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 3ii4 h LYS 102 CO 0.00 0.35 0.55 -0.22 -2.27 0.00 0.00 179.45 177.87 3ii4 h LYS 103 N -0.77 0.30 -0.64 1.90 3.64 -0.50 -1.03 116.57 119.47 3ii4 h LYS 103 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ii4 h LYS 103 Cb 0.56 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3ii4 h LYS 103 CO 0.02 0.20 0.00 0.09 -2.27 0.00 0.00 179.45 177.50 3ii4 n ASN 104 N -4.45 4.05 -2.30 4.20 3.02 -0.75 -4.93 115.26 114.10 3ii4 n ASN 104 Ca 0.17 -2.29 -0.19 0.00 -0.03 0.00 0.00 54.58 52.24 3ii4 n ASN 104 Cb 0.67 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 3ii4 n ASN 104 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ii4 n LYS 105 N 1.08 -1.77 -2.83 3.52 4.76 -0.39 -4.88 118.16 117.64 3ii4 n LYS 105 Ca 0.22 0.93 -0.41 0.00 -2.87 0.00 0.00 58.31 56.18 3ii4 n LYS 105 Cb 0.73 -5.54 -0.04 0.00 -1.84 0.00 0.00 35.03 28.35 3ii4 n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ii4 s ILE 106 N -2.89 4.91 0.06 -0.18 1.01 0.49 -4.81 121.20 119.79 3ii4 s ILE 106 Ca 0.00 1.81 -0.30 0.00 0.00 0.00 0.00 60.65 62.16 3ii4 s ILE 106 Cb 0.00 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 3ii4 s ILE 106 CO 0.00 0.14 1.16 -0.89 0.00 0.00 0.00 174.94 175.35 3ii4 s THR 107 N 1.28 4.15 -0.19 2.92 2.01 -0.73 -4.64 115.64 120.44 3ii4 s THR 107 Ca 0.45 1.55 -0.07 0.00 0.31 0.00 0.00 61.69 63.93 3ii4 s THR 107 Cb -0.19 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3ii4 s THR 107 CO 0.21 0.13 0.06 -1.61 -0.69 0.00 0.00 174.62 172.71 3ii4 s GLU 108 N 1.00 3.89 -0.24 4.92 2.02 -1.26 -0.88 118.70 128.15 3ii4 s GLU 108 Ca 0.57 -0.38 -0.01 0.00 0.02 0.00 0.00 54.97 55.17 3ii4 s GLU 108 Cb -0.28 -3.21 0.02 0.00 0.10 0.00 0.00 34.13 30.76 3ii4 s GLU 108 CO 0.29 0.19 -0.08 0.42 0.02 0.00 0.00 175.26 176.10 3ii4 s ILE 109 N 0.60 2.75 -0.85 -1.63 1.01 -0.35 -4.95 121.20 117.78 3ii4 s ILE 109 Ca 0.03 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 3ii4 s ILE 109 Cb -0.13 -2.37 0.16 0.00 0.01 0.00 0.00 42.46 40.13 3ii4 s ILE 109 CO 0.01 0.25 0.93 -1.00 0.00 0.00 0.00 174.94 175.13 3ii4 s HIS 110 N 1.32 3.37 -0.56 3.97 3.76 -1.26 -2.08 115.29 123.81 3ii4 s HIS 110 Ca 0.01 -1.59 0.00 0.00 -0.15 0.00 0.00 55.06 53.33 3ii4 s HIS 110 Cb -0.16 -4.06 0.00 0.00 1.11 0.00 0.00 32.58 29.47 3ii4 s HIS 110 CO -0.06 -1.26 0.00 0.41 -0.85 0.00 0.00 174.74 172.98 3ii4 n GLY 111 N 4.83 -1.17 3.57 -2.22 0.00 -1.00 -0.85 105.19 108.35 3ii4 n GLY 111 Ca 0.16 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 3ii4 n GLY 111 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ii4 s TYR 112 N -3.00 3.20 0.00 1.61 5.04 -1.07 -1.19 117.35 121.95 3ii4 s TYR 112 Ca 0.00 -0.05 -0.16 0.00 -2.44 0.00 0.00 57.07 54.42 3ii4 s TYR 112 Cb 0.00 -2.20 -0.06 0.00 0.35 0.00 0.00 41.96 40.06 3ii4 s TYR 112 CO 0.00 -0.06 0.44 0.20 -1.34 0.00 0.00 175.55 174.78 3ii4 s GLY 113 N 1.05 2.50 -0.06 8.97 0.00 -1.26 -1.09 107.32 117.44 3ii4 s GLY 113 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 3ii4 s GLY 113 CO 0.04 0.25 0.00 -1.59 0.00 0.00 0.00 173.10 171.80 3ii4 s THR 114 N -0.94 0.31 0.20 0.90 2.01 0.53 -4.78 115.64 113.87 3ii4 s THR 114 Ca 0.25 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 3ii4 s THR 114 Cb -0.17 -0.45 -0.09 0.00 0.01 0.00 0.00 72.50 71.80 3ii4 s THR 114 CO 0.14 0.23 1.43 -0.36 -0.69 0.00 0.00 174.62 175.37 3ii4 s PHE 115 N 1.70 3.11 -0.02 4.92 0.40 0.21 -1.03 117.98 127.27 3ii4 s PHE 115 Ca 0.00 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.32 3ii4 s PHE 115 Cb -0.13 -3.78 -0.00 0.00 0.51 0.00 0.00 43.02 39.63 3ii4 s PHE 115 CO -0.04 -2.61 0.23 0.00 0.70 0.00 0.00 175.22 173.51 3ii4 n ALA 116 N 2.93 2.24 -3.64 5.36 0.00 -0.75 -4.45 120.51 122.20 3ii4 n ALA 116 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 3ii4 n ALA 116 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 3ii4 n ALA 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ii4 s ASP 117 N -0.57 -0.13 0.29 0.00 2.15 -1.10 -4.92 116.67 112.38 3ii4 s ASP 117 Ca 0.00 -0.17 0.23 0.00 0.43 0.00 0.00 52.55 53.04 3ii4 s ASP 117 Cb 0.00 0.26 1.07 0.00 -0.30 0.00 0.00 42.92 43.95 3ii4 s ASP 117 CO 0.01 -0.48 1.71 0.00 -0.17 0.00 0.00 175.17 176.23 3ii4 n ALA 118 N -0.40 1.45 -0.65 3.66 0.00 -1.25 -2.86 120.51 120.46 3ii4 n ALA 118 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3ii4 n ALA 118 Cb 0.61 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3ii4 n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ii4 n ASN 119 N -2.27 0.68 -4.14 0.00 4.13 -1.26 -4.96 115.26 107.44 3ii4 n ASN 119 Ca 0.01 -1.33 -0.26 0.00 1.68 0.00 0.00 54.58 54.68 3ii4 n ASN 119 Cb 0.16 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.24 3ii4 n ASN 119 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3ii4 s THR 120 N -0.33 1.45 -0.16 3.41 2.01 -1.13 -1.72 115.64 119.16 3ii4 s THR 120 Ca 0.00 -0.72 -0.00 0.00 0.31 0.00 0.00 61.69 61.27 3ii4 s THR 120 Cb 0.00 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 71.30 3ii4 s THR 120 CO 0.00 0.42 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.07 3ii4 s LEU 121 N 0.05 1.63 -0.01 4.42 2.96 0.69 -1.80 118.68 126.62 3ii4 s LEU 121 Ca -0.04 -0.65 -0.23 0.00 -0.22 0.00 0.00 54.13 52.99 3ii4 s LEU 121 Cb -0.12 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 3ii4 s LEU 121 CO 0.02 -0.18 0.67 -0.22 -1.32 0.00 0.00 176.35 175.33 3ii4 s LEU 122 N 1.62 4.40 -0.01 -0.68 2.96 -0.20 -0.89 118.68 125.88 3ii4 s LEU 122 Ca 0.01 1.25 0.08 0.00 -0.22 0.00 0.00 54.13 55.25 3ii4 s LEU 122 Cb -0.15 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 3ii4 s LEU 122 CO -0.08 0.02 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.02 3ii4 s VAL 123 N 0.11 2.06 -0.84 1.68 1.01 -0.22 -0.35 120.40 123.85 3ii4 s VAL 123 Ca 0.35 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 3ii4 s VAL 123 Cb -0.19 -1.71 0.21 0.00 0.00 0.00 0.00 36.38 34.69 3ii4 s VAL 123 CO 0.19 0.56 0.74 -1.81 0.00 0.00 0.00 175.10 174.78 3ii4 s ASP 124 N -0.67 6.23 0.45 3.32 -0.00 -0.25 -2.53 116.67 123.22 3ii4 s ASP 124 Ca 0.10 -3.16 -0.21 0.00 -0.00 0.00 0.00 52.55 49.28 3ii4 s ASP 124 Cb -0.10 -2.03 -0.12 0.00 -0.00 0.00 0.00 42.92 40.67 3ii4 s ASP 124 CO -0.01 -0.36 0.56 0.18 -0.00 0.00 0.00 175.17 175.54 3ii4 n LEU 125 N 3.19 0.27 0.25 1.23 4.77 -1.00 -2.60 117.00 123.12 3ii4 n LEU 125 Ca 0.16 0.88 0.17 0.00 -0.03 0.00 0.00 56.01 57.18 3ii4 n LEU 125 Cb 0.40 -1.14 0.75 0.00 -2.33 0.00 0.00 43.42 41.11 3ii4 n LEU 125 CO 0.36 -2.86 1.00 0.78 -1.33 0.00 0.00 177.39 175.34 3ii4 h ASN 126 N 0.72 0.00 -0.42 -1.43 2.35 -1.31 -2.42 115.58 113.07 3ii4 h ASN 126 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3ii4 h ASN 126 Cb 1.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.77 3ii4 h ASN 126 CO 0.51 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.39 3ii4 n ASP 127 N -2.86 4.05 0.00 5.81 5.68 -1.26 -4.89 116.55 123.07 3ii4 n ASP 127 Ca 0.00 -2.54 0.00 0.00 -0.50 0.00 0.00 54.79 51.75 3ii4 n ASP 127 Cb 0.22 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 3ii4 n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ii4 n GLY 128 N 0.57 2.94 2.49 6.12 0.00 -0.91 -5.03 105.19 111.37 3ii4 n GLY 128 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3ii4 n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii4 n GLY 129 N -0.51 -3.86 3.31 -0.02 0.00 -1.26 -4.78 105.19 98.07 3ii4 n GLY 129 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 3ii4 n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ii4 s THR 130 N -1.85 -0.00 -0.21 2.61 2.01 -1.26 -2.37 115.64 114.56 3ii4 s THR 130 Ca 0.52 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.34 3ii4 s THR 130 Cb -0.09 -0.59 0.05 0.00 0.01 0.00 0.00 72.50 71.88 3ii4 s THR 130 CO 0.43 0.01 0.54 -1.83 -0.69 0.00 0.00 174.62 173.08 3ii4 s GLU 131 N 0.39 0.63 0.04 4.92 -1.05 -1.05 -4.97 118.70 117.60 3ii4 s GLU 131 Ca -0.01 0.77 0.03 0.00 -0.15 0.00 0.00 54.97 55.61 3ii4 s GLU 131 Cb -0.04 0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 3ii4 s GLU 131 CO -0.01 -0.08 -0.01 -1.12 0.95 0.00 0.00 175.26 174.98 3ii4 s SER 132 N 0.36 4.97 0.03 0.83 0.01 -1.26 -1.06 113.70 117.58 3ii4 s SER 132 Ca -0.01 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.18 3ii4 s SER 132 Cb -0.04 -1.22 -0.02 0.00 0.21 0.00 0.00 66.02 64.95 3ii4 s SER 132 CO -0.00 0.24 -0.11 -0.69 0.41 0.00 0.00 173.24 173.08 3ii4 s VAL 133 N -1.16 0.85 0.31 3.43 1.01 -0.07 -3.75 120.40 121.02 3ii4 s VAL 133 Ca 0.22 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3ii4 s VAL 133 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3ii4 s VAL 133 CO 0.13 -0.05 0.32 0.42 0.00 0.00 0.00 175.10 175.92 3ii4 s THR 134 N -0.81 3.98 -0.10 3.92 -4.23 -0.58 -0.22 115.64 117.59 3ii4 s THR 134 Ca -0.01 -1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 58.94 3ii4 s THR 134 Cb -0.07 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.53 3ii4 s THR 134 CO 0.01 -0.22 0.85 0.72 -0.54 0.00 0.00 174.62 175.44 3ii4 s PHE 135 N -2.21 -0.50 -0.15 3.99 -0.12 -0.70 -2.43 117.98 115.86 3ii4 s PHE 135 Ca 0.40 0.84 0.17 0.00 -0.05 0.00 0.00 56.93 58.28 3ii4 s PHE 135 Cb -0.07 0.44 -0.08 0.00 -0.63 0.00 0.00 43.02 42.68 3ii4 s PHE 135 CO 0.27 -0.47 0.97 -0.44 -0.05 0.00 0.00 175.22 175.51 3ii4 h ASP 136 N 2.73 0.00 -4.88 1.98 3.32 -1.48 -3.43 116.42 114.66 3ii4 h ASP 136 Ca -0.22 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 3ii4 h ASP 136 Cb 1.16 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.49 3ii4 h ASP 136 CO 0.35 0.48 -0.56 0.20 -1.72 0.00 0.00 179.24 177.99 3ii4 s ASN 137 N -5.85 0.08 -0.01 6.45 0.01 -0.81 -4.80 114.94 110.00 3ii4 s ASN 137 Ca -0.01 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 51.89 3ii4 s ASN 137 Cb 0.09 0.18 0.01 0.00 0.41 0.00 0.00 41.25 41.93 3ii4 s ASN 137 CO 0.80 -0.32 -0.02 0.00 -1.51 0.00 0.00 177.10 176.04 3ii4 s ALA 138 N -1.29 0.29 -0.28 0.60 0.00 -0.34 -2.39 121.76 118.36 3ii4 s ALA 138 Ca -0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 3ii4 s ALA 138 Cb -0.08 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.94 3ii4 s ALA 138 CO 0.01 0.03 -0.03 0.42 0.00 0.00 0.00 175.76 176.18 3ii4 s ILE 139 N 0.25 2.88 -0.46 0.00 1.01 -0.42 -0.35 121.20 124.11 3ii4 s ILE 139 Ca -0.02 -1.28 -0.24 0.00 0.00 0.00 0.00 60.65 59.11 3ii4 s ILE 139 Cb -0.05 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.85 3ii4 s ILE 139 CO -0.01 0.01 0.82 -0.63 0.00 0.00 0.00 174.94 175.13 3ii4 s ILE 140 N 1.27 4.60 -0.42 2.92 1.01 0.10 -0.96 121.20 129.72 3ii4 s ILE 140 Ca -0.04 0.46 0.09 0.00 0.00 0.00 0.00 60.65 61.17 3ii4 s ILE 140 Cb -0.19 -4.36 0.41 0.00 0.01 0.00 0.00 42.46 38.33 3ii4 s ILE 140 CO -0.03 -0.77 0.99 0.00 0.00 0.00 0.00 174.94 175.14 3ii4 n ALA 141 N 6.85 4.19 1.07 9.38 0.00 0.00 -1.52 120.51 140.49 3ii4 n ALA 141 Ca 0.03 -3.95 0.11 0.00 0.00 0.00 0.00 53.44 49.63 3ii4 n ALA 141 Cb 0.48 -0.73 0.56 0.00 0.00 0.00 0.00 19.45 19.76 3ii4 n ALA 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ii4 n THR 142 N -0.24 0.28 -4.54 0.00 -2.24 -1.20 -4.34 114.28 102.00 3ii4 n THR 142 Ca 0.28 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 3ii4 n THR 142 Cb 0.66 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 3ii4 n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ii4 n GLY 143 N 0.56 -0.04 3.26 3.38 0.00 -1.26 -4.65 105.19 106.44 3ii4 n GLY 143 Ca 0.11 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 3ii4 n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ii4 s SER 144 N -4.00 0.73 0.10 1.61 1.04 -1.26 -0.84 113.70 111.09 3ii4 s SER 144 Ca 0.00 -1.38 0.06 0.00 0.48 0.00 0.00 55.95 55.12 3ii4 s SER 144 Cb 0.00 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 3ii4 s SER 144 CO 0.00 -0.77 -0.16 -0.44 0.98 0.00 0.00 173.24 172.85 3ii4 s SER 145 N -3.24 2.08 0.20 7.02 0.01 0.89 -4.78 113.70 115.88 3ii4 s SER 145 Ca 0.38 -0.72 -0.32 0.00 1.31 0.00 0.00 55.95 56.59 3ii4 s SER 145 Cb 0.07 -0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.11 3ii4 s SER 145 CO 0.12 -0.07 1.64 0.28 0.41 0.00 0.00 173.24 175.63 3ii4 s THR 146 N -1.63 2.30 -0.11 1.44 -1.32 -1.26 -0.05 115.64 115.00 3ii4 s THR 146 Ca 0.05 0.22 -0.23 0.00 -1.21 0.00 0.00 61.69 60.52 3ii4 s THR 146 Cb -0.08 -3.14 -0.03 0.00 -1.51 0.00 0.00 72.50 67.74 3ii4 s THR 146 CO 0.03 0.02 0.69 -0.60 -2.21 0.00 0.00 174.62 172.56 3ii4 s ARG 147 N 1.01 4.37 0.26 7.08 3.52 0.10 -4.76 118.95 130.53 3ii4 s ARG 147 Ca 0.72 0.83 -0.06 0.00 -0.13 0.00 0.00 55.73 57.09 3ii4 s ARG 147 Cb -0.47 -3.49 -0.06 0.00 -1.56 0.00 0.00 34.95 29.38 3ii4 s ARG 147 CO 0.33 -0.04 0.53 -0.51 -0.81 0.00 0.00 175.30 174.80 3ii4 s LEU 148 N 1.17 4.10 0.11 -0.88 1.43 -1.26 -4.36 118.68 118.99 3ii4 s LEU 148 Ca 0.35 0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 53.88 3ii4 s LEU 148 Cb -0.17 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.42 3ii4 s LEU 148 CO 0.15 -0.14 1.75 -0.69 0.23 0.00 0.00 176.35 177.66 3ii4 s VAL 149 N -1.99 2.69 -0.09 -1.59 1.01 -1.26 -4.84 120.40 114.34 3ii4 s VAL 149 Ca 0.44 0.21 -0.40 0.00 0.00 0.00 0.00 61.98 62.23 3ii4 s VAL 149 Cb -0.11 -3.14 -0.19 0.00 0.00 0.00 0.00 36.38 32.95 3ii4 s VAL 149 CO 0.28 0.00 1.30 -2.65 0.00 0.00 0.00 175.10 174.02 3ii4 n PRO 150 N 5.53 0.41 0.00 2.72 -0.02 -1.26 -0.87 135.00 141.51 3ii4 n PRO 150 Ca 0.17 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3ii4 n PRO 150 Cb 0.39 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3ii4 n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ii4 n GLY 151 N 2.46 2.83 3.93 -1.23 0.00 -1.26 -4.96 105.19 106.95 3ii4 n GLY 151 Ca 0.22 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3ii4 n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ii4 s THR 152 N -1.98 2.00 0.22 2.61 -4.23 -0.05 -5.00 115.64 109.21 3ii4 s THR 152 Ca 0.00 -0.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.32 3ii4 s THR 152 Cb 0.00 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 70.87 3ii4 s THR 152 CO 0.00 0.00 0.58 -0.94 -0.54 0.00 0.00 174.62 173.72 3ii4 s SER 153 N -4.82 -0.28 0.45 3.99 1.04 -1.26 -4.83 113.70 107.99 3ii4 s SER 153 Ca 0.71 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 56.46 3ii4 s SER 153 Cb -0.06 0.62 -0.09 0.00 0.10 0.00 0.00 66.02 66.60 3ii4 s SER 153 CO 0.52 -1.13 0.93 -0.76 0.98 0.00 0.00 173.24 173.78 3ii4 s LEU 154 N -2.89 3.80 0.00 2.42 1.43 -1.26 -4.85 118.68 117.33 3ii4 s LEU 154 Ca 0.10 1.54 -0.01 0.00 -1.03 0.00 0.00 54.13 54.73 3ii4 s LEU 154 Cb -0.02 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 41.77 3ii4 s LEU 154 CO -0.00 -0.45 0.06 -1.54 0.23 0.00 0.00 176.35 174.65 3ii4 n SER 155 N -1.08 -0.14 -0.36 2.29 3.41 -0.18 -4.95 113.62 112.60 3ii4 n SER 155 Ca 0.06 -1.09 0.04 0.00 -0.26 0.00 0.00 58.87 57.61 3ii4 n SER 155 Cb 0.54 0.24 0.19 0.00 -0.26 0.00 0.00 64.21 64.92 3ii4 n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ii4 h ALA 156 N 2.00 1.43 -0.01 7.33 0.00 -1.99 -3.05 119.26 124.98 3ii4 h ALA 156 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ii4 h ALA 156 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ii4 h ALA 156 CO 0.03 0.40 -0.34 0.09 0.00 0.00 0.00 179.25 179.43 3ii4 n ASN 157 N -4.52 1.44 -4.28 0.00 3.02 -1.26 -4.83 115.26 104.84 3ii4 n ASN 157 Ca 0.16 -1.22 -0.36 0.00 -0.03 0.00 0.00 54.58 53.13 3ii4 n ASN 157 Cb 0.22 0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 39.78 3ii4 n ASN 157 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ii4 s VAL 158 N -1.83 3.47 0.32 2.41 1.01 -1.15 -0.94 120.40 123.69 3ii4 s VAL 158 Ca 0.11 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.30 3ii4 s VAL 158 Cb 0.12 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3ii4 s VAL 158 CO 0.39 0.14 0.14 0.68 0.00 0.00 0.00 175.10 176.45 3ii4 s VAL 159 N 1.42 0.49 0.46 2.92 -7.23 -0.42 -1.01 120.40 117.04 3ii4 s VAL 159 Ca 0.02 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.27 3ii4 s VAL 159 Cb -0.17 -2.53 0.02 0.00 0.56 0.00 0.00 36.38 34.26 3ii4 s VAL 159 CO -0.01 0.00 0.54 0.42 -0.31 0.00 0.00 175.10 175.74 3ii4 s THR 160 N -3.52 2.57 0.44 5.32 -4.23 -1.26 0.07 115.64 115.04 3ii4 s THR 160 Ca 0.34 -1.16 0.20 0.00 -1.18 0.00 0.00 61.69 59.89 3ii4 s THR 160 Cb 0.05 -2.73 0.40 0.00 1.34 0.00 0.00 72.50 71.56 3ii4 s THR 160 CO 0.16 0.00 1.87 0.10 -0.54 0.00 0.00 174.62 176.22 3ii4 h TYR 161 N 0.68 0.42 0.70 3.99 -0.00 -1.98 -2.69 116.97 118.08 3ii4 h TYR 161 Ca -0.38 0.01 -0.03 0.00 0.00 0.00 0.00 58.73 58.33 3ii4 h TYR 161 Cb 1.28 -0.13 0.01 0.00 0.00 0.00 0.00 36.73 37.89 3ii4 h TYR 161 CO 0.50 0.11 -0.34 1.49 -0.00 0.00 0.00 178.16 179.92 3ii4 h GLU 162 N 0.32 -0.91 -0.40 0.10 4.81 -1.94 0.48 114.58 117.04 3ii4 h GLU 162 Ca 0.44 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.70 3ii4 h GLU 162 Cb 1.23 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 3ii4 h GLU 162 CO -0.14 -0.61 0.08 0.93 -0.73 0.00 0.00 179.01 178.54 3ii4 h GLU 163 N -0.95 0.60 -0.08 1.92 3.07 -1.88 -1.82 114.58 115.44 3ii4 h GLU 163 Ca -0.09 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.36 58.60 3ii4 h GLU 163 Cb 0.73 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3ii4 h GLU 163 CO 0.15 0.57 -0.19 0.37 -1.40 0.00 0.00 179.01 178.51 3ii4 h GLN 164 N 0.58 0.27 -0.01 2.33 5.75 -1.34 -2.96 115.11 119.74 3ii4 h GLN 164 Ca 0.13 -0.18 -0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3ii4 h GLN 164 Cb 0.26 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3ii4 h GLN 164 CO 0.00 0.78 -0.17 0.97 -2.65 0.00 0.00 178.83 177.77 3ii4 h ILE 165 N -0.20 1.12 -0.41 2.39 6.09 0.11 -1.70 117.51 124.92 3ii4 h ILE 165 Ca 0.00 -0.58 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 3ii4 h ILE 165 Cb 0.78 1.30 0.00 0.00 0.47 0.00 0.00 36.82 39.37 3ii4 h ILE 165 CO 0.04 0.17 0.00 0.18 -3.07 0.00 0.00 178.15 175.47 3ii4 n LEU 166 N -4.34 3.39 -4.51 2.19 4.77 -0.70 -4.85 117.00 112.96 3ii4 n LEU 166 Ca -0.02 -1.71 -0.42 0.00 -0.03 0.00 0.00 56.01 53.83 3ii4 n LEU 166 Cb 0.23 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 3ii4 n LEU 166 CO 0.36 0.55 0.03 -0.55 -1.33 0.00 0.00 177.39 176.45 3ii4 s SER 167 N -0.71 6.16 0.39 -1.43 0.15 -0.64 -4.94 113.70 112.69 3ii4 s SER 167 Ca 0.33 -0.50 0.21 0.00 0.70 0.00 0.00 55.95 56.70 3ii4 s SER 167 Cb 0.22 -2.20 0.64 0.00 -1.71 0.00 0.00 66.02 62.97 3ii4 s SER 167 CO 0.15 -0.43 1.70 -0.09 1.20 0.00 0.00 173.24 175.77 3ii4 h ARG 168 N 8.58 0.00 -5.87 5.44 2.43 -1.88 -3.43 114.38 119.65 3ii4 h ARG 168 Ca -0.28 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.21 3ii4 h ARG 168 Cb 1.13 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.56 3ii4 h ARG 168 CO 0.73 0.29 -0.57 -1.21 -1.51 0.00 0.00 179.97 177.70 3ii4 s GLU 169 N -3.43 3.15 -0.07 0.20 8.01 -1.26 -4.29 118.70 121.01 3ii4 s GLU 169 Ca 0.02 -0.33 -0.04 0.00 0.01 0.00 0.00 54.97 54.63 3ii4 s GLU 169 Cb 0.09 -2.94 -0.04 0.00 -4.31 0.00 0.00 34.13 26.94 3ii4 s GLU 169 CO 0.67 0.72 0.11 -0.51 0.01 0.00 0.00 175.26 176.26 3ii4 s LEU 170 N -1.07 4.13 0.88 1.80 1.43 -1.26 -5.11 118.68 119.48 3ii4 s LEU 170 Ca 0.15 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 3ii4 s LEU 170 Cb -0.12 -2.17 0.12 0.00 0.03 0.00 0.00 46.19 44.05 3ii4 s LEU 170 CO 0.05 0.35 1.13 -2.16 0.23 0.00 0.00 176.35 175.94 3ii4 s PRO 171 N -1.34 1.39 0.14 1.29 0.04 -1.26 -4.98 135.00 130.28 3ii4 s PRO 171 Ca 0.19 0.36 -0.07 0.00 0.04 0.00 0.00 61.00 61.52 3ii4 s PRO 171 Cb -0.12 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 3ii4 s PRO 171 CO 0.09 -2.04 1.35 -0.22 0.04 0.00 0.00 177.00 176.22 3ii4 h LYS 172 N -1.39 0.55 -4.11 4.56 3.64 -1.95 -3.44 116.57 114.44 3ii4 h LYS 172 Ca -0.50 -0.49 -0.14 0.00 -1.27 0.00 0.00 60.65 58.25 3ii4 h LYS 172 Cb 1.32 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 33.13 3ii4 h LYS 172 CO 0.62 1.12 -0.40 -1.54 -2.27 0.00 0.00 179.45 176.97 3ii4 s SER 173 N -7.07 0.07 -0.12 4.20 1.04 -1.26 -1.42 113.70 109.14 3ii4 s SER 173 Ca -0.07 -1.09 -0.30 0.00 0.48 0.00 0.00 55.95 54.96 3ii4 s SER 173 Cb 0.09 0.44 0.09 0.00 0.10 0.00 0.00 66.02 66.75 3ii4 s SER 173 CO 0.87 -0.93 0.81 -0.51 0.98 0.00 0.00 173.24 174.46 3ii4 s ILE 174 N -4.05 0.00 -0.17 -1.02 2.07 0.29 -3.41 121.20 114.91 3ii4 s ILE 174 Ca 0.26 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.52 3ii4 s ILE 174 Cb 0.04 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.64 3ii4 s ILE 174 CO 0.07 0.00 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.28 3ii4 s ILE 175 N -0.93 2.22 -0.19 2.00 1.01 -0.75 -2.13 121.20 122.42 3ii4 s ILE 175 Ca -0.06 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 3ii4 s ILE 175 Cb -0.01 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 3ii4 s ILE 175 CO 0.06 0.53 0.01 -0.63 0.00 0.00 0.00 174.94 174.91 3ii4 s ILE 176 N 1.08 4.11 -0.38 2.92 1.01 0.26 -0.88 121.20 129.32 3ii4 s ILE 176 Ca -0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.22 3ii4 s ILE 176 Cb -0.14 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.48 3ii4 s ILE 176 CO -0.07 0.44 0.40 0.00 0.00 0.00 0.00 174.94 175.71 3ii4 s ALA 177 N 0.81 3.46 0.00 9.38 0.00 -0.70 -0.56 121.76 134.15 3ii4 s ALA 177 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3ii4 s ALA 177 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3ii4 s ALA 177 CO 0.02 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.86 3ii4 n GLY 178 N 5.02 2.88 2.24 0.00 0.00 0.18 -1.73 105.19 113.79 3ii4 n GLY 178 Ca -0.08 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 3ii4 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii4 n ALA 179 N 0.88 6.04 -1.97 4.61 0.00 -1.26 -4.34 120.51 124.48 3ii4 n ALA 179 Ca 0.00 -3.44 -0.26 0.00 0.00 0.00 0.00 53.44 49.74 3ii4 n ALA 179 Cb 0.00 -1.53 0.14 0.00 0.00 0.00 0.00 19.45 18.06 3ii4 n ALA 179 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ii4 s GLY 180 N -2.00 1.77 0.19 0.00 0.00 -1.26 -0.10 107.32 105.92 3ii4 s GLY 180 Ca 0.62 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.66 3ii4 s GLY 180 CO 0.01 -0.85 1.64 0.00 0.00 0.00 0.00 173.10 173.90 3ii4 h ALA 181 N -1.03 0.29 -0.69 3.20 0.00 -1.96 0.26 119.26 119.33 3ii4 h ALA 181 Ca -0.40 0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.78 3ii4 h ALA 181 Cb 1.25 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 19.39 3ii4 h ALA 181 CO 0.39 -0.46 0.35 0.82 0.00 0.00 0.00 179.25 180.35 3ii4 h ILE 182 N -0.02 0.90 -0.25 0.00 2.04 -1.94 0.40 117.51 118.64 3ii4 h ILE 182 Ca 0.24 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.82 3ii4 h ILE 182 Cb 0.39 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3ii4 h ILE 182 CO -0.53 0.11 -0.11 1.23 0.00 0.00 0.00 178.15 178.86 3ii4 h GLY 183 N 0.63 0.56 1.25 5.37 0.00 -1.50 -2.81 103.07 106.58 3ii4 h GLY 183 Ca 0.33 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3ii4 h GLY 183 CO -0.23 0.45 0.18 -0.33 0.00 0.00 0.00 176.54 176.61 3ii4 h MET 184 N 0.25 0.94 -0.11 4.80 2.86 -0.57 -2.21 114.93 120.88 3ii4 h MET 184 Ca 0.06 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3ii4 h MET 184 Cb 0.61 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3ii4 h MET 184 CO 0.03 0.82 0.02 0.93 1.06 0.00 0.00 176.91 179.77 3ii4 h GLU 185 N 0.91 0.19 -0.63 1.72 5.08 -0.91 0.16 114.58 121.09 3ii4 h GLU 185 Ca 0.20 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3ii4 h GLU 185 Cb 0.28 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3ii4 h GLU 185 CO -0.01 0.39 0.42 0.74 -1.00 0.00 0.00 179.01 179.55 3ii4 h PHE 186 N -0.05 0.67 -0.22 4.33 -1.00 -1.41 -1.47 116.94 117.79 3ii4 h PHE 186 Ca 0.03 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 3ii4 h PHE 186 Cb 0.29 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.62 3ii4 h PHE 186 CO 0.02 0.37 0.07 0.78 -1.61 0.00 0.00 178.31 177.94 3ii4 h GLY 187 N 0.68 0.36 0.65 -1.45 0.00 -0.87 -0.74 103.07 101.70 3ii4 h GLY 187 Ca 0.27 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3ii4 h GLY 187 CO -0.08 0.20 -0.13 -1.82 0.00 0.00 0.00 176.54 174.71 3ii4 h TYR 188 N 0.19 -0.33 0.61 5.60 3.20 -0.03 -0.64 116.97 125.56 3ii4 h TYR 188 Ca 0.07 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 3ii4 h TYR 188 Cb 0.22 0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.65 3ii4 h TYR 188 CO -0.00 -0.19 -0.29 0.28 -1.64 0.00 0.00 178.16 176.32 3ii4 h VAL 189 N -0.21 0.00 -0.60 1.81 2.07 -1.24 -2.43 116.25 115.65 3ii4 h VAL 189 Ca 0.05 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.69 3ii4 h VAL 189 Cb 0.28 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.94 3ii4 h VAL 189 CO -0.14 0.00 -0.06 -0.07 0.02 0.00 0.00 177.57 177.32 3ii4 h LEU 190 N -0.82 -0.38 -0.72 2.57 4.07 -1.15 -1.14 115.31 117.73 3ii4 h LEU 190 Ca -0.08 0.16 0.03 0.00 0.08 0.00 0.00 57.88 58.06 3ii4 h LEU 190 Cb 0.62 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 42.63 3ii4 h LEU 190 CO 0.14 -0.15 0.46 0.50 -1.08 0.00 0.00 178.44 178.31 3ii4 h LYS 191 N 0.07 0.88 0.00 1.13 1.63 -1.14 -0.88 116.57 118.26 3ii4 h LYS 191 Ca 0.31 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 60.01 3ii4 h LYS 191 Cb 0.49 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 3ii4 h LYS 191 CO -0.56 0.58 -0.19 -0.91 -3.45 0.00 0.00 179.45 174.93 3ii4 h ASN 192 N 0.91 0.00 -0.31 4.20 2.35 -0.73 -1.63 115.58 120.37 3ii4 h ASN 192 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3ii4 h ASN 192 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3ii4 h ASN 192 CO -0.10 0.19 0.00 -1.22 -1.65 0.00 0.00 177.43 174.65 3ii4 n TYR 193 N -4.14 0.81 -0.60 1.19 4.02 -0.56 -4.87 117.16 113.01 3ii4 n TYR 193 Ca -0.02 -0.31 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 3ii4 n TYR 193 Cb 0.26 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 3ii4 n TYR 193 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ii4 n GLY 194 N 0.60 0.68 3.82 2.72 0.00 -0.61 -5.06 105.19 107.34 3ii4 n GLY 194 Ca 0.13 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3ii4 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii4 s VAL 195 N -2.00 4.81 0.04 1.61 1.01 -0.44 -4.96 120.40 120.46 3ii4 s VAL 195 Ca 0.00 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 3ii4 s VAL 195 Cb 0.00 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 3ii4 s VAL 195 CO 0.00 0.51 1.25 -1.81 0.00 0.00 0.00 175.10 175.06 3ii4 s ASP 196 N -1.20 7.01 -0.07 3.32 1.01 -0.51 -4.09 116.67 122.14 3ii4 s ASP 196 Ca 0.29 2.04 0.03 0.00 0.71 0.00 0.00 52.55 55.62 3ii4 s ASP 196 Cb -0.18 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.18 3ii4 s ASP 196 CO 0.18 -0.55 -0.14 -0.69 0.21 0.00 0.00 175.17 174.18 3ii4 s VAL 197 N 1.46 1.26 -0.08 -1.27 1.01 -1.26 -0.55 120.40 120.97 3ii4 s VAL 197 Ca 0.60 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3ii4 s VAL 197 Cb -0.30 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 34.96 3ii4 s VAL 197 CO 0.28 0.38 -0.07 -0.89 0.00 0.00 0.00 175.10 174.80 3ii4 s THR 198 N 0.62 0.85 -0.14 3.92 2.01 -0.91 -1.59 115.64 120.40 3ii4 s THR 198 Ca -0.15 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.61 3ii4 s THR 198 Cb -0.16 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.49 3ii4 s THR 198 CO 0.04 0.31 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.50 3ii4 s ILE 199 N 1.24 2.65 -0.13 1.82 1.01 0.13 -0.57 121.20 127.35 3ii4 s ILE 199 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3ii4 s ILE 199 Cb -0.14 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3ii4 s ILE 199 CO -0.02 0.53 -0.01 -0.69 0.00 0.00 0.00 174.94 174.74 3ii4 s VAL 200 N 0.61 4.16 -0.05 2.92 1.01 0.28 -0.29 120.40 129.03 3ii4 s VAL 200 Ca -0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3ii4 s VAL 200 Cb -0.16 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3ii4 s VAL 200 CO 0.03 0.53 -0.00 -0.70 0.00 0.00 0.00 175.10 174.96 3ii4 s GLU 201 N -0.15 0.52 0.14 2.72 2.56 -0.37 0.47 118.70 124.60 3ii4 s GLU 201 Ca 0.04 0.09 -0.17 0.00 0.00 0.00 0.00 54.97 54.93 3ii4 s GLU 201 Cb -0.13 -0.80 0.01 0.00 2.00 0.00 0.00 34.13 35.21 3ii4 s GLU 201 CO 0.02 -0.23 1.78 0.35 -0.56 0.00 0.00 175.26 176.62 3ii4 h PHE 202 N 7.91 0.32 -4.00 5.30 3.57 -1.82 -0.74 116.94 127.49 3ii4 h PHE 202 Ca -0.27 0.01 -0.49 0.00 3.53 0.00 0.00 57.97 60.75 3ii4 h PHE 202 Cb 1.13 -0.10 0.18 0.00 2.79 0.00 0.00 35.95 39.95 3ii4 h PHE 202 CO 0.49 0.18 0.19 -0.51 -2.23 0.00 0.00 178.31 176.43 3ii4 s LEU 203 N -10.22 2.27 0.58 0.59 1.43 -1.26 -3.04 118.68 109.03 3ii4 s LEU 203 Ca -0.13 1.83 0.36 0.00 -1.03 0.00 0.00 54.13 55.16 3ii4 s LEU 203 Cb 0.10 -4.15 1.65 0.00 0.03 0.00 0.00 46.19 43.83 3ii4 s LEU 203 CO 0.71 -3.12 2.09 -0.65 0.23 0.00 0.00 176.35 175.61 3ii4 h PRO 204 N -1.88 0.00 -4.93 1.29 0.11 -1.92 0.24 132.00 124.91 3ii4 h PRO 204 Ca -0.49 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.30 3ii4 h PRO 204 Cb 1.28 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 3ii4 h PRO 204 CO 0.48 0.02 -0.74 1.03 -0.21 0.00 0.00 178.00 178.58 3ii4 s ARG 205 N -3.83 0.78 0.58 1.05 0.52 -1.26 -4.49 118.95 112.30 3ii4 s ARG 205 Ca -0.01 -1.06 -0.16 0.00 -0.52 0.00 0.00 55.73 53.98 3ii4 s ARG 205 Cb 0.10 -0.52 -0.04 0.00 0.52 0.00 0.00 34.95 35.01 3ii4 s ARG 205 CO 0.51 0.09 1.05 0.00 0.02 0.00 0.00 175.30 176.97 3ii4 s ALA 206 N -2.12 2.78 -1.32 2.13 0.00 -1.26 -3.31 121.76 118.66 3ii4 s ALA 206 Ca 0.02 0.37 -0.18 0.00 0.00 0.00 0.00 51.96 52.16 3ii4 s ALA 206 Cb -0.05 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3ii4 s ALA 206 CO 0.00 -0.74 0.48 1.28 0.00 0.00 0.00 175.76 176.78 3ii4 n LEU 207 N -1.98 -1.14 0.34 0.00 4.77 0.86 -4.64 117.00 115.21 3ii4 n LEU 207 Ca 0.08 -1.21 0.18 0.00 -0.03 0.00 0.00 56.01 55.03 3ii4 n LEU 207 Cb 0.53 -1.83 0.95 0.00 -2.33 0.00 0.00 43.42 40.74 3ii4 n LEU 207 CO 0.47 0.61 1.14 1.55 -1.33 0.00 0.00 177.39 179.84 3ii4 h PRO 208 N -2.18 0.00 0.00 3.23 0.13 -1.78 -1.59 132.00 129.80 3ii4 h PRO 208 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3ii4 h PRO 208 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3ii4 h PRO 208 CO 0.58 0.00 -0.15 0.09 -0.23 0.00 0.00 178.00 178.29 3ii4 n ASN 209 N -2.94 0.53 -4.30 1.44 4.13 -1.26 -4.87 115.26 107.99 3ii4 n ASN 209 Ca -0.02 0.40 -0.27 0.00 1.68 0.00 0.00 54.58 56.37 3ii4 n ASN 209 Cb 0.28 -0.46 0.16 0.00 -1.54 0.00 0.00 39.78 38.23 3ii4 n ASN 209 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3ii4 s GLU 210 N -3.07 0.95 0.44 3.52 0.41 -0.60 -5.01 118.70 115.34 3ii4 s GLU 210 Ca 0.11 -0.78 -0.23 0.00 -0.41 0.00 0.00 54.97 53.66 3ii4 s GLU 210 Cb 0.15 -2.05 -0.08 0.00 -1.78 0.00 0.00 34.13 30.37 3ii4 s GLU 210 CO 0.61 -2.09 1.07 0.34 -0.49 0.00 0.00 175.26 174.70 3ii4 s ASP 211 N -4.86 6.49 0.27 -0.19 -1.08 -1.26 -4.88 116.67 111.14 3ii4 s ASP 211 Ca 0.72 2.06 -0.01 0.00 -0.52 0.00 0.00 52.55 54.81 3ii4 s ASP 211 Cb -0.04 -2.58 0.57 0.00 -1.46 0.00 0.00 42.92 39.41 3ii4 s ASP 211 CO 0.50 -0.68 1.73 0.00 0.52 0.00 0.00 175.17 177.23 3ii4 h ALA 212 N 2.09 1.24 -0.07 3.66 0.00 -1.94 -0.15 119.26 124.09 3ii4 h ALA 212 Ca -0.49 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3ii4 h ALA 212 Cb 1.22 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3ii4 h ALA 212 CO 0.61 -0.22 -0.04 -0.44 0.00 0.00 0.00 179.25 179.15 3ii4 h ASP 213 N 0.48 0.09 0.10 0.00 3.32 -2.01 -2.58 116.42 115.82 3ii4 h ASP 213 Ca 0.48 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 57.28 3ii4 h ASP 213 Cb 0.78 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.31 3ii4 h ASP 213 CO -0.44 0.16 -0.90 0.58 -1.72 0.00 0.00 179.24 176.92 3ii4 h VAL 214 N 0.10 1.33 -0.71 -1.35 2.07 -1.41 -2.87 116.25 113.41 3ii4 h VAL 214 Ca 0.02 -2.22 -0.06 0.00 0.82 0.00 0.00 66.70 65.27 3ii4 h VAL 214 Cb 0.15 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 3ii4 h VAL 214 CO 0.01 0.68 0.20 0.28 0.02 0.00 0.00 177.57 178.76 3ii4 h SER 215 N 0.37 1.04 -0.01 0.57 0.02 -1.07 -2.03 113.55 112.44 3ii4 h SER 215 Ca -0.08 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3ii4 h SER 215 Cb 1.53 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 3ii4 h SER 215 CO 0.17 0.98 0.00 0.50 -1.14 0.00 0.00 176.83 177.34 3ii4 h LYS 216 N 1.06 0.01 -0.14 3.45 3.64 -1.50 -1.58 116.57 121.51 3ii4 h LYS 216 Ca 0.23 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3ii4 h LYS 216 Cb 0.33 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3ii4 h LYS 216 CO -0.00 0.32 -0.02 1.49 -2.27 0.00 0.00 179.45 178.96 3ii4 h GLU 217 N -0.29 0.01 -0.80 1.90 4.57 -1.45 -0.86 114.58 117.65 3ii4 h GLU 217 Ca 0.00 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3ii4 h GLU 217 Cb 0.31 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 3ii4 h GLU 217 CO 0.00 0.01 0.48 0.97 -1.18 0.00 0.00 179.01 179.29 3ii4 h ILE 218 N 0.01 1.22 -0.15 2.32 6.09 -1.37 -0.40 117.51 125.23 3ii4 h ILE 218 Ca 0.06 -0.49 -0.08 0.00 -1.37 0.00 0.00 64.86 62.99 3ii4 h ILE 218 Cb 0.09 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 37.46 3ii4 h ILE 218 CO -0.13 0.23 -0.26 -0.33 -3.07 0.00 0.00 178.15 174.59 3ii4 h GLU 219 N 1.10 0.28 -0.28 2.19 5.08 -0.83 -0.59 114.58 121.54 3ii4 h GLU 219 Ca 0.29 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 3ii4 h GLU 219 Cb -0.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3ii4 h GLU 219 CO -0.05 0.53 -0.57 -0.22 -1.00 0.00 0.00 179.01 177.70 3ii4 h LYS 220 N 0.25 0.88 -0.11 2.33 3.64 -0.18 -2.11 116.57 121.28 3ii4 h LYS 220 Ca 0.04 -0.57 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 3ii4 h LYS 220 Cb 0.60 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3ii4 h LYS 220 CO 0.04 1.21 0.04 1.96 -2.27 0.00 0.00 179.45 180.43 3ii4 h GLN 221 N 0.67 0.16 -0.66 1.90 1.08 -0.64 -2.58 115.11 115.05 3ii4 h GLN 221 Ca 0.01 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 3ii4 h GLN 221 Cb 1.18 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 3ii4 h GLN 221 CO 0.13 0.27 0.14 0.74 -0.95 0.00 0.00 178.83 179.15 3ii4 h PHE 222 N 0.02 1.14 -0.99 2.96 -1.00 -1.14 -0.79 116.94 117.13 3ii4 h PHE 222 Ca 0.04 -0.14 0.04 0.00 2.81 0.00 0.00 57.97 60.71 3ii4 h PHE 222 Cb 0.17 -0.32 -0.06 0.00 3.61 0.00 0.00 35.95 39.35 3ii4 h PHE 222 CO -0.02 0.94 0.65 -0.22 -1.61 0.00 0.00 178.31 178.05 3ii4 h LYS 223 N 1.00 1.20 -0.49 1.51 3.64 -1.32 -0.77 116.57 121.34 3ii4 h LYS 223 Ca 0.21 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3ii4 h LYS 223 Cb 0.39 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3ii4 h LYS 223 CO 0.01 0.79 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.58 3ii4 h LYS 224 N 1.24 0.96 0.00 1.90 3.64 -1.11 -2.10 116.57 121.10 3ii4 h LYS 224 Ca 0.40 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ii4 h LYS 224 Cb 0.03 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3ii4 h LYS 224 CO -0.13 1.06 0.00 1.25 -2.27 0.00 0.00 179.45 179.36 3ii4 h LEU 225 N 0.84 0.00 0.00 5.20 5.85 0.21 -3.45 115.31 123.96 3ii4 h LEU 225 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ii4 h LEU 225 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3ii4 h LEU 225 CO 0.06 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.77 3ii4 n GLY 226 N -0.80 0.83 3.75 3.75 0.00 -0.59 -4.96 105.19 107.17 3ii4 n GLY 226 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3ii4 n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii4 s VAL 227 N -2.00 4.94 -0.30 1.61 1.01 -0.52 -4.77 120.40 120.37 3ii4 s VAL 227 Ca 0.00 1.29 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 3ii4 s VAL 227 Cb 0.00 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3ii4 s VAL 227 CO 0.00 0.38 0.45 -0.89 0.00 0.00 0.00 175.10 175.04 3ii4 s THR 228 N 0.05 5.09 -0.21 3.92 2.01 -0.62 -3.91 115.64 121.98 3ii4 s THR 228 Ca 0.32 0.50 -0.02 0.00 0.31 0.00 0.00 61.69 62.81 3ii4 s THR 228 Cb -0.18 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.50 3ii4 s THR 228 CO 0.17 -0.02 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.34 3ii4 s ILE 229 N 2.23 2.76 -0.41 1.82 1.01 -1.26 0.21 121.20 127.57 3ii4 s ILE 229 Ca 0.17 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 3ii4 s ILE 229 Cb -0.16 -2.24 0.06 0.00 0.01 0.00 0.00 42.46 40.14 3ii4 s ILE 229 CO 0.11 0.46 0.25 -0.76 0.00 0.00 0.00 174.94 175.00 3ii4 s LEU 230 N 1.38 5.03 0.41 2.97 1.43 0.60 -4.97 118.68 125.53 3ii4 s LEU 230 Ca 0.05 -1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 51.83 3ii4 s LEU 230 Cb -0.14 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 3ii4 s LEU 230 CO -0.08 -0.49 0.65 0.42 0.23 0.00 0.00 176.35 177.08 3ii4 s THR 231 N 1.49 4.93 -1.43 5.49 -4.23 -1.26 -1.23 115.64 119.40 3ii4 s THR 231 Ca 0.02 -0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.23 3ii4 s THR 231 Cb -0.22 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 69.83 3ii4 s THR 231 CO 0.04 -0.64 0.60 0.00 -0.54 0.00 0.00 174.62 174.07 3ii4 n ALA 232 N -1.99 -1.04 -3.47 3.99 0.00 0.85 -4.92 120.51 113.93 3ii4 n ALA 232 Ca -0.02 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.31 3ii4 n ALA 232 Cb 0.56 -3.49 -0.17 0.00 0.00 0.00 0.00 19.45 16.36 3ii4 n ALA 232 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ii4 s THR 233 N -3.08 1.82 -0.18 0.00 2.01 -0.86 -4.69 115.64 110.66 3ii4 s THR 233 Ca 0.38 -0.86 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 3ii4 s THR 233 Cb -0.18 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 3ii4 s THR 233 CO 0.46 0.50 0.29 -0.75 -0.69 0.00 0.00 174.62 174.43 3ii4 s LYS 234 N 0.66 4.22 -0.45 4.92 2.20 0.11 -2.94 119.74 128.45 3ii4 s LYS 234 Ca -0.12 0.05 -0.28 0.00 -0.36 0.00 0.00 55.97 55.26 3ii4 s LYS 234 Cb -0.16 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.72 3ii4 s LYS 234 CO 0.03 0.16 1.05 0.08 -0.36 0.00 0.00 175.35 176.31 3ii4 s VAL 235 N 0.70 4.35 -0.09 4.02 1.01 -1.26 -0.32 120.40 128.82 3ii4 s VAL 235 Ca 0.15 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 3ii4 s VAL 235 Cb -0.13 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.72 3ii4 s VAL 235 CO 0.04 -0.87 0.08 -0.33 0.00 0.00 0.00 175.10 174.02 3ii4 h GLU 236 N 9.02 -0.07 -4.59 2.72 4.39 -0.65 -3.49 114.58 121.92 3ii4 h GLU 236 Ca -0.23 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.24 3ii4 h GLU 236 Cb 1.07 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.58 3ii4 h GLU 236 CO 1.08 -0.04 -0.65 -1.54 -1.16 0.00 0.00 179.01 176.69 3ii4 s SER 237 N -5.34 0.73 -0.11 1.42 1.04 -1.16 -4.92 113.70 105.36 3ii4 s SER 237 Ca -0.01 -1.19 -0.02 0.00 0.48 0.00 0.00 55.95 55.22 3ii4 s SER 237 Cb 0.00 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.37 3ii4 s SER 237 CO 0.03 -0.65 -0.01 -0.63 0.98 0.00 0.00 173.24 172.96 3ii4 s ILE 238 N -3.87 0.56 -0.25 -1.02 1.01 -1.26 -1.66 121.20 114.72 3ii4 s ILE 238 Ca 0.24 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.74 3ii4 s ILE 238 Cb 0.07 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.80 3ii4 s ILE 238 CO 0.03 0.15 -0.11 0.00 0.00 0.00 0.00 174.94 175.01 3ii4 s ALA 239 N 1.88 2.57 -0.55 9.38 0.00 0.24 -4.83 121.76 130.44 3ii4 s ALA 239 Ca 0.03 -1.60 -0.21 0.00 0.00 0.00 0.00 51.96 50.19 3ii4 s ALA 239 Cb -0.14 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.49 3ii4 s ALA 239 CO -0.07 -0.96 0.76 0.34 0.00 0.00 0.00 175.76 175.83 3ii4 s ASP 240 N 1.20 6.23 -0.13 0.00 3.68 -1.26 0.75 116.67 127.13 3ii4 s ASP 240 Ca -0.04 -0.90 0.12 0.00 2.13 0.00 0.00 52.55 53.86 3ii4 s ASP 240 Cb -0.18 -2.34 0.57 0.00 -1.45 0.00 0.00 42.92 39.52 3ii4 s ASP 240 CO -0.06 -1.09 1.41 0.61 0.13 0.00 0.00 175.17 176.17 3ii4 n GLY 241 N 5.20 2.35 4.58 2.66 0.00 0.21 -4.98 105.19 115.21 3ii4 n GLY 241 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3ii4 n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ii4 n GLY 242 N 0.66 2.32 0.33 -0.02 0.00 -1.26 -4.32 105.19 102.90 3ii4 n GLY 242 Ca 0.20 -0.13 0.22 0.00 0.00 0.00 0.00 46.02 46.31 3ii4 n GLY 242 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ii4 h SER 243 N 0.00 0.00 -5.32 1.61 4.64 -1.96 -3.45 113.55 109.07 3ii4 h SER 243 Ca 0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 3ii4 h SER 243 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 3ii4 h SER 243 CO 0.00 0.00 0.59 0.00 -0.87 0.00 0.00 176.83 176.55 3ii4 s GLN 244 N -4.08 0.90 -0.06 4.77 1.03 -1.26 -4.86 119.66 116.10 3ii4 s GLN 244 Ca -0.04 -0.48 0.05 0.00 0.04 0.00 0.00 55.36 54.94 3ii4 s GLN 244 Cb 0.12 0.32 -0.01 0.00 0.03 0.00 0.00 33.01 33.48 3ii4 s GLN 244 CO 0.43 -0.41 -0.24 0.08 -2.54 0.00 0.00 175.29 172.61 3ii4 s VAL 245 N -3.00 1.96 -0.22 3.63 1.01 0.60 -0.62 120.40 123.76 3ii4 s VAL 245 Ca 0.12 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 3ii4 s VAL 245 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3ii4 s VAL 245 CO -0.01 0.54 0.02 -0.89 0.00 0.00 0.00 175.10 174.76 3ii4 s THR 246 N -0.04 4.01 -0.13 3.92 2.01 0.23 -2.06 115.64 123.58 3ii4 s THR 246 Ca -0.06 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3ii4 s THR 246 Cb -0.14 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.54 3ii4 s THR 246 CO 0.04 0.40 -0.22 0.54 -0.69 0.00 0.00 174.62 174.70 3ii4 s VAL 247 N 1.22 2.10 -0.15 3.82 0.11 0.15 0.79 120.40 128.43 3ii4 s VAL 247 Ca 0.04 -0.98 -0.11 0.00 -2.93 0.00 0.00 61.98 58.00 3ii4 s VAL 247 Cb -0.15 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 3ii4 s VAL 247 CO 0.02 0.55 0.20 -0.89 -3.33 0.00 0.00 175.10 171.65 3ii4 s THR 248 N 0.67 5.38 0.08 5.04 2.01 -0.66 -0.32 115.64 127.83 3ii4 s THR 248 Ca -0.10 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.29 3ii4 s THR 248 Cb -0.16 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3ii4 s THR 248 CO 0.01 0.48 -0.13 0.68 -0.69 0.00 0.00 174.62 174.97 3ii4 s VAL 249 N -0.07 1.07 0.11 3.82 -7.23 -0.92 0.15 120.40 117.33 3ii4 s VAL 249 Ca 0.13 -1.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.02 3ii4 s VAL 249 Cb -0.12 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 3ii4 s VAL 249 CO 0.02 -0.28 -0.18 0.42 -0.31 0.00 0.00 175.10 174.77 3ii4 s THR 250 N -1.46 1.54 -0.30 5.32 -4.23 0.57 -2.24 115.64 114.83 3ii4 s THR 250 Ca -0.01 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 58.84 3ii4 s THR 250 Cb -0.09 -1.51 0.16 0.00 1.34 0.00 0.00 72.50 72.41 3ii4 s THR 250 CO 0.02 -0.21 0.64 -0.75 -0.54 0.00 0.00 174.62 173.78 3ii4 s LYS 251 N -2.19 0.56 -1.09 3.99 2.20 -1.05 -0.71 119.74 121.44 3ii4 s LYS 251 Ca 0.07 1.19 -0.07 0.00 -0.36 0.00 0.00 55.97 56.80 3ii4 s LYS 251 Cb -0.08 0.69 -0.05 0.00 -1.51 0.00 0.00 37.83 36.88 3ii4 s LYS 251 CO 0.04 -0.41 0.91 -0.25 -0.36 0.00 0.00 175.35 175.28 3ii4 n ASP 252 N 5.43 -5.60 0.00 1.43 10.43 -1.26 -2.48 116.55 124.49 3ii4 n ASP 252 Ca -0.06 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.56 3ii4 n ASP 252 Cb 0.50 -4.93 0.00 0.00 1.84 0.00 0.00 41.12 38.53 3ii4 n ASP 252 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ii4 n GLY 253 N -1.29 0.00 3.19 0.44 0.00 -1.26 -4.91 105.19 101.37 3ii4 n GLY 253 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3ii4 n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii4 s VAL 254 N -0.67 2.69 0.13 1.61 1.01 -1.04 -5.11 120.40 119.02 3ii4 s VAL 254 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3ii4 s VAL 254 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3ii4 s VAL 254 CO 0.00 0.34 0.28 0.00 0.00 0.00 0.00 175.10 175.73 3ii4 s ALA 255 N 1.34 3.95 -0.03 5.51 0.00 -1.26 -2.55 121.76 128.72 3ii4 s ALA 255 Ca 0.02 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 3ii4 s ALA 255 Cb -0.15 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.15 3ii4 s ALA 255 CO -0.07 0.60 0.32 1.14 0.00 0.00 0.00 175.76 177.76 3ii4 s GLN 256 N -3.03 0.63 -0.21 0.00 -2.07 -0.95 -5.03 119.66 109.00 3ii4 s GLN 256 Ca 0.35 -0.08 -0.07 0.00 -1.82 0.00 0.00 55.36 53.74 3ii4 s GLN 256 Cb -0.12 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 3ii4 s GLN 256 CO 0.28 -0.17 0.07 -1.21 -1.32 0.00 0.00 175.29 172.94 3ii4 s GLU 257 N -1.10 3.82 0.02 9.60 2.02 -1.26 -2.16 118.70 129.64 3ii4 s GLU 257 Ca -0.11 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 3ii4 s GLU 257 Cb -0.05 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3ii4 s GLU 257 CO 0.04 0.05 0.18 -0.51 0.02 0.00 0.00 175.26 175.04 3ii4 s LEU 258 N 0.97 4.29 0.01 1.80 1.43 0.56 -4.94 118.68 122.80 3ii4 s LEU 258 Ca 0.04 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 3ii4 s LEU 258 Cb -0.14 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 3ii4 s LEU 258 CO 0.03 0.23 -0.04 -0.54 0.23 0.00 0.00 176.35 176.26 3ii4 s LYS 259 N -2.13 0.33 0.20 1.70 1.02 -1.26 -0.67 119.74 118.93 3ii4 s LYS 259 Ca 0.29 -0.30 -0.23 0.00 0.02 0.00 0.00 55.97 55.75 3ii4 s LYS 259 Cb -0.13 -0.23 0.05 0.00 -0.52 0.00 0.00 37.83 37.00 3ii4 s LYS 259 CO 0.21 0.06 0.86 0.00 -0.92 0.00 0.00 175.35 175.56 3ii4 s ALA 260 N -0.48 -1.49 0.23 5.17 0.00 -0.87 -4.94 121.76 119.37 3ii4 s ALA 260 Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 3ii4 s ALA 260 Cb -0.04 0.72 0.22 0.00 0.00 0.00 0.00 23.12 24.02 3ii4 s ALA 260 CO -0.00 -1.03 1.70 1.49 0.00 0.00 0.00 175.76 177.93 3ii4 h GLU 261 N 2.00 0.91 -4.19 0.00 4.81 -1.88 0.17 114.58 116.40 3ii4 h GLU 261 Ca -0.22 -0.27 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 3ii4 h GLU 261 Cb 1.24 -0.09 -0.14 0.00 0.63 0.00 0.00 28.75 30.39 3ii4 h GLU 261 CO 0.25 0.91 -0.53 0.15 -0.73 0.00 0.00 179.01 179.06 3ii4 s LYS 262 N -4.97 0.95 -0.05 1.92 -0.14 -1.22 -4.51 119.74 111.72 3ii4 s LYS 262 Ca -0.10 -1.29 -0.02 0.00 -1.36 0.00 0.00 55.97 53.19 3ii4 s LYS 262 Cb 0.14 0.29 0.04 0.00 -1.68 0.00 0.00 37.83 36.61 3ii4 s LYS 262 CO 0.83 -0.29 0.10 0.54 -0.76 0.00 0.00 175.35 175.77 3ii4 s VAL 263 N -3.99 -0.10 -0.20 3.17 0.11 -0.12 -1.82 120.40 117.46 3ii4 s VAL 263 Ca 0.18 0.26 -0.13 0.00 -2.93 0.00 0.00 61.98 59.37 3ii4 s VAL 263 Cb 0.06 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.68 3ii4 s VAL 263 CO -0.01 0.11 0.25 -0.22 -3.33 0.00 0.00 175.10 171.89 3ii4 s LEU 264 N 1.50 4.19 -0.38 2.54 2.96 -0.06 -1.30 118.68 128.13 3ii4 s LEU 264 Ca -0.05 0.36 -0.22 0.00 -0.22 0.00 0.00 54.13 54.00 3ii4 s LEU 264 Cb -0.12 -2.28 0.01 0.00 0.50 0.00 0.00 46.19 44.30 3ii4 s LEU 264 CO -0.05 0.07 0.72 -1.10 -1.32 0.00 0.00 176.35 174.68 3ii4 s GLN 265 N 0.75 3.65 -0.36 1.98 -1.52 0.11 -1.72 119.66 122.55 3ii4 s GLN 265 Ca 0.13 0.12 0.13 0.00 -1.95 0.00 0.00 55.36 53.79 3ii4 s GLN 265 Cb -0.13 -3.84 0.42 0.00 -0.22 0.00 0.00 33.01 29.24 3ii4 s GLN 265 CO 0.04 -0.86 1.20 0.00 -0.25 0.00 0.00 175.29 175.42 3ii4 n ALA 266 N 6.31 2.16 1.02 6.09 0.00 -0.70 -4.38 120.51 131.01 3ii4 n ALA 266 Ca 0.01 -2.02 0.12 0.00 0.00 0.00 0.00 53.44 51.56 3ii4 n ALA 266 Cb 0.48 -0.97 0.25 0.00 0.00 0.00 0.00 19.45 19.21 3ii4 n ALA 266 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ii4 n ILE 267 N -0.43 0.00 0.00 0.00 -5.35 -1.06 -4.27 119.36 108.25 3ii4 n ILE 267 Ca 0.01 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3ii4 n ILE 267 Cb 0.84 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 3ii4 n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ii4 n GLY 268 N 1.48 0.04 2.68 3.28 0.00 -1.26 -4.99 105.19 106.42 3ii4 n GLY 268 Ca 0.06 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 3ii4 n GLY 268 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ii4 s PHE 269 N -2.00 0.22 0.02 1.61 0.40 -1.26 -0.72 117.98 116.25 3ii4 s PHE 269 Ca 0.00 0.07 -0.20 0.00 -0.60 0.00 0.00 56.93 56.19 3ii4 s PHE 269 Cb 0.00 -0.59 -0.06 0.00 0.51 0.00 0.00 43.02 42.89 3ii4 s PHE 269 CO 0.00 -0.27 0.60 0.00 0.70 0.00 0.00 175.22 176.24 3ii4 s ALA 270 N 2.12 3.51 0.30 5.36 0.00 0.92 -4.77 121.76 129.20 3ii4 s ALA 270 Ca 0.04 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 3ii4 s ALA 270 Cb -0.13 -2.72 -0.12 0.00 0.00 0.00 0.00 23.12 20.15 3ii4 s ALA 270 CO -0.04 0.23 1.50 -2.30 0.00 0.00 0.00 175.76 175.14 3ii4 n PRO 271 N 2.43 2.46 -2.21 0.00 -0.02 -1.26 -0.07 135.00 136.33 3ii4 n PRO 271 Ca -0.08 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 61.88 3ii4 n PRO 271 Cb 0.51 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3ii4 n PRO 271 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3ii4 s ASN 272 N 0.25 5.57 0.00 2.55 0.02 -0.02 -4.74 114.94 118.58 3ii4 s ASN 272 Ca 0.62 0.10 0.00 0.00 -1.02 0.00 0.00 52.86 52.56 3ii4 s ASN 272 Cb -0.54 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.19 3ii4 s ASN 272 CO 0.53 -2.19 0.14 1.33 0.02 0.00 0.00 177.10 176.93 3ii4 n VAL 273 N 6.95 0.00 -4.50 1.60 0.24 -1.26 -4.80 118.33 116.55 3ii4 n VAL 273 Ca 0.15 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.34 61.68 3ii4 n VAL 273 Cb 0.51 1.01 -0.13 0.00 -1.47 0.00 0.00 33.84 33.77 3ii4 n VAL 273 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3ii4 s GLU 274 N -0.68 1.67 0.00 7.34 -1.05 -1.26 -4.71 118.70 120.01 3ii4 s GLU 274 Ca 0.00 -1.21 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 3ii4 s GLU 274 Cb 0.00 -2.01 0.00 0.00 -0.44 0.00 0.00 34.13 31.68 3ii4 s GLU 274 CO 0.00 0.48 0.00 0.41 0.95 0.00 0.00 175.26 177.10 3ii4 n GLY 275 N 1.13 0.64 1.35 -3.83 0.00 -1.26 -4.97 105.19 98.25 3ii4 n GLY 275 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 3ii4 n GLY 275 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3ii4 n TYR 276 N -1.35 0.00 -3.39 1.61 0.18 -1.26 -4.97 117.16 107.97 3ii4 n TYR 276 Ca 0.00 -0.64 -0.18 0.00 1.88 0.00 0.00 57.90 58.96 3ii4 n TYR 276 Cb 0.00 -0.16 0.08 0.00 -0.38 0.00 0.00 39.34 38.88 3ii4 n TYR 276 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3ii4 n GLY 277 N 0.25 -0.35 0.19 -7.48 0.00 -1.26 -0.62 105.19 95.92 3ii4 n GLY 277 Ca 0.08 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3ii4 n GLY 277 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ii4 h LEU 278 N -2.00 0.05 -0.98 0.99 3.38 -1.87 -2.91 115.31 111.97 3ii4 h LEU 278 Ca -0.55 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 3ii4 h LEU 278 Cb 1.33 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 3ii4 h LEU 278 CO 0.48 0.44 0.05 -2.24 0.09 0.00 0.00 178.44 177.27 3ii4 h ASP 279 N 0.05 0.74 1.09 -0.43 2.03 -1.91 -1.30 116.42 116.68 3ii4 h ASP 279 Ca 0.00 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 3ii4 h ASP 279 Cb 0.72 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.02 3ii4 h ASP 279 CO 0.05 0.78 0.00 0.11 -1.03 0.00 0.00 179.24 179.15 3ii4 h LYS 280 N 0.74 0.00 0.00 4.15 1.57 -1.81 -2.20 116.57 119.02 3ii4 h LYS 280 Ca 0.15 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3ii4 h LYS 280 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3ii4 h LYS 280 CO 0.01 0.00 -1.25 0.00 -0.57 0.00 0.00 179.45 177.64 3ii4 n ALA 281 N -1.95 2.40 -0.76 3.86 0.00 -0.88 -3.93 120.51 119.26 3ii4 n ALA 281 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3ii4 n ALA 281 Cb 0.32 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3ii4 n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ii4 n GLY 282 N 1.25 0.61 3.62 0.00 0.00 -0.56 -4.60 105.19 105.52 3ii4 n GLY 282 Ca -0.03 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 3ii4 n GLY 282 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ii4 s VAL 283 N -2.00 4.63 0.51 1.61 1.01 -0.80 -4.73 120.40 120.62 3ii4 s VAL 283 Ca 0.00 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.16 3ii4 s VAL 283 Cb 0.00 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 3ii4 s VAL 283 CO 0.00 -0.44 0.96 0.00 0.00 0.00 0.00 175.10 175.62 3ii4 s ALA 284 N 3.37 3.11 0.30 5.51 0.00 -1.26 -4.65 121.76 128.13 3ii4 s ALA 284 Ca 0.38 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.54 3ii4 s ALA 284 Cb -0.13 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 3ii4 s ALA 284 CO 0.16 -0.24 0.05 -0.51 0.00 0.00 0.00 175.76 175.22 3ii4 s LEU 285 N -4.13 3.22 0.85 0.00 1.43 -1.26 -3.13 118.68 115.66 3ii4 s LEU 285 Ca 0.57 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 3ii4 s LEU 285 Cb -0.10 -1.72 0.17 0.00 0.03 0.00 0.00 46.19 44.57 3ii4 s LEU 285 CO 0.33 -0.12 1.17 0.42 0.23 0.00 0.00 176.35 178.37 3ii4 s THR 286 N -2.37 2.06 0.33 5.49 -4.23 0.13 -4.73 115.64 112.32 3ii4 s THR 286 Ca 0.34 -0.29 0.30 0.00 -1.18 0.00 0.00 61.69 60.86 3ii4 s THR 286 Cb -0.05 -2.77 0.32 0.00 1.34 0.00 0.00 72.50 71.34 3ii4 s THR 286 CO 0.21 0.00 2.05 0.44 -0.54 0.00 0.00 174.62 176.78 3ii4 h ASP 287 N -1.11 0.00 -0.33 3.99 3.32 -2.01 -1.58 116.42 118.70 3ii4 h ASP 287 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3ii4 h ASP 287 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3ii4 h ASP 287 CO 0.39 0.10 0.00 0.54 -1.72 0.00 0.00 179.24 178.55 3ii4 n ARG 288 N -3.42 2.49 -3.67 3.56 1.74 -1.26 -4.90 116.66 111.20 3ii4 n ARG 288 Ca -0.01 -1.48 -0.25 0.00 -0.77 0.00 0.00 57.85 55.34 3ii4 n ARG 288 Cb 0.27 -1.63 0.06 0.00 -1.02 0.00 0.00 32.46 30.14 3ii4 n ARG 288 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ii4 n LYS 289 N 0.44 -7.03 -4.36 5.56 4.76 -0.59 -4.92 118.16 112.01 3ii4 n LYS 289 Ca 0.13 0.76 -0.28 0.00 -2.87 0.00 0.00 58.31 56.05 3ii4 n LYS 289 Cb 0.55 -5.74 -0.12 0.00 -1.84 0.00 0.00 35.03 27.88 3ii4 n LYS 289 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ii4 s ALA 290 N -3.34 2.55 -0.29 7.82 0.00 -1.26 -4.56 121.76 122.69 3ii4 s ALA 290 Ca 0.52 -1.48 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 3ii4 s ALA 290 Cb -0.24 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 3ii4 s ALA 290 CO 0.76 0.52 1.75 0.42 0.00 0.00 0.00 175.76 179.21 3ii4 s ILE 291 N -1.28 3.53 0.39 0.00 1.01 -1.01 0.18 121.20 124.02 3ii4 s ILE 291 Ca 0.18 0.56 -0.27 0.00 0.00 0.00 0.00 60.65 61.12 3ii4 s ILE 291 Cb -0.10 -3.65 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 3ii4 s ILE 291 CO 0.09 -0.37 1.33 0.61 0.00 0.00 0.00 174.94 176.60 3ii4 n GLY 292 N 5.17 0.71 3.26 6.18 0.00 -1.18 -4.60 105.19 114.74 3ii4 n GLY 292 Ca 0.22 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 3ii4 n GLY 292 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ii4 s VAL 293 N -1.15 0.08 0.04 1.61 0.11 -1.26 -4.40 120.40 115.44 3ii4 s VAL 293 Ca 0.58 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 3ii4 s VAL 293 Cb -0.52 -0.96 0.01 0.00 -1.53 0.00 0.00 36.38 33.38 3ii4 s VAL 293 CO 0.61 -0.37 0.06 -0.90 -3.33 0.00 0.00 175.10 171.17 3ii4 n ASP 294 N 0.52 0.15 0.31 3.54 3.85 -0.59 -4.93 116.55 119.40 3ii4 n ASP 294 Ca -0.18 -1.11 0.20 0.00 -0.71 0.00 0.00 54.79 52.99 3ii4 n ASP 294 Cb 0.60 -0.03 1.02 0.00 -1.35 0.00 0.00 41.12 41.35 3ii4 n ASP 294 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3ii4 h ASP 295 N 0.00 0.00 -0.45 -1.12 3.45 -1.99 -1.88 116.42 114.42 3ii4 h ASP 295 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3ii4 h ASP 295 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3ii4 h ASP 295 CO 0.03 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.48 3ii4 n TYR 296 N -3.01 1.26 -1.24 4.55 4.02 -1.26 -4.53 117.16 116.95 3ii4 n TYR 296 Ca -0.02 -0.71 -0.08 0.00 -0.01 0.00 0.00 57.90 57.08 3ii4 n TYR 296 Cb 0.14 -0.29 -0.04 0.00 -0.02 0.00 0.00 39.34 39.13 3ii4 n TYR 296 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 3ii4 n MET 297 N 0.37 -0.94 -2.93 -0.72 2.81 -0.71 -4.39 117.12 110.60 3ii4 n MET 297 Ca 0.22 0.72 -0.39 0.00 -1.81 0.00 0.00 57.70 56.45 3ii4 n MET 297 Cb 0.88 -4.69 -0.06 0.00 -0.71 0.00 0.00 33.22 28.64 3ii4 n MET 297 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3ii4 s ARG 298 N -2.43 4.61 0.00 0.03 0.52 -1.26 -0.79 118.95 119.63 3ii4 s ARG 298 Ca 0.00 1.21 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 3ii4 s ARG 298 Cb 0.00 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.24 3ii4 s ARG 298 CO 0.00 0.54 0.00 0.25 0.02 0.00 0.00 175.30 176.11 3ii4 n THR 299 N 1.48 0.00 1.93 0.02 -2.24 -0.04 -1.55 114.28 113.88 3ii4 n THR 299 Ca -0.04 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.89 3ii4 n THR 299 Cb 0.49 -1.78 0.92 0.00 -2.10 0.00 0.00 70.33 67.86 3ii4 n THR 299 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3ii4 n ASN 300 N -0.40 0.00 -4.06 3.42 6.94 -1.26 -4.40 115.26 115.49 3ii4 n ASN 300 Ca 0.00 -0.93 -0.34 0.00 -0.02 0.00 0.00 54.58 53.29 3ii4 n ASN 300 Cb 0.00 -0.02 -0.13 0.00 -2.36 0.00 0.00 39.78 37.28 3ii4 n ASN 300 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ii4 s VAL 301 N -2.03 2.90 0.00 3.53 1.01 -1.26 -5.02 120.40 119.53 3ii4 s VAL 301 Ca 0.46 -2.43 0.00 0.00 0.00 0.00 0.00 61.98 60.01 3ii4 s VAL 301 Cb 0.21 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3ii4 s VAL 301 CO 0.37 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.38 3ii4 n GLY 302 N 4.15 0.00 0.52 4.51 0.00 -1.26 0.95 105.19 114.06 3ii4 n GLY 302 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.18 3ii4 n GLY 302 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ii4 n HIS 303 N -3.92 0.00 -4.07 1.61 1.44 -1.26 -4.84 115.22 104.18 3ii4 n HIS 303 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 3ii4 n HIS 303 Cb 0.00 -0.00 -0.13 0.00 0.12 0.00 0.00 29.99 29.98 3ii4 n HIS 303 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3ii4 s ILE 304 N -2.01 3.78 0.25 0.61 1.01 0.27 -1.19 121.20 123.91 3ii4 s ILE 304 Ca 0.37 -0.37 0.09 0.00 0.00 0.00 0.00 60.65 60.73 3ii4 s ILE 304 Cb 0.21 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3ii4 s ILE 304 CO 0.33 0.43 0.04 -0.31 0.00 0.00 0.00 174.94 175.43 3ii4 s TYR 305 N 1.08 2.81 -0.08 3.97 1.51 0.53 -0.86 117.35 126.31 3ii4 s TYR 305 Ca 0.02 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3ii4 s TYR 305 Cb -0.14 -1.27 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 3ii4 s TYR 305 CO 0.01 0.58 -0.07 0.00 -1.11 0.00 0.00 175.55 174.97 3ii4 s ALA 306 N -2.17 1.07 0.09 3.71 0.00 0.03 0.02 121.76 124.51 3ii4 s ALA 306 Ca 0.31 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.94 3ii4 s ALA 306 Cb -0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3ii4 s ALA 306 CO 0.21 -0.23 -0.06 0.96 0.00 0.00 0.00 175.76 176.64 3ii4 s ILE 307 N 1.37 0.65 0.00 0.00 -4.36 -0.57 -4.78 121.20 113.50 3ii4 s ILE 307 Ca -0.03 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 3ii4 s ILE 307 Cb -0.14 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.95 3ii4 s ILE 307 CO -0.03 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 174.89 3ii4 n GLY 308 N 0.03 -1.70 0.29 6.27 0.00 -1.26 -4.15 105.19 104.67 3ii4 n GLY 308 Ca -0.13 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.45 3ii4 n GLY 308 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ii4 h ASP 309 N 0.00 0.00 -0.11 1.61 3.45 -1.87 -2.56 116.42 116.94 3ii4 h ASP 309 Ca 0.00 0.00 0.03 0.00 0.43 0.00 0.00 57.03 57.49 3ii4 h ASP 309 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3ii4 h ASP 309 CO 0.00 0.00 0.22 1.62 -1.57 0.00 0.00 179.24 179.51 3ii4 h VAL 310 N 0.00 0.23 -0.01 -1.35 3.04 -1.71 0.34 116.25 116.78 3ii4 h VAL 310 Ca 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 3ii4 h VAL 310 Cb 0.11 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 3ii4 h VAL 310 CO -0.00 0.00 -0.43 -0.46 -1.01 0.00 0.00 177.57 175.67 3ii4 n ASN 311 N -3.38 1.80 -1.94 3.17 2.04 -0.96 -2.40 115.26 113.58 3ii4 n ASN 311 Ca 0.00 -1.37 -0.13 0.00 -0.44 0.00 0.00 54.58 52.64 3ii4 n ASN 311 Cb 0.31 0.40 -0.03 0.00 -2.53 0.00 0.00 39.78 37.94 3ii4 n ASN 311 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ii4 n GLY 312 N 1.40 0.32 0.09 4.83 0.00 0.12 -4.65 105.19 107.31 3ii4 n GLY 312 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3ii4 n GLY 312 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ii4 h LEU 313 N 0.00 -0.08 -6.19 0.99 3.38 -1.83 -3.43 115.31 108.15 3ii4 h LEU 313 Ca -0.29 -0.55 -0.18 0.00 0.09 0.00 0.00 57.88 56.95 3ii4 h LEU 313 Cb 1.06 0.02 -0.26 0.00 0.09 0.00 0.00 40.66 41.57 3ii4 h LEU 313 CO 0.38 0.59 -0.54 -0.22 0.09 0.00 0.00 178.44 178.75 3ii4 s LEU 314 N -8.79 -0.90 -0.74 1.67 0.20 -1.26 -5.01 118.68 103.85 3ii4 s LEU 314 Ca -0.14 -0.78 -0.23 0.00 0.69 0.00 0.00 54.13 53.66 3ii4 s LEU 314 Cb -0.00 1.31 -0.17 0.00 -0.43 0.00 0.00 46.19 46.89 3ii4 s LEU 314 CO 0.56 -0.27 1.89 0.00 -0.29 0.00 0.00 176.35 178.24 3ii4 n GLN 315 N 4.76 1.35 -4.12 1.98 6.02 -1.26 -4.67 117.38 121.45 3ii4 n GLN 315 Ca 0.07 -1.83 -0.12 0.00 -0.01 0.00 0.00 57.00 55.11 3ii4 n GLN 315 Cb 0.51 -2.97 -0.11 0.00 1.02 0.00 0.00 30.24 28.69 3ii4 n GLN 315 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ii4 s LEU 316 N 2.27 2.37 0.05 1.08 1.02 -1.26 -5.00 118.68 119.20 3ii4 s LEU 316 Ca 0.60 -0.76 -0.24 0.00 0.02 0.00 0.00 54.13 53.75 3ii4 s LEU 316 Cb 0.13 -0.15 -0.17 0.00 0.02 0.00 0.00 46.19 46.02 3ii4 s LEU 316 CO 0.14 -0.31 1.55 0.00 0.02 0.00 0.00 176.35 177.76 3ii4 h ALA 317 N 3.80 -0.04 -0.24 4.21 0.00 -2.00 -2.16 119.26 122.83 3ii4 h ALA 317 Ca -0.36 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ii4 h ALA 317 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3ii4 h ALA 317 CO 0.51 -0.43 0.14 1.12 0.00 0.00 0.00 179.25 180.59 3ii4 h HIS 318 N -0.22 0.30 -0.15 0.00 2.07 -1.98 -0.94 115.15 114.23 3ii4 h HIS 318 Ca -0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 3ii4 h HIS 318 Cb 0.21 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 30.08 3ii4 h HIS 318 CO -0.01 0.21 -0.08 0.28 -3.07 0.00 0.00 177.93 175.25 3ii4 h VAL 319 N 0.33 1.32 -0.18 6.12 2.07 -1.83 -0.80 116.25 123.28 3ii4 h VAL 319 Ca 0.09 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3ii4 h VAL 319 Cb -0.01 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 3ii4 h VAL 319 CO -0.02 0.33 -0.19 0.00 0.02 0.00 0.00 177.57 177.71 3ii4 h ALA 320 N 0.66 -0.09 -0.03 1.67 0.00 -0.70 0.13 119.26 120.89 3ii4 h ALA 320 Ca 0.03 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ii4 h ALA 320 Cb 0.56 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3ii4 h ALA 320 CO 0.02 -0.63 -0.27 0.93 0.00 0.00 0.00 179.25 179.30 3ii4 h GLU 321 N -0.22 -0.38 -0.55 0.00 5.08 -1.13 0.15 114.58 117.54 3ii4 h GLU 321 Ca 0.12 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3ii4 h GLU 321 Cb 0.39 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 3ii4 h GLU 321 CO -0.31 -0.25 0.19 0.00 -1.00 0.00 0.00 179.01 177.64 3ii4 h ALA 322 N 0.43 0.68 -0.20 3.43 0.00 -0.52 -0.14 119.26 122.94 3ii4 h ALA 322 Ca 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3ii4 h ALA 322 Cb 0.50 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3ii4 h ALA 322 CO -0.26 -0.21 -0.21 1.96 0.00 0.00 0.00 179.25 180.53 3ii4 h GLN 323 N 0.37 0.35 -0.11 0.00 4.20 -0.33 -1.66 115.11 117.93 3ii4 h GLN 323 Ca 0.27 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ii4 h GLN 323 Cb 0.31 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3ii4 h GLN 323 CO -0.28 0.55 0.06 0.78 -0.67 0.00 0.00 178.83 179.27 3ii4 h GLY 324 N 0.95 0.14 0.83 3.46 0.00 0.10 0.18 103.07 108.73 3ii4 h GLY 324 Ca 0.05 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3ii4 h GLY 324 CO 0.04 0.04 0.17 -2.08 0.00 0.00 0.00 176.54 174.71 3ii4 h VAL 325 N 0.12 0.98 -0.70 4.60 2.07 -0.78 -0.83 116.25 121.70 3ii4 h VAL 325 Ca 0.04 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3ii4 h VAL 325 Cb 0.00 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 3ii4 h VAL 325 CO -0.02 0.07 0.43 0.58 0.02 0.00 0.00 177.57 178.64 3ii4 h VAL 326 N 0.36 1.07 -0.26 2.57 2.07 -0.96 0.42 116.25 121.52 3ii4 h VAL 326 Ca 0.15 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3ii4 h VAL 326 Cb 0.06 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3ii4 h VAL 326 CO -0.11 0.15 0.15 0.00 0.02 0.00 0.00 177.57 177.78 3ii4 h ALA 327 N 1.31 0.34 0.53 1.67 0.00 -0.43 -1.35 119.26 121.33 3ii4 h ALA 327 Ca 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ii4 h ALA 327 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ii4 h ALA 327 CO -0.12 -0.14 -0.27 0.00 0.00 0.00 0.00 179.25 178.72 3ii4 h ALA 328 N 1.03 -0.74 -0.64 0.00 0.00 -0.66 -1.94 119.26 116.30 3ii4 h ALA 328 Ca 0.09 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ii4 h ALA 328 Cb 0.06 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3ii4 h ALA 328 CO -0.02 -0.92 0.34 0.93 0.00 0.00 0.00 179.25 179.59 3ii4 h GLU 329 N -0.74 0.61 -0.79 0.00 5.08 -0.90 -1.59 114.58 116.24 3ii4 h GLU 329 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3ii4 h GLU 329 Cb 0.58 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3ii4 h GLU 329 CO 0.11 0.40 0.51 1.79 -1.00 0.00 0.00 179.01 180.82 3ii4 h THR 330 N 0.62 1.21 -0.16 1.13 1.35 -1.13 -0.60 112.91 115.34 3ii4 h THR 330 Ca 0.30 -0.40 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3ii4 h THR 330 Cb 0.22 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.69 3ii4 h THR 330 CO -0.20 0.20 0.10 0.40 -0.25 0.00 0.00 175.52 175.77 3ii4 h ILE 331 N 1.07 1.07 0.00 6.82 2.04 -0.72 -2.33 117.51 125.46 3ii4 h ILE 331 Ca 0.29 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3ii4 h ILE 331 Cb -0.10 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3ii4 h ILE 331 CO -0.06 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.15 3ii4 n ALA 332 N -2.15 2.12 -1.90 1.87 0.00 -0.66 -4.87 120.51 114.93 3ii4 n ALA 332 Ca -0.04 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 3ii4 n ALA 332 Cb 0.05 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 3ii4 n ALA 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ii4 n GLY 333 N 0.37 0.45 3.96 0.00 0.00 -0.48 -5.01 105.19 104.49 3ii4 n GLY 333 Ca 0.11 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 3ii4 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ii4 s ALA 334 N -2.58 3.87 0.23 4.61 0.00 -0.36 -5.02 121.76 122.51 3ii4 s ALA 334 Ca 0.00 -1.20 -0.31 0.00 0.00 0.00 0.00 51.96 50.45 3ii4 s ALA 334 Cb 0.00 -2.07 -0.10 0.00 0.00 0.00 0.00 23.12 20.95 3ii4 s ALA 334 CO 0.00 -0.49 1.53 -2.00 0.00 0.00 0.00 175.76 174.81 3ii4 s GLU 335 N -4.60 4.21 0.25 0.00 2.12 -1.26 -4.52 118.70 114.90 3ii4 s GLU 335 Ca 0.52 2.40 -0.04 0.00 0.36 0.00 0.00 54.97 58.20 3ii4 s GLU 335 Cb -0.10 -3.10 -0.02 0.00 0.26 0.00 0.00 34.13 31.17 3ii4 s GLU 335 CO 0.37 -0.55 0.31 -0.08 -0.54 0.00 0.00 175.26 174.78 3ii4 s THR 336 N 0.45 0.00 -0.18 -1.70 -1.32 -1.26 -4.96 115.64 106.67 3ii4 s THR 336 Ca 0.65 -1.74 -0.04 0.00 -1.21 0.00 0.00 61.69 59.35 3ii4 s THR 336 Cb -0.44 -2.42 0.06 0.00 -1.51 0.00 0.00 72.50 68.18 3ii4 s THR 336 CO 0.40 0.00 0.06 -0.22 -2.21 0.00 0.00 174.62 172.64 3ii4 s LEU 337 N -3.14 0.80 0.46 9.08 0.20 -1.26 -5.12 118.68 119.69 3ii4 s LEU 337 Ca 0.32 -0.68 -0.23 0.00 0.69 0.00 0.00 54.13 54.23 3ii4 s LEU 337 Cb 0.03 -0.44 -0.10 0.00 -0.43 0.00 0.00 46.19 45.26 3ii4 s LEU 337 CO 0.14 -0.32 0.96 1.07 -0.29 0.00 0.00 176.35 177.91 3ii4 n THR 338 N 5.15 2.61 0.30 3.68 5.66 -1.26 -4.84 114.28 125.58 3ii4 n THR 338 Ca -0.08 -0.50 0.19 0.00 -3.05 0.00 0.00 64.05 60.61 3ii4 n THR 338 Cb 0.48 -1.11 0.94 0.00 -1.55 0.00 0.00 70.33 69.10 3ii4 n THR 338 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3ii4 h LEU 339 N 1.26 0.00 0.00 1.09 3.38 -1.96 -3.48 115.31 115.60 3ii4 h LEU 339 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3ii4 h LEU 339 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3ii4 h LEU 339 CO 0.55 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.71 3ii4 n GLY 340 N -0.59 1.01 3.62 0.83 0.00 -1.26 -4.62 105.19 104.18 3ii4 n GLY 340 Ca -0.01 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3ii4 n GLY 340 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ii4 s ASP 341 N -4.00 6.37 0.48 1.61 2.15 -1.26 -4.87 116.67 117.15 3ii4 s ASP 341 Ca 0.00 1.48 0.33 0.00 0.43 0.00 0.00 52.55 54.79 3ii4 s ASP 341 Cb 0.00 -2.53 1.62 0.00 -0.30 0.00 0.00 42.92 41.71 3ii4 s ASP 341 CO 0.00 -1.29 1.99 0.45 -0.17 0.00 0.00 175.17 176.15 3ii4 h HIS 342 N 10.75 0.00 0.00 -5.34 3.86 -1.97 -1.75 115.15 120.70 3ii4 h HIS 342 Ca -0.32 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.87 3ii4 h HIS 342 Cb 1.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 3ii4 h HIS 342 CO 0.91 0.00 -0.06 0.00 0.86 0.00 0.00 177.93 179.64 3ii4 h ARG 343 N 0.00 0.00 0.00 2.45 3.08 -1.93 -1.99 114.38 115.98 3ii4 h ARG 343 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ii4 h ARG 343 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ii4 h ARG 343 CO 0.00 0.06 -0.09 -1.33 -1.07 0.00 0.00 179.97 177.55 3ii4 n MET 344 N -3.30 0.00 -2.36 0.04 2.81 -0.66 -1.14 117.12 112.52 3ii4 n MET 344 Ca -0.01 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.53 3ii4 n MET 344 Cb 0.25 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.24 3ii4 n MET 344 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ii4 s LEU 345 N -3.01 3.88 0.55 4.03 1.43 -0.75 -4.03 118.68 120.78 3ii4 s LEU 345 Ca 0.13 2.14 -0.15 0.00 -1.03 0.00 0.00 54.13 55.22 3ii4 s LEU 345 Cb 0.19 -4.45 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 3ii4 s LEU 345 CO 0.56 -0.97 1.00 -2.16 0.23 0.00 0.00 176.35 175.01 3ii4 s PRO 346 N -3.05 3.81 0.02 1.29 0.04 -1.26 -4.21 135.00 131.65 3ii4 s PRO 346 Ca 0.68 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 3ii4 s PRO 346 Cb -0.23 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.25 3ii4 s PRO 346 CO 0.27 -0.39 0.51 -0.98 0.04 0.00 0.00 177.00 176.45 3ii4 s ARG 347 N -4.39 0.99 0.00 4.56 3.03 -0.81 -5.00 118.95 117.33 3ii4 s ARG 347 Ca 0.58 -0.17 -0.12 0.00 2.03 0.00 0.00 55.73 58.06 3ii4 s ARG 347 Cb -0.11 0.45 0.01 0.00 -1.03 0.00 0.00 34.95 34.28 3ii4 s ARG 347 CO 0.38 -0.34 0.24 0.00 -1.13 0.00 0.00 175.30 174.46 3ii4 s ALA 348 N -2.13 -0.58 -0.14 7.88 0.00 -1.26 -1.73 121.76 123.80 3ii4 s ALA 348 Ca -0.07 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 3ii4 s ALA 348 Cb -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 3ii4 s ALA 348 CO 0.01 -0.28 -0.11 0.99 0.00 0.00 0.00 175.76 176.37 3ii4 s THR 349 N -1.65 3.18 -0.38 0.00 2.01 0.06 -4.98 115.64 113.87 3ii4 s THR 349 Ca -0.12 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.30 3ii4 s THR 349 Cb -0.05 -2.36 0.49 0.00 0.01 0.00 0.00 72.50 70.60 3ii4 s THR 349 CO 0.02 0.51 1.78 0.49 -0.69 0.00 0.00 174.62 176.72 3ii4 n PHE 350 N 3.68 2.44 -1.84 4.92 3.01 -1.26 -2.13 117.46 126.28 3ii4 n PHE 350 Ca -0.18 -1.74 -0.29 0.00 1.01 0.00 0.00 57.45 56.24 3ii4 n PHE 350 Cb 0.52 -0.88 0.12 0.00 -0.01 0.00 0.00 39.48 39.23 3ii4 n PHE 350 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3ii4 s GLN 352 N -5.61 2.41 0.62 0.00 2.00 -1.26 -2.13 119.66 115.69 3ii4 s GLN 352 Ca 0.65 -0.61 -0.19 0.00 -2.00 0.00 0.00 55.36 53.21 3ii4 s GLN 352 Cb -0.10 -2.12 -0.03 0.00 0.80 0.00 0.00 33.01 31.57 3ii4 s GLN 352 CO 0.51 -0.16 1.26 -1.25 -0.50 0.00 0.00 175.29 175.14 3ii4 s PRO 353 N 1.25 2.79 1.06 1.67 0.04 -1.26 -5.09 135.00 135.45 3ii4 s PRO 353 Ca 0.00 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 3ii4 s PRO 353 Cb -0.14 -1.91 0.22 0.00 0.04 0.00 0.00 34.50 32.72 3ii4 s PRO 353 CO -0.07 -1.39 1.10 -0.80 0.04 0.00 0.00 177.00 175.88 3ii4 s ASN 354 N -1.47 2.13 -0.07 6.66 0.02 -0.29 -4.69 114.94 117.22 3ii4 s ASN 354 Ca 0.80 1.00 -0.00 0.00 -1.02 0.00 0.00 52.86 53.63 3ii4 s ASN 354 Cb -0.34 -1.54 0.02 0.00 0.02 0.00 0.00 41.25 39.42 3ii4 s ASN 354 CO 0.37 -3.42 -0.03 -0.69 0.02 0.00 0.00 177.10 173.35 3ii4 s VAL 355 N -3.00 0.58 -0.02 1.60 1.01 -0.90 -2.23 120.40 117.43 3ii4 s VAL 355 Ca 0.67 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.60 3ii4 s VAL 355 Cb -0.16 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3ii4 s VAL 355 CO 0.57 0.27 -0.02 0.00 0.00 0.00 0.00 175.10 175.92 3ii4 s ALA 356 N 1.53 0.39 0.34 5.51 0.00 -0.33 -0.76 121.76 128.43 3ii4 s ALA 356 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 3ii4 s ALA 356 Cb -0.13 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3ii4 s ALA 356 CO -0.04 -0.00 0.53 -1.54 0.00 0.00 0.00 175.76 174.71 3ii4 s SER 357 N 0.61 0.67 -0.17 0.00 1.04 -0.70 0.33 113.70 115.47 3ii4 s SER 357 Ca -0.06 -1.38 -0.31 0.00 0.48 0.00 0.00 55.95 54.67 3ii4 s SER 357 Cb -0.10 0.69 0.14 0.00 0.10 0.00 0.00 66.02 66.85 3ii4 s SER 357 CO -0.01 -1.35 1.12 0.72 0.98 0.00 0.00 173.24 174.70 3ii4 s PHE 358 N -3.02 -0.23 0.00 5.02 -0.12 -0.33 -1.92 117.98 117.39 3ii4 s PHE 358 Ca 0.27 0.29 0.00 0.00 -0.05 0.00 0.00 56.93 57.44 3ii4 s PHE 358 Cb -0.01 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 3ii4 s PHE 358 CO 0.18 -0.27 0.00 0.41 -0.05 0.00 0.00 175.22 175.49 3ii4 n GLY 359 N 0.30 -0.20 3.87 1.99 0.00 -0.29 -0.80 105.19 110.07 3ii4 n GLY 359 Ca -0.05 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3ii4 n GLY 359 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ii4 s LEU 360 N 0.00 4.16 0.79 0.99 1.43 -0.32 -4.76 118.68 120.97 3ii4 s LEU 360 Ca 0.00 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 3ii4 s LEU 360 Cb 0.00 -3.71 0.07 0.00 0.03 0.00 0.00 46.19 42.58 3ii4 s LEU 360 CO 0.00 -0.08 1.16 0.42 0.23 0.00 0.00 176.35 178.08 3ii4 s THR 361 N -1.82 2.29 0.14 5.49 -4.23 -1.26 -4.01 115.64 112.23 3ii4 s THR 361 Ca 0.48 0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 60.87 3ii4 s THR 361 Cb -0.11 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.65 3ii4 s THR 361 CO 0.21 -0.11 1.69 -0.08 -0.54 0.00 0.00 174.62 175.78 3ii4 h GLU 362 N -0.96 -0.00 -0.46 3.99 4.81 -1.98 -1.60 114.58 118.38 3ii4 h GLU 362 Ca -0.46 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 3ii4 h GLU 362 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 3ii4 h GLU 362 CO 0.65 -0.00 0.00 0.37 -0.73 0.00 0.00 179.01 179.31 3ii4 h GLN 363 N -0.00 0.75 -0.22 1.92 5.75 -1.99 -1.21 115.11 120.11 3ii4 h GLN 363 Ca 0.13 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3ii4 h GLN 363 Cb 0.20 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3ii4 h GLN 363 CO -0.28 0.75 -0.03 1.96 -2.65 0.00 0.00 178.83 178.59 3ii4 h GLN 364 N 0.70 0.42 -0.22 1.69 4.20 -1.84 -1.05 115.11 119.01 3ii4 h GLN 364 Ca 0.14 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3ii4 h GLN 364 Cb 0.42 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3ii4 h GLN 364 CO 0.02 0.64 0.08 0.00 -0.67 0.00 0.00 178.83 178.90 3ii4 h ALA 365 N 0.77 1.74 0.19 3.87 0.00 -1.13 0.27 119.26 124.95 3ii4 h ALA 365 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ii4 h ALA 365 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ii4 h ALA 365 CO 0.02 0.21 -0.09 0.00 0.00 0.00 0.00 179.25 179.39 3ii4 h ARG 366 N 0.30 -0.24 -0.18 0.00 2.47 -0.79 -2.58 114.38 113.36 3ii4 h ARG 366 Ca 0.08 0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.72 3ii4 h ARG 366 Cb 0.07 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3ii4 h ARG 366 CO -0.01 -0.01 -0.30 -0.91 0.56 0.00 0.00 179.97 179.30 3ii4 h ASN 367 N -0.44 0.37 0.32 7.04 2.35 -0.53 -2.51 115.58 122.18 3ii4 h ASN 367 Ca -0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3ii4 h ASN 367 Cb 0.34 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3ii4 h ASN 367 CO 0.04 0.66 0.00 -0.62 -1.65 0.00 0.00 177.43 175.86 3ii4 n GLU 368 N -4.10 0.06 -0.16 0.81 -0.58 0.88 -4.86 120.64 112.68 3ii4 n GLU 368 Ca -0.01 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 3ii4 n GLU 368 Cb 0.42 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 3ii4 n GLU 368 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ii4 n GLY 369 N -0.65 0.62 3.76 0.62 0.00 -0.95 -5.07 105.19 103.53 3ii4 n GLY 369 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3ii4 n GLY 369 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ii4 s TYR 370 N -2.30 2.57 -1.25 1.61 1.51 -0.98 -4.92 117.35 113.59 3ii4 s TYR 370 Ca 0.00 1.46 -0.11 0.00 -1.01 0.00 0.00 57.07 57.41 3ii4 s TYR 370 Cb 0.00 -3.06 0.17 0.00 -0.11 0.00 0.00 41.96 38.96 3ii4 s TYR 370 CO 0.00 -1.89 1.70 -3.47 -1.11 0.00 0.00 175.55 170.79 3ii4 n ASP 371 N -3.57 5.14 -4.64 2.29 4.64 -1.26 -4.77 116.55 114.38 3ii4 n ASP 371 Ca 0.08 -3.06 -0.50 0.00 -1.38 0.00 0.00 54.79 49.94 3ii4 n ASP 371 Cb 0.54 -1.52 -0.05 0.00 -1.04 0.00 0.00 41.12 39.05 3ii4 n ASP 371 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3ii4 n VAL 372 N 3.86 0.08 -4.80 5.18 0.31 -1.26 -1.48 118.33 120.22 3ii4 n VAL 372 Ca 0.39 -0.01 -0.26 0.00 -0.01 0.00 0.00 64.34 64.44 3ii4 n VAL 372 Cb 0.39 -1.24 -0.16 0.00 -0.91 0.00 0.00 33.84 31.92 3ii4 n VAL 372 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3ii4 s VAL 373 N 1.23 1.41 0.03 2.52 1.01 0.69 -4.87 120.40 122.43 3ii4 s VAL 373 Ca 0.84 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.20 3ii4 s VAL 373 Cb -0.83 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3ii4 s VAL 373 CO 0.45 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 175.10 3ii4 s VAL 374 N 0.27 1.36 -0.15 2.92 1.01 -1.26 -1.38 120.40 123.17 3ii4 s VAL 374 Ca -0.09 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 3ii4 s VAL 374 Cb -0.14 -1.20 0.05 0.00 0.00 0.00 0.00 36.38 35.10 3ii4 s VAL 374 CO 0.03 0.13 0.08 0.00 0.00 0.00 0.00 175.10 175.34 3ii4 s ALA 375 N -0.77 0.44 -0.13 5.51 0.00 -0.89 -4.87 121.76 121.04 3ii4 s ALA 375 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 3ii4 s ALA 375 Cb -0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 3ii4 s ALA 375 CO 0.01 -1.04 -0.13 0.21 0.00 0.00 0.00 175.76 174.82 3ii4 s LYS 376 N 2.12 3.38 -0.14 0.00 2.20 -1.26 -1.54 119.74 124.50 3ii4 s LYS 376 Ca 0.02 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 3ii4 s LYS 376 Cb -0.15 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.55 3ii4 s LYS 376 CO -0.08 0.20 -0.14 0.12 -0.36 0.00 0.00 175.35 175.09 3ii4 s PHE 377 N 0.39 2.10 0.24 4.03 5.36 -0.28 -4.96 117.98 124.86 3ii4 s PHE 377 Ca -0.10 -1.14 -0.27 0.00 -0.96 0.00 0.00 56.93 54.45 3ii4 s PHE 377 Cb -0.16 -1.55 -0.09 0.00 -0.34 0.00 0.00 43.02 40.88 3ii4 s PHE 377 CO 0.05 -0.63 0.89 -1.25 -1.46 0.00 0.00 175.22 172.82 3ii4 s PRO 378 N 1.41 4.69 0.14 10.12 0.04 -1.26 -1.02 135.00 149.12 3ii4 s PRO 378 Ca 0.03 1.34 0.19 0.00 0.04 0.00 0.00 61.00 62.59 3ii4 s PRO 378 Cb -0.13 -3.14 0.79 0.00 0.04 0.00 0.00 34.50 32.06 3ii4 s PRO 378 CO -0.09 0.47 1.57 1.19 0.04 0.00 0.00 177.00 180.18 3ii4 n PHE 379 N 1.26 0.42 0.27 0.56 3.72 -1.04 -1.80 117.46 120.85 3ii4 n PHE 379 Ca -0.02 0.17 0.10 0.00 -0.05 0.00 0.00 57.45 57.65 3ii4 n PHE 379 Cb 0.48 -0.77 0.48 0.00 -0.94 0.00 0.00 39.48 38.74 3ii4 n PHE 379 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ii4 n THR 380 N -1.88 1.03 -0.89 4.37 -2.24 -0.71 -0.87 114.28 113.09 3ii4 n THR 380 Ca 0.03 0.47 0.08 0.00 -2.27 0.00 0.00 64.05 62.36 3ii4 n THR 380 Cb 0.19 -1.43 0.28 0.00 -2.10 0.00 0.00 70.33 67.28 3ii4 n THR 380 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ii4 n ALA 381 N -1.74 3.10 -3.76 6.98 0.00 -0.74 -4.94 120.51 119.41 3ii4 n ALA 381 Ca 0.00 -2.10 -0.34 0.00 0.00 0.00 0.00 53.44 51.01 3ii4 n ALA 381 Cb 0.12 -0.79 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 3ii4 n ALA 381 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3ii4 s ASN 382 N -1.57 3.75 0.18 0.00 3.84 -0.05 -5.03 114.94 116.06 3ii4 s ASN 382 Ca 0.43 -0.51 -0.18 0.00 0.21 0.00 0.00 52.86 52.82 3ii4 s ASN 382 Cb 0.34 -1.62 0.13 0.00 -0.55 0.00 0.00 41.25 39.55 3ii4 s ASN 382 CO 0.12 -0.00 1.63 0.00 -2.79 0.00 0.00 177.10 176.06 3ii4 h ALA 383 N 7.98 0.18 -0.84 1.71 0.00 -1.89 -2.18 119.26 124.22 3ii4 h ALA 383 Ca -0.43 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ii4 h ALA 383 Cb 1.15 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 3ii4 h ALA 383 CO 0.62 -0.52 0.53 -0.22 0.00 0.00 0.00 179.25 179.66 3ii4 h LYS 384 N -0.08 1.13 -0.30 0.00 1.63 -1.84 -1.36 116.57 115.75 3ii4 h LYS 384 Ca 0.22 -0.09 0.03 0.00 -0.85 0.00 0.00 60.65 59.97 3ii4 h LYS 384 Cb 0.42 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.78 3ii4 h LYS 384 CO -0.52 0.77 0.09 0.00 -3.45 0.00 0.00 179.45 176.35 3ii4 h ALA 385 N 1.29 0.33 -0.29 5.00 0.00 -1.68 -0.18 119.26 123.73 3ii4 h ALA 385 Ca 0.31 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3ii4 h ALA 385 Cb -0.09 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ii4 h ALA 385 CO -0.06 -0.31 -0.10 0.45 0.00 0.00 0.00 179.25 179.23 3ii4 h HIS 386 N 0.22 0.51 -0.24 0.00 3.86 -1.22 -2.29 115.15 116.00 3ii4 h HIS 386 Ca 0.13 -0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 59.16 3ii4 h HIS 386 Cb 0.11 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3ii4 h HIS 386 CO -0.14 0.58 -0.33 0.78 0.86 0.00 0.00 177.93 179.68 3ii4 h GLY 387 N 0.90 0.55 2.00 2.45 0.00 -0.45 -2.99 103.07 105.53 3ii4 h GLY 387 Ca 0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 3ii4 h GLY 387 CO 0.03 0.45 -0.21 -2.08 0.00 0.00 0.00 176.54 174.73 3ii4 h VAL 388 N 0.43 0.38 0.00 4.60 2.07 -0.74 -3.47 116.25 119.53 3ii4 h VAL 388 Ca 0.05 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.15 3ii4 h VAL 388 Cb 0.79 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3ii4 h VAL 388 CO 0.06 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.47 3ii4 n GLY 389 N 0.94 1.00 2.59 2.17 0.00 -0.91 -5.05 105.19 105.93 3ii4 n GLY 389 Ca 0.03 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 3ii4 n GLY 389 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ii4 s ASP 390 N -2.00 0.57 -0.11 1.61 -1.08 -0.91 -4.99 116.67 109.75 3ii4 s ASP 390 Ca 0.00 -2.32 0.05 0.00 -0.52 0.00 0.00 52.55 49.77 3ii4 s ASP 390 Cb 0.00 0.47 0.33 0.00 -1.46 0.00 0.00 42.92 42.26 3ii4 s ASP 390 CO 0.00 -0.16 1.06 -0.81 0.52 0.00 0.00 175.17 175.78 3ii4 n PRO 391 N 3.24 2.46 -2.42 4.34 -0.04 -1.25 -4.65 135.00 136.68 3ii4 n PRO 391 Ca 0.22 -1.28 -0.25 0.00 -0.04 0.00 0.00 63.50 62.15 3ii4 n PRO 391 Cb 0.49 -1.77 0.10 0.00 -0.04 0.00 0.00 33.50 32.29 3ii4 n PRO 391 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3ii4 s SER 392 N -0.26 4.35 0.00 3.54 1.04 -1.26 -1.74 113.70 119.37 3ii4 s SER 392 Ca 0.22 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3ii4 s SER 392 Cb 0.17 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.92 3ii4 s SER 392 CO 0.06 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.03 3ii4 n GLY 393 N -2.94 -2.16 3.89 7.32 0.00 -1.25 -4.52 105.19 105.52 3ii4 n GLY 393 Ca 0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 3ii4 n GLY 393 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ii4 s PHE 394 N -0.20 0.07 -0.13 1.61 -0.12 0.14 -2.48 117.98 116.86 3ii4 s PHE 394 Ca 0.00 -0.45 -0.00 0.00 -0.05 0.00 0.00 56.93 56.43 3ii4 s PHE 394 Cb 0.00 0.69 0.03 0.00 -0.63 0.00 0.00 43.02 43.11 3ii4 s PHE 394 CO 0.00 -0.88 -0.09 0.08 -0.05 0.00 0.00 175.22 174.28 3ii4 s VAL 395 N -2.17 1.18 -0.22 -2.49 1.01 -0.19 -1.37 120.40 116.15 3ii4 s VAL 395 Ca 0.22 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3ii4 s VAL 395 Cb -0.02 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.19 3ii4 s VAL 395 CO 0.05 0.34 -0.14 -0.75 0.00 0.00 0.00 175.10 174.60 3ii4 s LYS 396 N 1.64 2.67 -0.09 2.72 2.20 0.75 -1.12 119.74 128.51 3ii4 s LYS 396 Ca 0.04 -1.06 -0.00 0.00 -0.36 0.00 0.00 55.97 54.59 3ii4 s LYS 396 Cb -0.13 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 3ii4 s LYS 396 CO -0.09 -0.38 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.95 3ii4 s LEU 397 N 1.22 3.17 -0.09 5.43 1.43 -0.59 -0.30 118.68 128.95 3ii4 s LEU 397 Ca -0.01 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3ii4 s LEU 397 Cb -0.16 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3ii4 s LEU 397 CO -0.09 0.31 -0.12 -0.69 0.23 0.00 0.00 176.35 176.00 3ii4 s VAL 398 N -0.50 3.24 0.19 -1.59 1.01 0.49 -2.10 120.40 121.13 3ii4 s VAL 398 Ca 0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 3ii4 s VAL 398 Cb -0.12 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3ii4 s VAL 398 CO 0.02 0.56 0.41 0.00 0.00 0.00 0.00 175.10 176.09 3ii4 s ALA 399 N -0.21 -0.44 -0.05 5.51 0.00 -0.48 -0.85 121.76 125.23 3ii4 s ALA 399 Ca 0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 3ii4 s ALA 399 Cb -0.13 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 3ii4 s ALA 399 CO 0.03 -0.74 0.34 0.34 0.00 0.00 0.00 175.76 175.74 3ii4 s ASP 400 N -2.93 6.67 0.19 0.00 2.15 -0.31 -0.23 116.67 122.20 3ii4 s ASP 400 Ca 0.14 0.79 -0.09 0.00 0.43 0.00 0.00 52.55 53.82 3ii4 s ASP 400 Cb 0.01 -2.21 0.09 0.00 -0.30 0.00 0.00 42.92 40.51 3ii4 s ASP 400 CO -0.00 0.29 1.67 0.00 -0.17 0.00 0.00 175.17 176.95 3ii4 h ALA 401 N 5.19 0.87 -0.74 3.66 0.00 -1.59 -0.83 119.26 125.82 3ii4 h ALA 401 Ca -0.50 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.23 3ii4 h ALA 401 Cb 1.21 -0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 3ii4 h ALA 401 CO 0.64 0.67 -0.39 0.87 0.00 0.00 0.00 179.25 181.04 3ii4 h LYS 402 N 1.02 -0.11 0.00 0.00 6.56 -1.96 -3.23 116.57 118.85 3ii4 h LYS 402 Ca 0.19 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 3ii4 h LYS 402 Cb 0.50 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 3ii4 h LYS 402 CO 0.02 -0.07 0.00 0.72 -2.06 0.00 0.00 179.45 178.06 3ii4 n HIS 403 N -5.43 0.00 -3.01 -1.35 8.25 -1.25 -5.01 115.22 107.41 3ii4 n HIS 403 Ca 0.05 -0.13 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 3ii4 n HIS 403 Cb 0.36 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.50 3ii4 n HIS 403 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ii4 n GLY 404 N -0.13 0.17 3.81 -1.41 0.00 -0.33 -4.55 105.19 102.76 3ii4 n GLY 404 Ca 0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3ii4 n GLY 404 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ii4 s GLU 405 N -5.53 4.21 0.24 1.61 2.02 -1.16 -0.31 118.70 119.78 3ii4 s GLU 405 Ca 0.26 0.75 -0.30 0.00 0.02 0.00 0.00 54.97 55.70 3ii4 s GLU 405 Cb -0.11 -3.21 -0.09 0.00 0.10 0.00 0.00 34.13 30.82 3ii4 s GLU 405 CO 0.37 0.62 1.26 -0.51 0.02 0.00 0.00 175.26 177.02 3ii4 s LEU 406 N -1.19 4.45 -0.08 1.80 1.43 -1.26 -1.17 118.68 122.66 3ii4 s LEU 406 Ca 0.30 2.42 0.03 0.00 -1.03 0.00 0.00 54.13 55.85 3ii4 s LEU 406 Cb -0.19 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.34 3ii4 s LEU 406 CO 0.19 -0.44 -0.03 0.18 0.23 0.00 0.00 176.35 176.49 3ii4 n LEU 407 N 1.96 1.53 -3.58 1.79 4.77 -0.03 -4.90 117.00 118.55 3ii4 n LEU 407 Ca 0.03 -0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 3ii4 n LEU 407 Cb 0.43 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3ii4 n LEU 407 CO 0.57 0.41 0.94 -0.83 -1.33 0.00 0.00 177.39 177.15 3ii4 s GLY 408 N -4.34 -0.28 0.00 -0.72 0.00 -1.01 -1.17 107.32 99.80 3ii4 s GLY 408 Ca -0.08 1.66 0.03 0.00 0.00 0.00 0.00 44.72 46.33 3ii4 s GLY 408 CO 0.24 0.61 -0.10 -0.32 0.00 0.00 0.00 173.10 173.52 3ii4 s GLY 409 N -2.01 0.50 -0.12 0.20 0.00 0.02 -0.38 107.32 105.54 3ii4 s GLY 409 Ca 0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 3ii4 s GLY 409 CO -0.05 -0.44 0.09 0.30 0.00 0.00 0.00 173.10 173.00 3ii4 s HIS 410 N -0.42 0.09 0.05 1.90 3.76 0.59 -1.18 115.29 120.08 3ii4 s HIS 410 Ca 0.02 -0.02 0.08 0.00 -0.15 0.00 0.00 55.06 54.99 3ii4 s HIS 410 Cb -0.05 -0.57 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 3ii4 s HIS 410 CO -0.00 -0.39 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.77 3ii4 s LEU 411 N 2.17 2.19 -0.11 0.89 1.02 0.15 -0.18 118.68 124.81 3ii4 s LEU 411 Ca 0.03 -0.56 -0.03 0.00 0.02 0.00 0.00 54.13 53.60 3ii4 s LEU 411 Cb -0.14 -1.03 0.04 0.00 0.02 0.00 0.00 46.19 45.08 3ii4 s LEU 411 CO -0.07 0.17 0.04 -0.69 0.02 0.00 0.00 176.35 175.82 3ii4 s VAL 412 N -0.85 0.17 0.00 -1.59 1.01 -0.47 -1.19 120.40 117.49 3ii4 s VAL 412 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3ii4 s VAL 412 Cb -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 36.38 35.75 3ii4 s VAL 412 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.75 3ii4 n GLY 413 N 5.20 0.23 3.59 4.51 0.00 -0.95 0.23 105.19 118.01 3ii4 n GLY 413 Ca -0.06 -1.05 -0.50 0.00 0.00 0.00 0.00 46.02 44.41 3ii4 n GLY 413 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ii4 n HIS 414 N -0.48 1.98 -2.82 1.61 -0.00 -1.26 -1.14 115.22 113.11 3ii4 n HIS 414 Ca 0.00 0.18 -0.13 0.00 -0.00 0.00 0.00 57.72 57.77 3ii4 n HIS 414 Cb 0.00 -2.59 -0.01 0.00 -0.00 0.00 0.00 29.99 27.40 3ii4 n HIS 414 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3ii4 n ASP 415 N 8.06 -2.92 0.00 0.26 8.00 -1.26 -4.83 116.55 123.84 3ii4 n ASP 415 Ca 0.31 0.05 0.03 0.00 0.71 0.00 0.00 54.79 55.89 3ii4 n ASP 415 Cb 0.25 -2.51 0.17 0.00 -0.02 0.00 0.00 41.12 39.01 3ii4 n ASP 415 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3ii4 n VAL 416 N -3.32 1.02 0.30 2.53 0.24 -1.06 -2.78 118.33 115.25 3ii4 n VAL 416 Ca -0.06 0.25 0.13 0.00 -2.04 0.00 0.00 64.34 62.63 3ii4 n VAL 416 Cb 0.55 -1.14 0.61 0.00 -1.47 0.00 0.00 33.84 32.40 3ii4 n VAL 416 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ii4 h ALA 417 N 2.31 1.00 -0.04 2.33 0.00 -1.87 -2.15 119.26 120.84 3ii4 h ALA 417 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ii4 h ALA 417 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ii4 h ALA 417 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3ii4 n GLU 418 N -2.43 1.81 0.00 0.00 -0.58 -1.12 -4.14 120.64 114.18 3ii4 n GLU 418 Ca 0.00 -1.19 0.11 0.00 -0.42 0.00 0.00 57.16 55.67 3ii4 n GLU 418 Cb 0.16 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.56 3ii4 n GLU 418 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3ii4 n LEU 419 N 0.44 2.02 -0.14 -4.62 4.77 -0.81 -4.58 117.00 114.08 3ii4 n LEU 419 Ca 0.18 -0.76 -0.12 0.00 -0.03 0.00 0.00 56.01 55.28 3ii4 n LEU 419 Cb 0.40 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 3ii4 n LEU 419 CO 0.16 0.38 0.63 -0.07 -1.33 0.00 0.00 177.39 177.16 3ii4 h LEU 420 N 2.41 0.97 -0.83 2.23 3.38 -1.72 -3.36 115.31 118.38 3ii4 h LEU 420 Ca 0.00 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 57.70 3ii4 h LEU 420 Cb 0.75 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.09 3ii4 h LEU 420 CO 0.00 1.17 -0.26 -2.65 0.09 0.00 0.00 178.44 176.80 3ii4 n PRO 421 N -4.14 -0.12 -0.34 1.13 -0.02 -1.26 0.12 135.00 130.36 3ii4 n PRO 421 Ca -0.01 1.29 -0.00 0.00 -2.02 0.00 0.00 63.50 62.76 3ii4 n PRO 421 Cb 0.47 -1.93 0.13 0.00 -0.02 0.00 0.00 33.50 32.16 3ii4 n PRO 421 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ii4 h GLU 422 N 0.00 1.12 0.08 -0.52 4.81 -1.93 -1.08 114.58 117.07 3ii4 h GLU 422 Ca 0.36 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3ii4 h GLU 422 Cb 0.56 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3ii4 h GLU 422 CO -0.85 0.74 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.06 3ii4 h LEU 423 N 1.15 -0.10 -0.97 1.64 3.38 -0.52 -2.40 115.31 117.49 3ii4 h LEU 423 Ca 0.38 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3ii4 h LEU 423 Cb 0.04 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3ii4 h LEU 423 CO -0.13 0.20 -0.11 0.71 0.09 0.00 0.00 178.44 179.19 3ii4 h THR 424 N -0.40 1.24 -0.16 0.22 1.35 -1.32 -1.89 112.91 111.95 3ii4 h THR 424 Ca -0.01 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.76 3ii4 h THR 424 Cb 0.34 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 3ii4 h THR 424 CO 0.02 0.36 0.07 0.25 -0.25 0.00 0.00 175.52 175.97 3ii4 h LEU 425 N 0.57 0.22 -0.69 3.87 5.85 -1.19 -1.04 115.31 122.91 3ii4 h LEU 425 Ca 0.10 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3ii4 h LEU 425 Cb 0.53 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3ii4 h LEU 425 CO 0.03 0.30 0.39 0.00 -0.34 0.00 0.00 178.44 178.82 3ii4 h ALA 426 N 0.93 0.88 -0.62 1.25 0.00 -1.28 -1.76 119.26 118.65 3ii4 h ALA 426 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ii4 h ALA 426 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3ii4 h ALA 426 CO -0.01 0.38 0.24 0.37 0.00 0.00 0.00 179.25 180.23 3ii4 h GLN 427 N 0.94 0.93 -0.36 0.00 -0.00 -1.17 0.05 115.11 115.50 3ii4 h GLN 427 Ca 0.24 -0.17 -0.14 0.00 -0.00 0.00 0.00 58.65 58.58 3ii4 h GLN 427 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.34 3ii4 h GLN 427 CO -0.04 0.79 -0.35 -0.09 0.00 0.00 0.00 178.83 179.14 3ii4 h ARG 428 N 0.87 0.82 -1.49 1.69 2.43 -0.95 -3.31 114.38 114.45 3ii4 h ARG 428 Ca 0.21 -0.41 -0.69 0.00 -0.81 0.00 0.00 59.98 58.28 3ii4 h ARG 428 Cb 0.21 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 29.44 3ii4 h ARG 428 CO -0.02 1.04 0.47 0.91 -1.51 0.00 0.00 179.97 180.86 3ii4 n TRP 429 N -4.06 3.10 -4.01 2.20 7.02 -0.68 -4.95 117.44 116.06 3ii4 n TRP 429 Ca -0.01 -2.65 -0.26 0.00 -1.02 0.00 0.00 57.50 53.55 3ii4 n TRP 429 Cb 0.51 -0.96 -0.08 0.00 -2.42 0.00 0.00 31.31 28.36 3ii4 n TRP 429 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ii4 n ASP 430 N -0.65 0.66 -4.52 -0.99 4.64 -1.14 -4.93 116.55 109.62 3ii4 n ASP 430 Ca 0.53 -1.06 -0.36 0.00 -1.38 0.00 0.00 54.79 52.52 3ii4 n ASP 430 Cb 0.51 -1.32 -0.12 0.00 -1.04 0.00 0.00 41.12 39.16 3ii4 n ASP 430 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3ii4 s LEU 431 N -6.66 3.57 0.72 -2.67 1.43 -0.01 -5.06 118.68 110.00 3ii4 s LEU 431 Ca 0.01 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3ii4 s LEU 431 Cb -0.01 -1.93 0.14 0.00 0.03 0.00 0.00 46.19 44.42 3ii4 s LEU 431 CO 0.83 0.05 0.99 0.42 0.23 0.00 0.00 176.35 178.88 3ii4 s THR 432 N 1.09 2.01 0.50 5.49 -4.23 -1.26 -4.45 115.64 114.78 3ii4 s THR 432 Ca 0.04 -0.69 0.19 0.00 -1.18 0.00 0.00 61.69 60.05 3ii4 s THR 432 Cb -0.14 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.71 3ii4 s THR 432 CO 0.03 0.00 2.05 0.00 -0.54 0.00 0.00 174.62 176.16 3ii4 h ALA 433 N -0.49 2.18 -0.26 3.99 0.00 -0.91 0.71 119.26 124.49 3ii4 h ALA 433 Ca -0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3ii4 h ALA 433 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ii4 h ALA 433 CO 0.37 -0.27 0.10 0.77 0.00 0.00 0.00 179.25 180.22 3ii4 h SER 434 N 0.12 0.36 0.56 0.00 0.02 -1.86 0.16 113.55 112.91 3ii4 h SER 434 Ca 0.17 -0.17 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 3ii4 h SER 434 Cb 0.51 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3ii4 h SER 434 CO -0.02 0.44 -0.83 -0.33 -1.14 0.00 0.00 176.83 174.95 3ii4 h GLU 435 N 0.27 0.19 -0.40 3.45 3.07 -1.72 -3.26 114.58 116.18 3ii4 h GLU 435 Ca 0.09 -0.19 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 3ii4 h GLU 435 Cb 0.19 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 3ii4 h GLU 435 CO -0.01 0.91 0.01 -0.07 -1.40 0.00 0.00 179.01 178.45 3ii4 h LEU 436 N 0.11 0.68 -0.46 1.33 3.38 -0.66 -2.79 115.31 116.90 3ii4 h LEU 436 Ca -0.04 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3ii4 h LEU 436 Cb 1.43 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ii4 h LEU 436 CO 0.13 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.47 3ii4 n ALA 437 N -2.40 1.26 0.93 1.53 0.00 0.55 -1.73 120.51 120.65 3ii4 n ALA 437 Ca -0.01 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.60 3ii4 n ALA 437 Cb 0.28 -1.19 0.26 0.00 0.00 0.00 0.00 19.45 18.81 3ii4 n ALA 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ii4 n ARG 438 N -1.80 2.15 -3.07 0.00 5.12 -1.05 -4.85 116.66 113.16 3ii4 n ARG 438 Ca 0.01 -1.70 -0.41 0.00 -1.93 0.00 0.00 57.85 53.81 3ii4 n ARG 438 Cb 0.08 -1.47 -0.06 0.00 -1.16 0.00 0.00 32.46 29.85 3ii4 n ARG 438 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3ii4 s ASN 439 N -1.76 6.53 -0.02 0.55 3.04 -0.71 -5.03 114.94 117.54 3ii4 s ASN 439 Ca 0.34 0.45 -0.30 0.00 0.04 0.00 0.00 52.86 53.39 3ii4 s ASN 439 Cb 0.21 -2.35 -0.04 0.00 -1.54 0.00 0.00 41.25 37.53 3ii4 s ASN 439 CO 0.30 -0.53 1.23 -0.69 -3.04 0.00 0.00 177.10 174.37 3ii4 s VAL 440 N 2.71 4.14 -0.15 -5.21 1.01 -1.26 -4.98 120.40 116.67 3ii4 s VAL 440 Ca 0.27 1.49 -0.06 0.00 0.00 0.00 0.00 61.98 63.68 3ii4 s VAL 440 Cb -0.15 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3ii4 s VAL 440 CO 0.12 0.02 0.06 -1.00 0.00 0.00 0.00 175.10 174.30 3ii4 s HIS 441 N 2.01 3.28 0.50 5.22 0.09 -1.26 -5.08 115.29 120.05 3ii4 s HIS 441 Ca 0.57 0.17 -0.23 0.00 -0.00 0.00 0.00 55.06 55.57 3ii4 s HIS 441 Cb -0.26 -1.97 -0.07 0.00 -0.00 0.00 0.00 32.58 30.27 3ii4 s HIS 441 CO 0.24 0.33 1.29 2.41 -0.00 0.00 0.00 174.74 179.01 3ii4 n THR 442 N 2.90 3.30 -5.00 1.30 -1.04 -1.26 -4.94 114.28 109.54 3ii4 n THR 442 Ca -0.18 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.01 3ii4 n THR 442 Cb 0.53 -1.59 -0.15 0.00 -1.82 0.00 0.00 70.33 67.31 3ii4 n THR 442 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3ii4 s HIS 443 N -1.28 2.63 -0.13 -1.42 2.46 -1.26 -3.41 115.29 112.89 3ii4 s HIS 443 Ca 0.68 -0.53 -0.05 0.00 0.47 0.00 0.00 55.06 55.62 3ii4 s HIS 443 Cb -0.45 -1.68 -0.04 0.00 -0.13 0.00 0.00 32.58 30.28 3ii4 s HIS 443 CO 0.53 -0.09 0.06 -1.25 -2.47 0.00 0.00 174.74 171.52 3ii4 s PRO 444 N -0.18 3.51 0.15 2.88 0.04 -1.26 -5.17 135.00 134.96 3ii4 s PRO 444 Ca -0.01 -0.31 -0.09 0.00 0.04 0.00 0.00 61.00 60.63 3ii4 s PRO 444 Cb -0.13 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 3ii4 s PRO 444 CO 0.03 0.55 0.26 0.95 0.04 0.00 0.00 177.00 178.83 3ii4 s THR 445 N -0.42 0.08 0.38 1.26 -4.23 -1.22 -4.72 115.64 106.77 3ii4 s THR 445 Ca 0.10 -1.38 0.11 0.00 -1.18 0.00 0.00 61.69 59.34 3ii4 s THR 445 Cb -0.12 -1.78 0.12 0.00 1.34 0.00 0.00 72.50 72.06 3ii4 s THR 445 CO 0.02 -0.35 1.86 0.24 -0.54 0.00 0.00 174.62 175.85 3ii4 h MET 446 N 2.59 0.09 0.00 3.99 2.86 -1.92 -2.83 114.93 119.71 3ii4 h MET 446 Ca -0.32 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 3ii4 h MET 446 Cb 1.22 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3ii4 h MET 446 CO 0.50 0.37 0.02 0.66 1.06 0.00 0.00 176.91 179.52 3ii4 h SER 447 N 0.09 0.00 0.55 1.22 4.64 -1.95 -0.98 113.55 117.11 3ii4 h SER 447 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3ii4 h SER 447 Cb 0.54 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3ii4 h SER 447 CO 0.04 0.00 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.62 3ii4 h GLU 448 N 0.00 0.00 0.00 4.77 5.08 -1.78 -1.32 114.58 121.34 3ii4 h GLU 448 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3ii4 h GLU 448 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3ii4 h GLU 448 CO 0.00 0.05 -0.11 0.00 -1.00 0.00 0.00 179.01 177.95 3ii4 h ALA 449 N 1.95 1.11 0.11 3.43 0.00 -1.40 -2.11 119.26 122.35 3ii4 h ALA 449 Ca -0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 3ii4 h ALA 449 Cb 0.34 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ii4 h ALA 449 CO 0.01 0.14 -1.20 -0.07 0.00 0.00 0.00 179.25 178.13 3ii4 h LEU 450 N 0.00 0.53 -0.49 0.00 3.38 -1.42 -3.10 115.31 114.22 3ii4 h LEU 450 Ca -0.00 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 3ii4 h LEU 450 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3ii4 h LEU 450 CO 0.01 1.38 0.23 -0.61 0.09 0.00 0.00 178.44 179.54 3ii4 h GLN 451 N 0.13 0.70 -0.51 1.13 4.15 -1.39 -1.86 115.11 117.48 3ii4 h GLN 451 Ca -0.14 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.18 3ii4 h GLN 451 Cb 1.89 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 29.43 3ii4 h GLN 451 CO 0.20 0.60 0.33 0.93 -1.93 0.00 0.00 178.83 178.97 3ii4 h GLU 452 N 0.64 0.66 -0.66 1.69 4.39 -1.49 -1.87 114.58 117.94 3ii4 h GLU 452 Ca 0.17 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 3ii4 h GLU 452 Cb 0.13 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3ii4 h GLU 452 CO -0.02 0.44 0.29 0.00 -1.16 0.00 0.00 179.01 178.55 3ii4 h PHE 454 N 0.94 1.05 -0.25 0.00 0.05 -0.66 0.13 116.94 118.21 3ii4 h PHE 454 Ca 0.23 0.03 -0.17 0.00 3.82 0.00 0.00 57.97 61.87 3ii4 h PHE 454 Cb 0.15 -0.35 -0.00 0.00 2.00 0.00 0.00 35.95 37.74 3ii4 h PHE 454 CO 0.01 0.59 -0.53 0.45 -0.18 0.00 0.00 178.31 178.66 3ii4 h HIS 455 N 1.08 0.90 0.00 -0.55 3.86 -0.52 -1.33 115.15 118.58 3ii4 h HIS 455 Ca 0.36 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3ii4 h HIS 455 Cb 0.04 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3ii4 h HIS 455 CO -0.02 1.09 0.00 0.41 0.86 0.00 0.00 177.93 180.27 3ii4 n GLY 456 N 0.27 -1.23 0.14 2.45 0.00 0.63 -0.54 105.19 106.91 3ii4 n GLY 456 Ca -0.03 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 3ii4 n GLY 456 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ii4 n LEU 457 N -1.43 2.75 0.09 0.99 7.94 0.39 -4.24 117.00 123.49 3ii4 n LEU 457 Ca 0.07 0.10 -0.08 0.00 -1.11 0.00 0.00 56.01 54.99 3ii4 n LEU 457 Cb 0.25 -1.05 -0.01 0.00 0.53 0.00 0.00 43.42 43.14 3ii4 n LEU 457 CO 0.21 0.88 0.25 0.58 -1.11 0.00 0.00 177.39 178.20 3ii4 h VAL 458 N 0.05 1.51 0.00 1.96 2.07 -1.06 -3.48 116.25 117.29 3ii4 h VAL 458 Ca -0.47 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.39 3ii4 h VAL 458 Cb 1.99 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 3ii4 h VAL 458 CO 0.03 0.77 0.00 0.61 0.02 0.00 0.00 177.57 179.00 3ii4 n GLY 459 N 0.88 -0.51 3.11 2.17 0.00 0.30 -5.09 105.19 106.04 3ii4 n GLY 459 Ca -0.03 0.59 -0.25 0.00 0.00 0.00 0.00 46.02 46.32 3ii4 n GLY 459 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ii4 s HIS 460 N 1.55 1.60 0.97 1.61 -3.43 -1.05 -4.42 115.29 112.12 3ii4 s HIS 460 Ca 0.00 -0.47 -0.13 0.00 -0.80 0.00 0.00 55.06 53.66 3ii4 s HIS 460 Cb 0.00 -1.09 0.08 0.00 -1.43 0.00 0.00 32.58 30.14 3ii4 s HIS 460 CO 0.00 -0.17 0.58 -1.33 -2.00 0.00 0.00 174.74 171.81 3ii4 n MET 461 N 3.25 -0.59 -0.08 -0.38 0.00 -1.25 -4.57 117.12 113.49 3ii4 n MET 461 Ca -0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 57.70 57.32 3ii4 n MET 461 Cb 0.53 -1.98 -0.02 0.00 0.00 0.00 0.00 33.22 31.74 3ii4 n MET 461 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 3ii4 n ILE 462 N -3.92 1.45 -1.00 2.02 5.41 -1.26 -4.43 119.36 117.63 3ii4 n ILE 462 Ca 0.07 0.18 -0.14 0.00 1.00 0.00 0.00 62.75 63.85 3ii4 n ILE 462 Cb 0.54 -2.36 -0.05 0.00 -0.71 0.00 0.00 39.64 37.05 3ii4 n ILE 462 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ii4 n ASN 463 N -4.56 5.88 0.00 4.38 4.13 -1.26 -5.23 115.26 118.60 3ii4 n ASN 463 Ca -0.11 -2.80 0.00 0.00 1.68 0.00 0.00 54.58 53.36 3ii4 n ASN 463 Cb 0.37 -1.22 0.00 0.00 -1.54 0.00 0.00 39.78 37.39 3ii4 n ASN 463 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87