#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iof h GLY 42 N 0.00 0.00 -5.11 0.00 0.00 -1.97 -3.43 103.07 92.55 3iof h GLY 42 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3iof h GLY 42 CO 0.00 0.00 -0.22 -0.29 0.00 0.00 0.00 176.54 176.03 3iof s MET 43 N -4.65 0.53 0.13 4.80 1.75 -1.26 -1.03 119.30 119.56 3iof s MET 43 Ca -0.04 0.49 0.08 0.00 -1.25 0.00 0.00 55.69 54.97 3iof s MET 43 Cb 0.16 0.25 -0.04 0.00 2.84 0.00 0.00 34.83 38.04 3iof s MET 43 CO 0.69 -0.08 -0.18 -1.54 -0.65 0.00 0.00 175.02 173.26 3iof s SER 44 N 0.01 2.46 -0.18 1.11 1.04 -0.52 -4.99 113.70 112.63 3iof s SER 44 Ca -0.02 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 3iof s SER 44 Cb -0.03 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.01 3iof s SER 44 CO 0.01 -0.02 -0.00 -0.22 0.98 0.00 0.00 173.24 173.99 3iof s LEU 45 N -2.28 1.42 -0.02 2.42 2.96 -1.26 -1.31 118.68 120.61 3iof s LEU 45 Ca 0.10 -0.75 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 3iof s LEU 45 Cb -0.08 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.89 3iof s LEU 45 CO 0.05 -0.25 -0.02 0.42 -1.32 0.00 0.00 176.35 175.22 3iof s THR 46 N 1.75 0.29 0.17 3.68 -4.23 -0.42 -4.95 115.64 111.94 3iof s THR 46 Ca -0.01 -0.06 -0.32 0.00 -1.18 0.00 0.00 61.69 60.13 3iof s THR 46 Cb -0.16 -0.32 -0.11 0.00 1.34 0.00 0.00 72.50 73.25 3iof s THR 46 CO -0.07 0.13 1.68 -1.58 -0.54 0.00 0.00 174.62 174.24 3iof s GLN 47 N 0.51 4.16 -0.26 3.99 0.74 -1.26 -0.50 119.66 127.04 3iof s GLN 47 Ca -0.05 2.50 0.00 0.00 0.05 0.00 0.00 55.36 57.86 3iof s GLN 47 Cb -0.09 -3.20 -0.16 0.00 1.10 0.00 0.00 33.01 30.66 3iof s GLN 47 CO -0.01 -0.71 -0.24 1.55 -0.55 0.00 0.00 175.29 175.33 3iof n VAL 48 N 4.12 1.49 -3.55 1.34 3.14 -0.09 -4.87 118.33 119.91 3iof n VAL 48 Ca 0.15 -0.55 -0.00 0.00 -2.96 0.00 0.00 64.34 60.99 3iof n VAL 48 Cb 0.37 -1.47 -0.04 0.00 -1.06 0.00 0.00 33.84 31.64 3iof n VAL 48 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3iof s SER 49 N -6.62 -0.92 1.43 6.55 0.15 -0.93 -5.05 113.70 108.31 3iof s SER 49 Ca -0.35 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.57 3iof s SER 49 Cb 0.10 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.45 3iof s SER 49 CO 0.58 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.46 3iof n GLY 50 N 5.24 3.51 0.06 9.45 0.00 -1.26 -0.92 105.19 121.27 3iof n GLY 50 Ca -0.11 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 3iof n GLY 50 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iof n PRO 51 N 14.00 1.09 -3.51 1.61 -0.04 -1.26 -4.78 135.00 142.10 3iof n PRO 51 Ca 0.00 -0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 62.95 3iof n PRO 51 Cb 0.00 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 3iof n PRO 51 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iof s VAL 52 N -1.99 5.26 0.13 0.52 1.01 -0.10 -1.34 120.40 123.89 3iof s VAL 52 Ca 0.40 0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.83 3iof s VAL 52 Cb 0.19 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3iof s VAL 52 CO 0.31 0.23 -0.23 -0.31 0.00 0.00 0.00 175.10 175.10 3iof s TYR 53 N 1.75 2.04 -0.11 5.22 1.51 0.01 -0.91 117.35 126.86 3iof s TYR 53 Ca 0.11 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3iof s TYR 53 Cb -0.16 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 3iof s TYR 53 CO 0.10 0.30 -0.06 0.08 -1.11 0.00 0.00 175.55 174.86 3iof s VAL 54 N -1.25 3.78 -0.28 0.71 1.01 0.34 -1.10 120.40 123.60 3iof s VAL 54 Ca 0.11 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 3iof s VAL 54 Cb -0.09 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3iof s VAL 54 CO 0.06 0.55 0.27 -0.69 0.00 0.00 0.00 175.10 175.29 3iof s VAL 55 N -0.27 5.25 -0.42 2.92 1.01 0.67 -1.30 120.40 128.25 3iof s VAL 55 Ca 0.04 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 3iof s VAL 55 Cb -0.13 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3iof s VAL 55 CO 0.02 0.18 0.32 -1.61 0.00 0.00 0.00 175.10 174.01 3iof s GLU 56 N 1.88 2.96 -0.49 2.72 2.02 -0.43 -1.24 118.70 126.13 3iof s GLU 56 Ca 0.10 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 53.84 3iof s GLU 56 Cb -0.16 -4.00 0.10 0.00 0.10 0.00 0.00 34.13 30.17 3iof s GLU 56 CO 0.11 -0.82 0.41 0.34 0.02 0.00 0.00 175.26 175.31 3iof s ASP 57 N 1.91 6.01 0.00 -0.19 2.15 -0.11 -1.44 116.67 125.01 3iof s ASP 57 Ca 0.05 -1.63 0.21 0.00 0.43 0.00 0.00 52.55 51.61 3iof s ASP 57 Cb -0.20 -2.14 0.79 0.00 -0.30 0.00 0.00 42.92 41.07 3iof s ASP 57 CO 0.09 -0.72 1.57 0.59 -0.17 0.00 0.00 175.17 176.53 3iof n ASN 58 N 5.13 1.55 -4.77 -0.34 3.02 -0.20 -1.24 115.26 118.41 3iof n ASN 58 Ca -0.12 -1.68 -0.39 0.00 -0.03 0.00 0.00 54.58 52.36 3iof n ASN 58 Cb 0.42 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.48 3iof n ASN 58 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3iof s TYR 59 N -1.82 2.93 0.00 3.10 2.02 -1.25 -4.56 117.35 117.76 3iof s TYR 59 Ca 0.32 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.47 3iof s TYR 59 Cb 0.17 -3.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 3iof s TYR 59 CO 0.26 -1.87 0.00 0.66 -1.57 0.00 0.00 175.55 173.03 3iof n TYR 60 N 0.28 0.00 -3.46 2.71 4.01 -1.26 -4.04 117.16 115.41 3iof n TYR 60 Ca 0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.40 3iof n TYR 60 Cb 0.44 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.40 3iof n TYR 60 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3iof s VAL 67 N 0.00 5.26 0.12 -0.72 1.01 -1.26 -5.01 120.40 119.80 3iof s VAL 67 Ca 0.00 0.68 -0.35 0.00 0.00 0.00 0.00 61.98 62.31 3iof s VAL 67 Cb 0.00 -3.70 -0.16 0.00 0.00 0.00 0.00 36.38 32.52 3iof s VAL 67 CO 0.00 0.36 1.35 1.67 0.00 0.00 0.00 175.10 178.48 3iof n GLN 68 N 3.70 1.35 -4.51 2.72 7.27 -1.26 -4.92 117.38 121.73 3iof n GLN 68 Ca -0.10 0.49 -0.21 0.00 0.07 0.00 0.00 57.00 57.24 3iof n GLN 68 Cb 0.52 -2.13 -0.14 0.00 2.41 0.00 0.00 30.24 30.90 3iof n GLN 68 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 3iof s GLU 69 N 0.38 1.06 -0.10 3.69 4.04 -0.37 -4.34 118.70 123.06 3iof s GLU 69 Ca 0.81 -0.65 0.01 0.00 0.04 0.00 0.00 54.97 55.18 3iof s GLU 69 Cb -0.88 -1.06 -0.02 0.00 0.02 0.00 0.00 34.13 32.19 3iof s GLU 69 CO 0.46 0.28 -0.11 -0.80 -1.84 0.00 0.00 175.26 173.25 3iof s ASN 70 N -0.75 4.26 0.43 0.83 0.01 -0.25 -0.93 114.94 118.53 3iof s ASN 70 Ca 0.04 -0.20 0.04 0.00 -0.71 0.00 0.00 52.86 52.03 3iof s ASN 70 Cb -0.07 -1.31 -0.02 0.00 0.41 0.00 0.00 41.25 40.26 3iof s ASN 70 CO 0.00 0.26 0.12 -0.44 -1.51 0.00 0.00 177.10 175.54 3iof s SER 71 N -0.22 2.99 0.15 -1.22 0.01 -0.37 -4.57 113.70 110.47 3iof s SER 71 Ca 0.02 -1.70 0.08 0.00 1.31 0.00 0.00 55.95 55.65 3iof s SER 71 Cb -0.13 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 3iof s SER 71 CO 0.03 -0.96 -0.17 -0.04 0.41 0.00 0.00 173.24 172.52 3iof s MET 72 N -3.70 1.19 -0.02 12.44 1.00 -0.24 -0.24 119.30 129.73 3iof s MET 72 Ca 0.21 -1.35 0.03 0.00 0.00 0.00 0.00 55.69 54.57 3iof s MET 72 Cb 0.02 -1.18 -0.00 0.00 0.00 0.00 0.00 34.83 33.67 3iof s MET 72 CO 0.13 0.23 -0.09 0.08 0.00 0.00 0.00 175.02 175.38 3iof s VAL 73 N -2.11 0.74 -0.18 -6.03 1.01 -0.26 -0.37 120.40 113.21 3iof s VAL 73 Ca 0.14 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3iof s VAL 73 Cb -0.05 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.69 3iof s VAL 73 CO 0.05 0.23 -0.20 -0.47 0.00 0.00 0.00 175.10 174.71 3iof s TYR 74 N 0.06 2.77 -0.63 5.22 5.04 0.38 -0.81 117.35 129.38 3iof s TYR 74 Ca -0.01 -1.59 -0.19 0.00 -2.44 0.00 0.00 57.07 52.84 3iof s TYR 74 Cb -0.07 -1.91 0.10 0.00 0.35 0.00 0.00 41.96 40.43 3iof s TYR 74 CO 0.00 -0.78 0.77 -0.06 -1.34 0.00 0.00 175.55 174.15 3iof s PHE 75 N 1.24 2.98 0.48 4.97 0.08 -0.45 -1.32 117.98 125.96 3iof s PHE 75 Ca 0.04 -0.97 0.06 0.00 0.12 0.00 0.00 56.93 56.18 3iof s PHE 75 Cb -0.13 -4.07 0.08 0.00 -0.57 0.00 0.00 43.02 38.33 3iof s PHE 75 CO -0.11 -1.35 0.66 0.41 -0.10 0.00 0.00 175.22 174.72 3iof n GLY 76 N 5.25 1.74 0.29 4.36 0.00 -0.24 -4.77 105.19 111.81 3iof n GLY 76 Ca -0.06 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 3iof n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iof h ALA 77 N 0.06 0.72 0.00 4.61 0.00 -1.97 -3.11 119.26 119.57 3iof h ALA 77 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3iof h ALA 77 Cb 0.98 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3iof h ALA 77 CO 0.30 0.63 -1.16 1.63 0.00 0.00 0.00 179.25 180.65 3iof n LYS 78 N -4.18 0.45 -3.96 0.00 5.02 -1.26 -5.06 118.16 109.17 3iof n LYS 78 Ca 0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3iof n LYS 78 Cb 0.40 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3iof n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iof n GLY 79 N 1.29 -1.77 3.70 0.72 0.00 -1.18 -4.42 105.19 103.53 3iof n GLY 79 Ca 0.00 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 3iof n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iof s VAL 80 N -2.74 4.75 -0.16 1.61 1.01 0.21 -1.08 120.40 124.00 3iof s VAL 80 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 3iof s VAL 80 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3iof s VAL 80 CO 0.00 0.55 -0.09 -0.89 0.00 0.00 0.00 175.10 174.67 3iof s THR 81 N -0.42 3.31 -0.13 3.92 2.01 -0.43 -0.64 115.64 123.25 3iof s THR 81 Ca 0.09 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 3iof s THR 81 Cb -0.12 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 3iof s THR 81 CO 0.02 0.50 0.05 -0.69 -0.69 0.00 0.00 174.62 173.80 3iof s VAL 82 N 0.61 4.69 -0.32 3.82 1.01 -0.28 -0.47 120.40 129.45 3iof s VAL 82 Ca -0.05 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3iof s VAL 82 Cb -0.15 -3.05 0.08 0.00 0.00 0.00 0.00 36.38 33.26 3iof s VAL 82 CO 0.03 0.54 0.02 -0.69 0.00 0.00 0.00 175.10 175.01 3iof s VAL 83 N -0.34 2.66 0.00 2.92 1.01 0.50 -0.65 120.40 126.50 3iof s VAL 83 Ca 0.08 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.24 3iof s VAL 83 Cb -0.12 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3iof s VAL 83 CO 0.02 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.40 3iof n GLY 84 N 4.47 0.84 0.01 4.51 0.00 0.33 -1.08 105.19 114.28 3iof n GLY 84 Ca -0.07 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 44.94 3iof n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iof n ALA 85 N 2.76 2.10 -0.35 4.61 0.00 -0.36 -4.77 120.51 124.51 3iof n ALA 85 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.41 3iof n ALA 85 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 3iof n ALA 85 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iof n THR 86 N -1.55 0.00 -0.15 0.00 -2.24 -1.25 -3.55 114.28 105.54 3iof n THR 86 Ca 0.06 0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.84 3iof n THR 86 Cb 0.29 -0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3iof n THR 86 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 3iof h TRP 87 N -0.33 0.69 -4.37 4.78 4.06 -1.75 -0.73 115.95 118.31 3iof h TRP 87 Ca -0.01 -0.06 -0.20 0.00 2.06 0.00 0.00 58.89 60.68 3iof h TRP 87 Cb 0.32 -0.20 -0.14 0.00 -1.00 0.00 0.00 29.16 28.14 3iof h TRP 87 CO -0.20 0.61 -0.50 0.95 -3.56 0.00 0.00 178.44 175.74 3iof s THR 88 N -5.47 0.00 0.44 1.49 -4.23 -1.26 -3.99 115.64 102.62 3iof s THR 88 Ca -0.13 -1.86 0.12 0.00 -1.18 0.00 0.00 61.69 58.64 3iof s THR 88 Cb 0.11 -2.43 0.30 0.00 1.34 0.00 0.00 72.50 71.82 3iof s THR 88 CO 0.77 -0.00 2.03 -0.65 -0.54 0.00 0.00 174.62 176.23 3iof h PRO 89 N 2.54 0.38 -0.26 3.99 0.11 -1.78 -0.77 132.00 136.22 3iof h PRO 89 Ca -0.34 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 3iof h PRO 89 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3iof h PRO 89 CO 0.49 0.25 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.05 3iof h ASP 90 N 0.39 0.49 -0.12 -2.05 3.32 -1.94 -1.21 116.42 115.30 3iof h ASP 90 Ca 0.19 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 3iof h ASP 90 Cb 0.26 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3iof h ASP 90 CO -0.05 0.73 -0.11 0.71 -1.72 0.00 0.00 179.24 178.80 3iof h THR 91 N 0.24 1.22 -0.57 0.35 1.35 -1.82 -1.15 112.91 112.53 3iof h THR 91 Ca 0.07 -0.96 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 3iof h THR 91 Cb 0.51 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.03 3iof h THR 91 CO 0.02 0.31 0.30 0.00 -0.25 0.00 0.00 175.52 175.90 3iof h ALA 92 N 1.46 0.73 -0.85 6.62 0.00 -0.98 -0.37 119.26 125.87 3iof h ALA 92 Ca 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3iof h ALA 92 Cb 0.46 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3iof h ALA 92 CO 0.03 0.27 0.42 -0.09 0.00 0.00 0.00 179.25 179.87 3iof h ARG 93 N 0.77 1.21 -0.88 0.00 2.43 -0.79 0.64 114.38 117.77 3iof h ARG 93 Ca 0.20 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3iof h ARG 93 Cb 0.08 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 3iof h ARG 93 CO -0.03 0.93 0.49 0.93 -1.51 0.00 0.00 179.97 180.77 3iof h GLU 94 N 1.20 1.22 -0.64 0.20 4.39 -0.77 -0.50 114.58 119.69 3iof h GLU 94 Ca 0.29 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 3iof h GLU 94 Cb 0.10 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 3iof h GLU 94 CO -0.04 0.89 0.17 1.25 -1.16 0.00 0.00 179.01 180.12 3iof h LEU 95 N 1.22 0.95 -0.95 1.33 5.85 -0.50 -2.72 115.31 120.49 3iof h LEU 95 Ca 0.31 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3iof h LEU 95 Cb 0.02 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3iof h LEU 95 CO -0.05 0.93 0.39 -0.74 -0.34 0.00 0.00 178.44 178.62 3iof h HIS 96 N 0.93 1.13 -0.78 1.25 2.76 -0.31 -0.23 115.15 119.89 3iof h HIS 96 Ca 0.20 -0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.38 3iof h HIS 96 Cb 0.34 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 28.89 3iof h HIS 96 CO 0.02 0.82 0.48 0.87 -1.30 0.00 0.00 177.93 178.82 3iof h LYS 97 N 1.13 0.86 -0.49 5.26 1.57 -0.91 -0.80 116.57 123.19 3iof h LYS 97 Ca 0.27 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.87 3iof h LYS 97 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3iof h LYS 97 CO -0.04 0.57 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.14 3iof h LEU 98 N 0.89 1.03 -0.68 2.94 3.38 -0.97 -2.96 115.31 118.93 3iof h LEU 98 Ca 0.34 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3iof h LEU 98 Cb 0.13 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3iof h LEU 98 CO -0.16 1.19 0.42 0.40 0.09 0.00 0.00 178.44 180.38 3iof h ILE 99 N 0.87 1.06 0.00 1.22 2.04 -0.52 -2.42 117.51 119.75 3iof h ILE 99 Ca 0.11 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3iof h ILE 99 Cb 0.79 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 3iof h ILE 99 CO 0.07 0.15 -0.04 0.11 0.00 0.00 0.00 178.15 178.43 3iof h LYS 100 N 0.80 0.00 0.00 2.37 1.57 -1.03 0.17 116.57 120.45 3iof h LYS 100 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3iof h LYS 100 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3iof h LYS 100 CO -0.13 0.04 0.00 0.54 -0.57 0.00 0.00 179.45 179.34 3iof n ARG 102 N -3.23 0.23 -0.09 3.15 1.74 -0.92 -3.96 116.66 113.58 3iof n ARG 102 Ca -0.01 0.24 -0.11 0.00 -0.77 0.00 0.00 57.85 57.20 3iof n ARG 102 Cb 0.24 -1.79 -0.10 0.00 -1.02 0.00 0.00 32.46 29.78 3iof n ARG 102 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3iof n VAL 103 N -2.20 1.10 -3.76 1.55 0.31 -0.12 -5.05 118.33 110.16 3iof n VAL 103 Ca 0.05 -0.51 -0.13 0.00 -0.01 0.00 0.00 64.34 63.74 3iof n VAL 103 Cb 0.38 -0.98 -0.10 0.00 -0.91 0.00 0.00 33.84 32.23 3iof n VAL 103 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3iof s SER 104 N -5.54 -0.30 0.00 4.52 0.15 -0.21 -5.02 113.70 107.30 3iof s SER 104 Ca -0.20 0.49 0.27 0.00 0.70 0.00 0.00 55.95 57.21 3iof s SER 104 Cb 0.06 0.57 0.80 0.00 -1.71 0.00 0.00 66.02 65.74 3iof s SER 104 CO 0.52 -0.21 1.60 -2.11 1.20 0.00 0.00 173.24 174.23 3iof n ARG 105 N 2.42 1.25 -2.17 5.44 1.85 -1.26 -4.20 116.66 119.99 3iof n ARG 105 Ca -0.16 -0.77 -0.33 0.00 -1.00 0.00 0.00 57.85 55.59 3iof n ARG 105 Cb 0.57 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 3iof n ARG 105 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3iof s LYS 106 N -2.28 3.42 0.56 2.89 1.02 -1.26 -4.98 119.74 119.11 3iof s LYS 106 Ca 0.30 1.28 -0.19 0.00 0.02 0.00 0.00 55.97 57.37 3iof s LYS 106 Cb 0.20 -2.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.42 3iof s LYS 106 CO 0.44 -0.74 1.16 -1.25 -0.92 0.00 0.00 175.35 174.05 3iof s PRO 108 N -3.82 3.23 -0.49 -1.68 0.04 -1.26 -4.65 135.00 126.37 3iof s PRO 108 Ca 0.65 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 3iof s PRO 108 Cb -0.17 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.40 3iof s PRO 108 CO 0.32 -0.97 1.29 0.08 0.04 0.00 0.00 177.00 177.76 3iof s VAL 109 N -1.69 3.99 -0.03 -0.36 1.01 -1.26 -0.62 120.40 121.45 3iof s VAL 109 Ca 0.74 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 63.48 3iof s VAL 109 Cb -0.27 -4.46 -0.30 0.00 0.00 0.00 0.00 36.38 31.35 3iof s VAL 109 CO 0.30 -1.01 0.94 -0.07 0.00 0.00 0.00 175.10 175.26 3iof h LEU 110 N 12.02 0.52 -7.00 3.92 3.38 -1.22 -3.37 115.31 123.56 3iof h LEU 110 Ca -0.25 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 56.80 3iof h LEU 110 Cb 1.08 -0.17 -0.18 0.00 0.09 0.00 0.00 40.66 41.48 3iof h LEU 110 CO 1.13 1.40 0.31 -1.83 0.09 0.00 0.00 178.44 179.54 3iof s GLU 111 N -2.59 0.98 -0.07 1.13 -1.05 -1.22 -1.51 118.70 114.37 3iof s GLU 111 Ca -0.13 0.02 0.02 0.00 -0.15 0.00 0.00 54.97 54.72 3iof s GLU 111 Cb 0.02 0.46 0.02 0.00 -0.44 0.00 0.00 34.13 34.18 3iof s GLU 111 CO 0.84 -0.35 -0.11 0.54 0.95 0.00 0.00 175.26 177.13 3iof s VAL 112 N -1.94 1.09 -0.20 1.83 0.11 0.23 -1.13 120.40 120.40 3iof s VAL 112 Ca -0.05 -0.43 -0.13 0.00 -2.93 0.00 0.00 61.98 58.44 3iof s VAL 112 Cb -0.00 -1.01 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 3iof s VAL 112 CO 0.01 0.35 0.25 -0.63 -3.33 0.00 0.00 175.10 171.75 3iof s ILE 113 N 0.83 5.32 -0.54 7.04 1.01 0.17 -0.34 121.20 134.70 3iof s ILE 113 Ca -0.11 0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.73 3iof s ILE 113 Cb -0.15 -3.59 0.05 0.00 0.01 0.00 0.00 42.46 38.78 3iof s ILE 113 CO 0.02 0.36 0.84 0.20 0.00 0.00 0.00 174.94 176.35 3iof s ASN 114 N 0.73 6.30 0.17 3.58 0.02 0.19 -0.52 114.94 125.41 3iof s ASN 114 Ca 0.13 -0.56 0.25 0.00 -1.02 0.00 0.00 52.86 51.66 3iof s ASN 114 Cb -0.13 -2.39 0.91 0.00 0.02 0.00 0.00 41.25 39.66 3iof s ASN 114 CO 0.04 -1.12 1.77 0.35 0.02 0.00 0.00 177.10 178.15 3iof n THR 115 N 5.99 0.57 -3.86 1.60 -2.24 -1.26 -4.64 114.28 110.45 3iof n THR 115 Ca -0.01 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 3iof n THR 115 Cb 0.47 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 3iof n THR 115 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3iof n ASN 116 N -2.08 -1.82 -0.37 3.42 0.23 -1.26 -1.44 115.26 111.94 3iof n ASN 116 Ca 0.05 -2.62 0.12 0.00 -0.53 0.00 0.00 54.58 51.60 3iof n ASN 116 Cb 0.35 3.13 0.51 0.00 -2.08 0.00 0.00 39.78 41.69 3iof n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iof n TYR 117 N -0.52 0.10 -1.84 -2.53 0.18 -1.26 -4.53 117.16 106.75 3iof n TYR 117 Ca -0.05 -0.05 -0.31 0.00 1.88 0.00 0.00 57.90 59.38 3iof n TYR 117 Cb 0.56 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.55 3iof n TYR 117 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3iof s HIS 118 N -1.90 3.43 0.44 -3.48 3.76 -1.26 -4.81 115.29 111.47 3iof s HIS 118 Ca 0.35 1.19 0.10 0.00 -0.15 0.00 0.00 55.06 56.54 3iof s HIS 118 Cb 0.18 -2.89 0.97 0.00 1.11 0.00 0.00 32.58 31.94 3iof s HIS 118 CO 0.28 -0.98 2.08 1.79 -0.85 0.00 0.00 174.74 177.06 3iof h THR 119 N -0.52 1.07 0.00 1.30 1.35 -1.92 -0.37 112.91 113.82 3iof h THR 119 Ca -0.45 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 3iof h THR 119 Cb 1.22 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3iof h THR 119 CO 0.62 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 3iof n ASP 120 N -4.49 0.71 -0.00 5.36 5.75 -1.26 -0.98 116.55 121.64 3iof n ASP 120 Ca 0.02 0.61 0.04 0.00 -0.01 0.00 0.00 54.79 55.46 3iof n ASP 120 Cb 0.08 -0.79 -0.06 0.00 -1.03 0.00 0.00 41.12 39.32 3iof n ASP 120 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iof n ARG 121 N -2.22 2.73 0.00 0.11 5.12 -0.74 -3.75 116.66 117.91 3iof n ARG 121 Ca 0.04 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 3iof n ARG 121 Cb 0.34 -1.03 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 3iof n ARG 121 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iof n ALA 122 N -1.42 1.02 0.26 7.54 0.00 -0.22 -1.22 120.51 126.45 3iof n ALA 122 Ca 0.01 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.43 3iof n ALA 122 Cb 0.18 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.27 3iof n ALA 122 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3iof h GLY 123 N 0.00 0.00 1.46 0.00 0.00 -0.75 -1.81 103.07 101.97 3iof h GLY 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3iof h GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3iof n GLY 124 N -1.39 -1.05 0.30 4.60 0.00 -0.31 -3.05 105.19 104.30 3iof n GLY 124 Ca -0.03 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3iof n GLY 124 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3iof h ASN 125 N 0.00 0.30 -0.91 1.61 2.35 -1.58 -0.99 115.58 116.36 3iof h ASN 125 Ca 0.00 0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 3iof h ASN 125 Cb 0.19 0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 3iof h ASN 125 CO 0.00 0.03 0.58 0.00 -1.65 0.00 0.00 177.43 176.39 3iof h ALA 126 N 1.67 1.24 -0.19 -0.83 0.00 -1.84 -0.28 119.26 119.03 3iof h ALA 126 Ca 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 3iof h ALA 126 Cb 0.93 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3iof h ALA 126 CO -0.50 0.39 -0.02 -0.92 0.00 0.00 0.00 179.25 178.21 3iof h TYR 127 N 1.09 0.38 -0.55 0.00 3.20 -1.49 -1.92 116.97 117.70 3iof h TYR 127 Ca 0.38 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3iof h TYR 127 Cb 0.10 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3iof h TYR 127 CO -0.02 0.57 0.36 -1.49 -1.64 0.00 0.00 178.16 175.94 3iof h TRP 128 N 0.08 0.69 -0.96 -3.82 4.06 -1.15 -1.35 115.95 113.50 3iof h TRP 128 Ca 0.05 0.01 0.03 0.00 2.06 0.00 0.00 58.89 61.04 3iof h TRP 128 Cb 0.43 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.30 3iof h TRP 128 CO 0.04 0.44 0.63 0.87 -3.56 0.00 0.00 178.44 176.86 3iof h LYS 129 N 0.74 1.21 0.00 0.49 1.79 -1.07 -1.66 116.57 118.07 3iof h LYS 129 Ca 0.20 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 3iof h LYS 129 Cb -0.08 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 30.30 3iof h LYS 129 CO -0.04 0.80 -0.12 0.77 -1.08 0.00 0.00 179.45 179.77 3iof h SER 130 N 1.24 0.00 -0.38 0.86 0.02 -0.42 -0.38 113.55 114.49 3iof h SER 130 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3iof h SER 130 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3iof h SER 130 CO -0.11 0.12 0.00 2.30 -1.14 0.00 0.00 176.83 178.01 3iof n ILE 131 N -3.89 0.50 -0.80 3.27 -5.35 -0.94 -4.95 119.36 107.19 3iof n ILE 131 Ca -0.02 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 3iof n ILE 131 Cb 0.22 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.74 3iof n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iof n GLY 133 N 1.37 0.58 3.76 3.28 0.00 -0.15 -4.99 105.19 109.05 3iof n GLY 133 Ca 0.18 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3iof n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iof s ALA 134 N -2.00 3.31 0.45 4.61 0.00 -0.65 -4.96 121.76 122.53 3iof s ALA 134 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 51.96 52.47 3iof s ALA 134 Cb 0.00 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 3iof s ALA 134 CO 0.00 -0.02 1.20 0.15 0.00 0.00 0.00 175.76 177.09 3iof s LYS 135 N -1.60 3.75 -0.22 0.00 -0.14 -0.57 -4.06 119.74 116.90 3iof s LYS 135 Ca 0.46 1.88 -0.03 0.00 -1.36 0.00 0.00 55.97 56.92 3iof s LYS 135 Cb -0.27 -2.47 0.00 0.00 -1.68 0.00 0.00 37.83 33.41 3iof s LYS 135 CO 0.34 -0.58 -0.06 0.08 -0.76 0.00 0.00 175.35 174.37 3iof s VAL 136 N -1.46 3.14 -0.07 3.17 1.01 -1.26 -0.60 120.40 124.32 3iof s VAL 136 Ca 0.63 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3iof s VAL 136 Cb -0.31 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 3iof s VAL 136 CO 0.38 0.39 -0.16 -0.69 0.00 0.00 0.00 175.10 175.03 3iof s VAL 137 N 1.43 2.90 0.32 2.92 1.01 0.54 -0.89 120.40 128.64 3iof s VAL 137 Ca 0.05 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 3iof s VAL 137 Cb -0.15 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3iof s VAL 137 CO -0.05 0.57 0.65 -0.94 0.00 0.00 0.00 175.10 175.33 3iof s SER 138 N -0.36 0.10 0.76 3.32 1.04 -0.66 -0.64 113.70 117.27 3iof s SER 138 Ca 0.03 -1.04 -0.11 0.00 0.48 0.00 0.00 55.95 55.31 3iof s SER 138 Cb -0.12 0.73 0.05 0.00 0.10 0.00 0.00 66.02 66.78 3iof s SER 138 CO 0.02 -1.42 1.08 0.42 0.98 0.00 0.00 173.24 174.32 3iof s THR 139 N -3.18 3.43 0.19 2.02 -4.23 -1.26 -0.98 115.64 111.63 3iof s THR 139 Ca 0.19 0.47 -0.11 0.00 -1.18 0.00 0.00 61.69 61.05 3iof s THR 139 Cb -0.03 -3.17 0.11 0.00 1.34 0.00 0.00 72.50 70.75 3iof s THR 139 CO 0.12 -0.61 1.80 -0.09 -0.54 0.00 0.00 174.62 175.30 3iof h ARG 140 N -0.98 0.95 -0.43 3.99 9.65 -1.42 -1.63 114.38 124.50 3iof h ARG 140 Ca -0.46 -0.12 0.05 0.00 -1.10 0.00 0.00 59.98 58.35 3iof h ARG 140 Cb 1.24 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.60 3iof h ARG 140 CO 0.57 0.72 0.17 0.37 2.80 0.00 0.00 179.97 184.60 3iof h GLN 141 N 0.93 0.33 -0.64 0.20 4.15 -1.94 0.14 115.11 118.28 3iof h GLN 141 Ca 0.24 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 3iof h GLN 141 Cb 0.06 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3iof h GLN 141 CO -0.04 0.22 0.39 1.15 -1.93 0.00 0.00 178.83 178.62 3iof h THR 142 N 0.34 1.19 -0.40 2.39 2.02 -1.80 -0.75 112.91 115.89 3iof h THR 142 Ca 0.20 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3iof h THR 142 Cb 0.17 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3iof h THR 142 CO -0.19 0.19 0.10 -0.09 0.37 0.00 0.00 175.52 175.90 3iof h ARG 143 N 0.87 0.64 -0.49 6.66 1.12 -0.76 -0.00 114.38 122.42 3iof h ARG 143 Ca 0.23 -0.16 -0.02 0.00 -1.11 0.00 0.00 59.98 58.92 3iof h ARG 143 Cb -0.02 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 29.83 3iof h ARG 143 CO -0.04 0.67 0.22 -0.44 -3.11 0.00 0.00 179.97 177.27 3iof h ASP 144 N 0.51 0.65 -0.28 -3.80 3.32 -0.49 -1.02 116.42 115.31 3iof h ASP 144 Ca 0.13 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3iof h ASP 144 Cb 0.31 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3iof h ASP 144 CO 0.00 0.61 -0.12 0.25 -1.72 0.00 0.00 179.24 178.27 3iof h LEU 145 N 0.65 0.68 -0.45 1.55 5.85 -0.98 -2.40 115.31 120.20 3iof h LEU 145 Ca 0.17 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3iof h LEU 145 Cb 0.14 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3iof h LEU 145 CO -0.02 0.82 0.21 -0.03 -0.34 0.00 0.00 178.44 179.09 3iof h MET 146 N 0.63 0.65 -0.40 1.25 4.05 -0.59 0.99 114.93 121.51 3iof h MET 146 Ca 0.11 -0.10 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 3iof h MET 146 Cb 0.56 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.21 3iof h MET 146 CO 0.04 0.57 0.19 -0.22 0.23 0.00 0.00 176.91 177.71 3iof h LYS 147 N 0.59 0.38 0.04 0.39 1.63 -0.98 -0.66 116.57 117.96 3iof h LYS 147 Ca 0.15 -0.02 -0.22 0.00 -0.85 0.00 0.00 60.65 59.71 3iof h LYS 147 Cb 0.13 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3iof h LYS 147 CO -0.02 0.25 -1.05 0.66 -3.45 0.00 0.00 179.45 175.85 3iof h SER 148 N 0.39 0.14 0.00 4.20 4.64 -1.24 -3.39 113.55 118.30 3iof h SER 148 Ca 0.17 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3iof h SER 148 Cb 0.09 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3iof h SER 148 CO -0.13 1.09 0.00 0.47 -0.87 0.00 0.00 176.83 177.39 3iof n ASP 149 N -3.44 1.14 -0.14 4.97 9.92 0.33 -4.73 116.55 124.61 3iof n ASP 149 Ca -0.03 -1.15 -0.04 0.00 -0.53 0.00 0.00 54.79 53.04 3iof n ASP 149 Cb 0.94 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.47 3iof n ASP 149 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 3iof h TRP 150 N 0.00 0.24 -0.77 1.24 2.91 -1.25 -0.81 115.95 117.50 3iof h TRP 150 Ca 0.00 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.11 3iof h TRP 150 Cb 0.08 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 28.63 3iof h TRP 150 CO 0.00 0.07 0.46 0.00 -1.03 0.00 0.00 178.44 177.94 3iof h ALA 151 N 1.30 1.06 -0.62 2.65 0.00 -1.84 0.32 119.26 122.12 3iof h ALA 151 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3iof h ALA 151 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3iof h ALA 151 CO -0.23 0.17 0.24 1.49 0.00 0.00 0.00 179.25 180.92 3iof h GLU 152 N 0.84 0.93 -0.12 0.00 4.81 -1.69 -0.92 114.58 118.43 3iof h GLU 152 Ca 0.34 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.24 3iof h GLU 152 Cb 0.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3iof h GLU 152 CO -0.18 0.79 -0.62 0.82 -0.73 0.00 0.00 179.01 179.10 3iof h ILE 153 N 0.87 1.35 -0.52 2.32 1.08 -0.42 -0.97 117.51 121.23 3iof h ILE 153 Ca 0.21 -1.94 -0.03 0.00 -0.39 0.00 0.00 64.86 62.71 3iof h ILE 153 Cb 0.21 1.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 3iof h ILE 153 CO -0.02 0.59 0.22 0.58 -0.69 0.00 0.00 178.15 178.83 3iof h VAL 154 N 0.32 1.21 -0.68 1.67 2.07 -0.81 0.30 116.25 120.33 3iof h VAL 154 Ca -0.01 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3iof h VAL 154 Cb 1.16 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3iof h VAL 154 CO 0.11 0.25 0.39 0.00 0.02 0.00 0.00 177.57 178.33 3iof h ALA 155 N 1.06 0.87 -0.71 1.67 0.00 -0.95 -0.71 119.26 120.51 3iof h ALA 155 Ca 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3iof h ALA 155 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3iof h ALA 155 CO -0.02 0.37 0.16 0.35 0.00 0.00 0.00 179.25 180.11 3iof h PHE 156 N 0.93 1.20 -0.46 0.00 3.57 -0.90 -0.88 116.94 120.39 3iof h PHE 156 Ca 0.24 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3iof h PHE 156 Cb 0.02 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 3iof h PHE 156 CO -0.01 0.98 0.18 1.15 -2.23 0.00 0.00 178.31 178.39 3iof h THR 157 N 1.08 1.21 0.00 4.41 2.02 -0.51 -2.74 112.91 118.37 3iof h THR 157 Ca 0.22 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3iof h THR 157 Cb 0.40 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3iof h THR 157 CO 0.01 0.24 -0.16 0.03 0.37 0.00 0.00 175.52 176.01 3iof h ARG 158 N 0.61 0.00 -0.44 6.66 3.08 -0.81 0.11 114.38 123.59 3iof h ARG 158 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3iof h ARG 158 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3iof h ARG 158 CO -0.01 0.16 0.27 0.87 -1.07 0.00 0.00 179.97 180.19 3iof h LYS 159 N 0.00 0.58 0.00 0.04 1.79 -0.86 -2.56 116.57 115.56 3iof h LYS 159 Ca -0.00 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.21 3iof h LYS 159 Cb 0.69 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.19 3iof h LYS 159 CO 0.02 0.41 -1.01 0.78 -1.08 0.00 0.00 179.45 178.57 3iof h GLY 160 N 0.58 0.01 -6.58 3.86 0.00 -1.35 -3.41 103.07 96.18 3iof h GLY 160 Ca 0.16 -0.02 -0.60 0.00 0.00 0.00 0.00 47.33 46.87 3iof h GLY 160 CO -0.03 0.01 -0.81 1.04 0.00 0.00 0.00 176.54 176.75 3iof n LEU 161 N -3.35 1.23 0.24 3.11 4.77 0.33 -4.98 117.00 118.34 3iof n LEU 161 Ca -0.00 -4.80 0.13 0.00 -0.03 0.00 0.00 56.01 51.30 3iof n LEU 161 Cb 0.94 -0.03 0.76 0.00 -2.33 0.00 0.00 43.42 42.76 3iof n LEU 161 CO 0.47 1.86 1.11 -0.65 -1.33 0.00 0.00 177.39 178.85 3iof h PRO 162 N 5.25 0.00 0.00 3.23 0.11 -1.69 0.70 132.00 139.60 3iof h PRO 162 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3iof h PRO 162 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3iof h PRO 162 CO 0.55 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.49 3iof n GLU 163 N -4.21 0.16 -2.27 1.05 0.00 -1.26 -4.82 120.64 109.29 3iof n GLU 163 Ca -0.01 0.43 -0.41 0.00 0.00 0.00 0.00 57.16 57.17 3iof n GLU 163 Cb 0.17 -1.83 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 3iof n GLU 163 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3iof s TYR 164 N -3.30 3.30 0.62 -1.84 5.04 0.24 -4.98 117.35 116.42 3iof s TYR 164 Ca 0.04 1.42 -0.17 0.00 -2.44 0.00 0.00 57.07 55.92 3iof s TYR 164 Cb 0.09 -3.52 -0.02 0.00 0.35 0.00 0.00 41.96 38.85 3iof s TYR 164 CO 0.35 -1.45 1.13 -1.25 -1.34 0.00 0.00 175.55 172.98 3iof s PRO 165 N -0.92 2.96 -1.27 4.97 0.04 -1.26 -4.89 135.00 134.64 3iof s PRO 165 Ca 0.51 1.51 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 3iof s PRO 165 Cb -0.36 -1.96 0.11 0.00 0.04 0.00 0.00 34.50 32.33 3iof s PRO 165 CO 0.43 -1.14 1.63 0.34 0.04 0.00 0.00 177.00 178.29 3iof s ASP 166 N -2.23 6.93 0.06 6.66 2.15 -1.26 -4.98 116.67 124.00 3iof s ASP 166 Ca 0.70 -2.66 -0.30 0.00 0.43 0.00 0.00 52.55 50.71 3iof s ASP 166 Cb -0.23 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 39.83 3iof s ASP 166 CO 0.36 -1.01 1.16 -0.76 -0.17 0.00 0.00 175.17 174.75 3iof s LEU 167 N 3.22 4.38 0.64 -1.34 1.43 -1.26 -5.02 118.68 120.73 3iof s LEU 167 Ca 0.50 1.96 -0.16 0.00 -1.03 0.00 0.00 54.13 55.39 3iof s LEU 167 Cb 0.01 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 3iof s LEU 167 CO 0.05 -0.42 1.15 -2.16 0.23 0.00 0.00 176.35 175.20 3iof s PRO 168 N 0.97 2.80 0.21 1.29 0.04 -1.26 -4.95 135.00 134.09 3iof s PRO 168 Ca 0.57 1.58 -0.32 0.00 0.04 0.00 0.00 61.00 62.86 3iof s PRO 168 Cb -0.28 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 3iof s PRO 168 CO 0.29 -1.29 1.69 -0.11 0.04 0.00 0.00 177.00 177.62 3iof n LEU 169 N -2.14 3.87 -3.72 -3.56 7.94 -1.26 -4.99 117.00 113.15 3iof n LEU 169 Ca 0.12 1.07 -0.29 0.00 -1.11 0.00 0.00 56.01 55.80 3iof n LEU 169 Cb 0.51 -1.55 -0.16 0.00 0.53 0.00 0.00 43.42 42.75 3iof n LEU 169 CO 0.46 0.10 -0.35 -0.69 -1.11 0.00 0.00 177.39 175.79 3iof s VAL 170 N 1.01 0.60 0.38 1.96 1.01 -1.26 -5.08 120.40 119.02 3iof s VAL 170 Ca 0.75 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 3iof s VAL 170 Cb -0.53 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 3iof s VAL 170 CO 0.35 -0.41 0.85 -0.76 0.00 0.00 0.00 175.10 175.13 3iof s LEU 171 N 1.79 3.98 0.45 3.92 1.43 -1.26 -4.90 118.68 124.10 3iof s LEU 171 Ca 0.03 1.48 -0.24 0.00 -1.03 0.00 0.00 54.13 54.38 3iof s LEU 171 Cb -0.17 -4.32 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 3iof s LEU 171 CO -0.16 -0.30 1.10 -2.65 0.23 0.00 0.00 176.35 174.56 3iof n PRO 172 N -0.57 1.47 -0.03 1.29 -0.02 -1.26 -4.93 135.00 130.96 3iof n PRO 172 Ca 0.05 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 62.13 3iof n PRO 172 Cb 0.54 -2.19 0.07 0.00 -0.02 0.00 0.00 33.50 31.90 3iof n PRO 172 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3iof n ASN 173 N 0.15 2.20 -3.87 2.55 0.23 -0.07 -4.84 115.26 111.62 3iof n ASN 173 Ca 0.09 -1.60 -0.28 0.00 -0.53 0.00 0.00 54.58 52.26 3iof n ASN 173 Cb 0.41 -0.04 -0.16 0.00 -2.08 0.00 0.00 39.78 37.91 3iof n ASN 173 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3iof s VAL 174 N -1.06 1.06 -0.09 3.53 1.01 -0.52 -4.94 120.40 119.39 3iof s VAL 174 Ca 0.17 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3iof s VAL 174 Cb 0.11 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.21 3iof s VAL 174 CO 0.16 0.06 -0.19 -0.69 0.00 0.00 0.00 175.10 174.44 3iof s VAL 175 N 1.64 1.70 -0.09 2.92 1.01 -1.26 -1.65 120.40 124.68 3iof s VAL 175 Ca -0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3iof s VAL 175 Cb -0.16 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 3iof s VAL 175 CO -0.07 0.48 -0.05 -1.00 0.00 0.00 0.00 175.10 174.46 3iof s HIS 176 N 0.58 3.00 -0.63 5.22 3.76 -0.16 -4.84 115.29 122.22 3iof s HIS 176 Ca -0.15 -0.00 0.25 0.00 -0.15 0.00 0.00 55.06 55.01 3iof s HIS 176 Cb -0.17 -1.77 0.55 0.00 1.11 0.00 0.00 32.58 32.30 3iof s HIS 176 CO 0.05 0.29 1.57 -0.44 -0.85 0.00 0.00 174.74 175.36 3iof h ASP 177 N 5.49 0.00 -0.13 1.40 3.32 -1.95 -0.58 116.42 123.97 3iof h ASP 177 Ca -0.46 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3iof h ASP 177 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3iof h ASP 177 CO 0.54 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 3iof n GLY 178 N 1.28 5.59 3.76 2.75 0.00 -1.26 -4.88 105.19 112.43 3iof n GLY 178 Ca 0.04 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 3iof n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iof s ASP 179 N 1.00 4.85 0.10 1.61 1.01 -1.26 -4.93 116.67 119.04 3iof s ASP 179 Ca 0.00 1.99 -0.15 0.00 0.71 0.00 0.00 52.55 55.10 3iof s ASP 179 Cb 0.00 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.41 3iof s ASP 179 CO 0.00 -1.81 0.36 0.72 0.21 0.00 0.00 175.17 174.66 3iof s PHE 180 N -2.45 -0.15 0.18 4.23 -0.12 -0.82 -5.03 117.98 113.83 3iof s PHE 180 Ca 0.66 -0.12 0.07 0.00 -0.05 0.00 0.00 56.93 57.49 3iof s PHE 180 Cb -0.20 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 3iof s PHE 180 CO 0.45 -0.64 -0.14 0.95 -0.05 0.00 0.00 175.22 175.80 3iof s THR 181 N -3.47 1.60 0.27 -4.49 -4.23 -1.26 -0.34 115.64 103.72 3iof s THR 181 Ca 0.01 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.44 3iof s THR 181 Cb 0.02 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.88 3iof s THR 181 CO -0.09 -0.57 0.11 -0.76 -0.54 0.00 0.00 174.62 172.76 3iof s LEU 182 N -3.12 1.67 -1.26 4.79 1.02 0.23 -4.87 118.68 117.13 3iof s LEU 182 Ca 0.19 -1.42 -0.01 0.00 0.02 0.00 0.00 54.13 52.91 3iof s LEU 182 Cb -0.01 0.04 -0.00 0.00 0.02 0.00 0.00 46.19 46.23 3iof s LEU 182 CO 0.05 -0.76 0.79 0.00 0.02 0.00 0.00 176.35 176.45 3iof n GLN 183 N -0.51 -5.05 -3.70 1.70 1.13 -1.26 -2.09 117.38 107.60 3iof n GLN 183 Ca -0.00 0.68 -0.27 0.00 -1.94 0.00 0.00 57.00 55.47 3iof n GLN 183 Cb 0.66 -5.34 0.04 0.00 0.11 0.00 0.00 30.24 25.72 3iof n GLN 183 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3iof n GLU 184 N -4.18 -6.20 -0.92 -1.09 -0.58 -1.26 -1.62 120.64 104.78 3iof n GLU 184 Ca -0.28 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3iof n GLU 184 Cb 0.67 -5.64 0.00 0.00 -0.57 0.00 0.00 31.44 25.91 3iof n GLU 184 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iof n GLY 185 N -1.76 0.65 0.33 0.62 0.00 -0.91 -4.92 105.19 99.21 3iof n GLY 185 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3iof n GLY 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iof n LYS 186 N -2.67 0.94 -3.95 1.61 5.02 -0.64 -4.65 118.16 113.81 3iof n LYS 186 Ca 0.00 -0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 55.33 3iof n LYS 186 Cb 0.00 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.36 3iof n LYS 186 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3iof s VAL 187 N -2.52 1.38 -0.22 -0.18 1.01 -0.89 -4.05 120.40 114.92 3iof s VAL 187 Ca 0.21 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3iof s VAL 187 Cb 0.19 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 35.18 3iof s VAL 187 CO 0.56 0.23 -0.06 -0.13 0.00 0.00 0.00 175.10 175.70 3iof s ARG 188 N 1.53 1.70 -0.14 2.72 0.52 0.04 -0.60 118.95 124.71 3iof s ARG 188 Ca 0.01 -0.94 -0.08 0.00 -0.52 0.00 0.00 55.73 54.20 3iof s ARG 188 Cb -0.15 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 3iof s ARG 188 CO -0.09 -0.56 0.15 0.00 0.02 0.00 0.00 175.30 174.83 3iof s ALA 189 N 1.41 3.80 0.04 2.13 0.00 0.54 -0.41 121.76 129.27 3iof s ALA 189 Ca -0.05 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 3iof s ALA 189 Cb -0.18 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 20.91 3iof s ALA 189 CO -0.07 0.46 0.38 -0.59 0.00 0.00 0.00 175.76 175.93 3iof s PHE 190 N -0.55 -0.21 -0.17 0.00 -0.12 -0.21 -1.94 117.98 114.78 3iof s PHE 190 Ca 0.13 0.16 -0.08 0.00 -0.05 0.00 0.00 56.93 57.09 3iof s PHE 190 Cb -0.12 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3iof s PHE 190 CO 0.02 -0.54 0.09 -0.47 -0.05 0.00 0.00 175.22 174.27 3iof s TYR 191 N -2.42 3.35 -0.06 3.49 5.04 -1.26 -1.00 117.35 124.48 3iof s TYR 191 Ca -0.06 0.23 0.09 0.00 -2.44 0.00 0.00 57.07 54.89 3iof s TYR 191 Cb -0.01 -2.06 0.13 0.00 0.35 0.00 0.00 41.96 40.37 3iof s TYR 191 CO -0.02 0.31 1.04 0.00 -1.34 0.00 0.00 175.55 175.54 3iof n ALA 192 N 3.18 2.06 0.00 3.97 0.00 -1.26 -5.04 120.51 123.41 3iof n ALA 192 Ca -0.17 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.57 3iof n ALA 192 Cb 0.53 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.59 3iof n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iof n GLY 193 N -0.68 1.53 3.83 0.00 0.00 -1.26 -4.56 105.19 104.05 3iof n GLY 193 Ca 0.07 -2.18 -0.33 0.00 0.00 0.00 0.00 46.02 43.58 3iof n GLY 193 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iof s PRO 194 N -1.53 3.87 0.00 1.61 0.04 -1.26 -4.74 135.00 133.00 3iof s PRO 194 Ca 0.00 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3iof s PRO 194 Cb 0.00 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3iof s PRO 194 CO 0.00 -0.34 0.00 0.00 0.04 0.00 0.00 177.00 176.70 3iof n ALA 195 N -1.45 0.00 0.01 8.56 0.00 -1.26 -3.95 120.51 122.42 3iof n ALA 195 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3iof n ALA 195 Cb 0.54 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.30 3iof n ALA 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3iof h HIS 196 N 0.00 0.51 -3.81 0.00 -0.00 -1.89 -0.82 115.15 109.13 3iof h HIS 196 Ca 0.00 -0.05 -0.40 0.00 -0.00 0.00 0.00 60.37 59.93 3iof h HIS 196 Cb 0.00 -0.15 -0.14 0.00 -0.00 0.00 0.00 27.41 27.12 3iof h HIS 196 CO 0.00 0.51 -0.58 0.95 -0.00 0.00 0.00 177.93 178.81 3iof s THR 197 N -4.95 0.43 0.27 6.26 -4.23 -1.26 -2.61 115.64 109.55 3iof s THR 197 Ca -0.07 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.69 3iof s THR 197 Cb 0.15 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.69 3iof s THR 197 CO 0.76 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 176.12 3iof h PRO 198 N 2.26 0.00 -0.00 3.99 0.11 -1.84 -3.33 132.00 133.18 3iof h PRO 198 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3iof h PRO 198 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3iof h PRO 198 CO 0.56 0.19 -0.45 -0.40 -0.21 0.00 0.00 178.00 177.69 3iof n ASP 199 N -3.51 0.83 -4.75 -2.05 5.75 -1.26 -3.99 116.55 107.57 3iof n ASP 199 Ca -0.01 -0.92 -0.42 0.00 -0.01 0.00 0.00 54.79 53.44 3iof n ASP 199 Cb 0.35 0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 41.24 3iof n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iof n GLY 200 N 1.17 1.29 3.73 6.12 0.00 -1.25 -4.81 105.19 111.45 3iof n GLY 200 Ca 0.03 0.43 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 3iof n GLY 200 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iof s ILE 201 N -0.24 3.89 0.12 -0.61 -4.36 -0.52 -4.69 121.20 114.79 3iof s ILE 201 Ca 0.62 -1.67 0.01 0.00 -0.26 0.00 0.00 60.65 59.35 3iof s ILE 201 Cb -0.50 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.07 3iof s ILE 201 CO 0.52 -0.36 0.27 -0.36 0.24 0.00 0.00 174.94 175.25 3iof s PHE 202 N -2.24 3.50 -0.09 1.37 0.08 -0.17 -4.51 117.98 115.92 3iof s PHE 202 Ca 0.32 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.58 3iof s PHE 202 Cb -0.07 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.67 3iof s PHE 202 CO 0.22 0.53 -0.07 0.08 -0.10 0.00 0.00 175.22 175.88 3iof s VAL 203 N -1.66 0.87 -0.05 -0.44 1.01 0.14 -1.04 120.40 119.22 3iof s VAL 203 Ca 0.35 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.14 3iof s VAL 203 Cb -0.12 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3iof s VAL 203 CO 0.28 0.33 -0.17 -0.47 0.00 0.00 0.00 175.10 175.06 3iof s TYR 204 N 1.41 2.61 -0.45 5.22 5.04 0.46 -0.52 117.35 131.12 3iof s TYR 204 Ca -0.02 -0.27 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 3iof s TYR 204 Cb -0.13 -1.61 0.12 0.00 0.35 0.00 0.00 41.96 40.69 3iof s TYR 204 CO -0.04 0.10 0.22 -0.06 -1.34 0.00 0.00 175.55 174.42 3iof s PHE 205 N -0.62 3.52 0.29 4.97 0.40 -0.02 -0.78 117.98 125.75 3iof s PHE 205 Ca 0.09 -2.81 -0.00 0.00 -0.60 0.00 0.00 56.93 53.61 3iof s PHE 205 Cb -0.11 -3.05 0.42 0.00 0.51 0.00 0.00 43.02 40.79 3iof s PHE 205 CO 0.01 -0.89 1.82 -1.00 0.70 0.00 0.00 175.22 175.85 3iof h PRO 209 N 7.40 0.76 -0.65 0.24 0.13 -1.85 0.17 132.00 138.20 3iof h PRO 209 Ca -0.07 -0.17 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 3iof h PRO 209 Cb 0.99 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 3iof h PRO 209 CO 0.65 0.72 0.21 -0.44 -0.23 0.00 0.00 178.00 178.91 3iof h ASP 210 N 0.73 0.92 0.05 1.44 3.32 -1.95 -3.04 116.42 117.90 3iof h ASP 210 Ca 0.16 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iof h ASP 210 Cb 0.34 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3iof h ASP 210 CO 0.01 0.86 -0.64 -0.62 -1.72 0.00 0.00 179.24 177.12 3iof n GLU 211 N -4.27 0.66 -3.74 3.56 4.71 -1.08 -4.98 120.64 115.49 3iof n GLU 211 Ca 0.05 -0.52 -0.23 0.00 -0.01 0.00 0.00 57.16 56.45 3iof n GLU 211 Cb 0.21 -1.49 0.03 0.00 -1.01 0.00 0.00 31.44 29.18 3iof n GLU 211 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3iof n GLN 215 N -0.72 -5.02 -4.68 3.49 6.02 0.02 -4.73 117.38 111.77 3iof n GLN 215 Ca 0.07 0.61 -0.33 0.00 -0.01 0.00 0.00 57.00 57.35 3iof n GLN 215 Cb 0.40 -5.23 -0.13 0.00 1.02 0.00 0.00 30.24 26.30 3iof n GLN 215 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3iof s VAL 216 N -3.61 3.37 -0.12 5.09 1.01 -1.06 -0.78 120.40 124.30 3iof s VAL 216 Ca 0.12 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3iof s VAL 216 Cb -0.06 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3iof s VAL 216 CO 0.82 0.54 -0.17 -0.22 0.00 0.00 0.00 175.10 176.06 3iof s LEU 217 N -0.04 2.47 -0.09 3.92 2.96 -0.08 -0.84 118.68 126.99 3iof s LEU 217 Ca -0.01 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3iof s LEU 217 Cb -0.14 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3iof s LEU 217 CO 0.03 0.17 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.62 3iof s TYR 218 N 0.32 2.74 -0.04 5.38 5.04 0.32 -1.05 117.35 130.07 3iof s TYR 218 Ca -0.14 -0.39 0.06 0.00 -2.44 0.00 0.00 57.07 54.16 3iof s TYR 218 Cb -0.17 -1.72 0.09 0.00 0.35 0.00 0.00 41.96 40.51 3iof s TYR 218 CO 0.07 -0.00 1.04 0.41 -1.34 0.00 0.00 175.55 175.72 3iof n GLY 219 N 2.87 3.43 7.00 8.97 0.00 -1.25 -0.69 105.19 125.51 3iof n GLY 219 Ca -0.18 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3iof n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iof n GLY 220 N -0.77 3.20 0.00 -0.02 0.00 -1.26 -1.15 105.19 105.18 3iof n GLY 220 Ca 0.05 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3iof n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iof h ILE 222 N 0.00 1.32 -3.52 0.00 2.04 -1.52 -3.44 117.51 112.38 3iof h ILE 222 Ca 0.00 -2.04 -0.67 0.00 1.00 0.00 0.00 64.86 63.15 3iof h ILE 222 Cb 0.17 2.03 -0.28 0.00 -0.74 0.00 0.00 36.82 37.99 3iof h ILE 222 CO 0.00 0.63 -0.81 -0.76 0.00 0.00 0.00 178.15 177.21 3iof s LEU 223 N -8.23 2.49 -0.01 1.44 1.43 -1.23 -4.93 118.68 109.64 3iof s LEU 223 Ca -0.08 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 3iof s LEU 223 Cb 0.09 -1.53 0.10 0.00 0.03 0.00 0.00 46.19 44.89 3iof s LEU 223 CO 0.88 0.20 1.28 -1.59 0.23 0.00 0.00 176.35 177.35 3iof s LYS 224 N 0.12 0.42 -0.13 1.70 -2.85 -1.26 -0.78 119.74 116.96 3iof s LYS 224 Ca -0.09 -0.27 0.01 0.00 -1.00 0.00 0.00 55.97 54.63 3iof s LYS 224 Cb -0.15 0.12 -0.24 0.00 -2.06 0.00 0.00 37.83 35.50 3iof s LYS 224 CO 0.05 -0.20 0.31 0.39 0.10 0.00 0.00 175.35 176.00 3iof n GLU 225 N -0.78 0.71 -4.16 1.78 1.02 -1.26 -4.57 120.64 113.38 3iof n GLU 225 Ca -0.00 0.23 -0.25 0.00 -0.02 0.00 0.00 57.16 57.12 3iof n GLU 225 Cb 0.60 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.28 3iof n GLU 225 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3iof s LYS 226 N -2.56 2.69 0.25 3.49 1.02 -1.26 -4.94 119.74 118.43 3iof s LYS 226 Ca -0.19 -1.07 -0.05 0.00 0.02 0.00 0.00 55.97 54.68 3iof s LYS 226 Cb 0.07 -2.47 0.48 0.00 -0.52 0.00 0.00 37.83 35.39 3iof s LYS 226 CO 0.76 0.43 1.66 -0.07 -0.92 0.00 0.00 175.35 177.22 3iof h LEU 231 N 2.14 -0.11 0.00 3.17 3.38 -1.97 -3.47 115.31 118.46 3iof h LEU 231 Ca -0.47 0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3iof h LEU 231 Cb 1.22 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3iof h LEU 231 CO 0.61 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.65 3iof n GLY 232 N -1.37 0.38 3.65 0.83 0.00 -1.26 -4.71 105.19 102.71 3iof n GLY 232 Ca 0.15 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 3iof n GLY 232 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iof s ASN 233 N -4.00 6.97 0.00 1.61 2.47 -1.26 -4.89 114.94 115.85 3iof s ASN 233 Ca 0.00 1.38 0.14 0.00 0.42 0.00 0.00 52.86 54.81 3iof s ASN 233 Cb 0.00 -2.54 0.17 0.00 -1.45 0.00 0.00 41.25 37.43 3iof s ASN 233 CO 0.00 -0.78 1.03 0.18 -3.72 0.00 0.00 177.10 173.81 3iof n LEU 234 N 6.66 2.41 0.27 3.21 4.77 -1.26 -4.71 117.00 128.35 3iof n LEU 234 Ca 0.13 -1.20 0.12 0.00 -0.03 0.00 0.00 56.01 55.03 3iof n LEU 234 Cb 0.46 -0.06 0.76 0.00 -2.33 0.00 0.00 43.42 42.25 3iof n LEU 234 CO 0.56 0.48 1.02 0.28 -1.33 0.00 0.00 177.39 178.40 3iof h SER 235 N 2.82 0.00 -0.16 -1.43 0.02 -1.90 -1.87 113.55 111.03 3iof h SER 235 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iof h SER 235 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3iof h SER 235 CO 0.00 0.08 0.00 0.49 -1.14 0.00 0.00 176.83 176.26 3iof n PHE 236 N -3.84 0.20 -2.89 3.45 3.72 -1.26 -5.05 117.46 111.79 3iof n PHE 236 Ca -0.02 -0.27 -0.32 0.00 -0.05 0.00 0.00 57.45 56.79 3iof n PHE 236 Cb 0.18 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 3iof n PHE 236 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iof s ALA 237 N -0.88 3.20 -0.73 4.37 0.00 -0.71 -4.25 121.76 122.76 3iof s ALA 237 Ca 0.15 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.12 3iof s ALA 237 Cb 0.09 -2.92 0.19 0.00 0.00 0.00 0.00 23.12 20.48 3iof s ALA 237 CO 0.12 0.14 0.66 0.34 0.00 0.00 0.00 175.76 177.02 3iof s ASP 238 N -2.50 6.42 0.16 0.00 -1.08 -0.31 -4.96 116.67 114.41 3iof s ASP 238 Ca 0.57 -2.52 -0.13 0.00 -0.52 0.00 0.00 52.55 49.95 3iof s ASP 238 Cb -0.10 -2.15 0.06 0.00 -1.46 0.00 0.00 42.92 39.26 3iof s ASP 238 CO 0.20 -0.60 1.73 0.58 0.52 0.00 0.00 175.17 177.60 3iof h VAL 239 N 5.10 1.22 -0.23 1.11 2.07 -1.86 -0.09 116.25 123.57 3iof h VAL 239 Ca 0.01 -0.65 -0.14 0.00 0.82 0.00 0.00 66.70 66.73 3iof h VAL 239 Cb 1.04 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 3iof h VAL 239 CO 0.80 0.25 -0.44 0.11 0.02 0.00 0.00 177.57 178.32 3iof h LYS 240 N 0.74 0.58 0.00 1.57 1.57 -1.86 -3.11 116.57 116.05 3iof h LYS 240 Ca 0.18 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3iof h LYS 240 Cb 0.18 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3iof h LYS 240 CO -0.02 0.90 -0.42 0.00 -0.57 0.00 0.00 179.45 179.35 3iof h ALA 241 N 1.05 0.87 -0.33 3.86 0.00 -1.80 -3.37 119.26 119.54 3iof h ALA 241 Ca 0.03 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.63 3iof h ALA 241 Cb 0.95 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 3iof h ALA 241 CO 0.09 0.52 -0.29 -0.92 0.00 0.00 0.00 179.25 178.65 3iof h TYR 242 N 0.00 -0.78 0.00 0.00 -0.00 -0.94 0.54 116.97 115.78 3iof h TYR 242 Ca -0.00 0.05 -0.06 0.00 -0.00 0.00 0.00 58.73 58.71 3iof h TYR 242 Cb 1.07 0.39 -0.01 0.00 -0.00 0.00 0.00 36.73 38.19 3iof h TYR 242 CO 0.00 -0.36 -0.30 -1.00 -0.00 0.00 0.00 178.16 176.50 3iof h PRO 243 N -0.25 0.00 -0.51 1.82 0.13 -1.74 -1.26 132.00 130.18 3iof h PRO 243 Ca 0.16 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.20 3iof h PRO 243 Cb 0.51 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 3iof h PRO 243 CO -0.47 0.30 -0.02 1.96 -0.23 0.00 0.00 178.00 179.54 3iof h GLN 244 N 0.00 0.88 -0.43 0.86 4.20 -1.22 0.70 115.11 120.10 3iof h GLN 244 Ca -0.00 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 3iof h GLN 244 Cb 0.63 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3iof h GLN 244 CO 0.04 0.89 0.08 1.15 -0.67 0.00 0.00 178.83 180.32 3iof h THR 245 N 0.81 1.24 -0.39 -0.54 2.02 -0.46 -0.18 112.91 115.41 3iof h THR 245 Ca 0.15 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 3iof h THR 245 Cb 0.52 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3iof h THR 245 CO 0.03 0.30 0.08 -0.07 0.37 0.00 0.00 175.52 176.22 3iof h LEU 246 N 0.56 0.53 -0.45 2.58 3.38 -0.92 -0.27 115.31 120.73 3iof h LEU 246 Ca 0.13 -0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3iof h LEU 246 Cb 0.36 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3iof h LEU 246 CO 0.01 0.55 -0.60 -0.33 0.09 0.00 0.00 178.44 178.16 3iof h GLU 247 N 0.56 0.58 -0.83 1.13 4.39 -0.71 -1.18 114.58 118.54 3iof h GLU 247 Ca 0.13 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3iof h GLU 247 Cb 0.25 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 3iof h GLU 247 CO -0.00 1.01 0.52 0.00 -1.16 0.00 0.00 179.01 179.38 3iof h ARG 248 N 0.44 1.11 0.17 2.33 3.08 -0.55 -0.64 114.38 120.30 3iof h ARG 248 Ca -0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3iof h ARG 248 Cb 1.16 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 3iof h ARG 248 CO 0.11 0.76 -0.10 1.25 -1.07 0.00 0.00 179.97 180.92 3iof h LEU 249 N 1.13 -0.26 -1.42 3.04 5.85 -0.88 -2.91 115.31 119.85 3iof h LEU 249 Ca 0.30 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 3iof h LEU 249 Cb -0.09 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3iof h LEU 249 CO -0.06 -0.17 0.11 0.11 -0.34 0.00 0.00 178.44 178.09 3iof h LYS 250 N -0.26 0.50 0.00 1.25 1.57 -0.96 -1.61 116.57 117.05 3iof h LYS 250 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3iof h LYS 250 Cb 0.22 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3iof h LYS 250 CO 0.01 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.33 3iof h ALA 251 N 1.63 1.00 0.00 3.86 0.00 -0.92 -1.29 119.26 123.54 3iof h ALA 251 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iof h ALA 251 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iof h ALA 251 CO -0.01 0.00 0.00 0.52 0.00 0.00 0.00 179.25 179.76 3iof h MET 252 N 0.00 0.00 -6.25 0.00 2.86 -1.19 -3.47 114.93 106.88 3iof h MET 252 Ca 0.00 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.18 3iof h MET 252 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3iof h MET 252 CO 0.00 0.00 -0.78 1.63 1.06 0.00 0.00 176.91 178.82 3iof n LYS 253 N -2.80 -5.36 -2.17 1.72 4.76 -0.49 -4.93 118.16 108.89 3iof n LYS 253 Ca 0.01 0.60 -0.41 0.00 -2.87 0.00 0.00 58.31 55.64 3iof n LYS 253 Cb 0.25 -5.40 -0.03 0.00 -1.84 0.00 0.00 35.03 28.02 3iof n LYS 253 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3iof s LEU 254 N -7.14 4.42 -0.13 -0.35 1.43 -1.26 -4.94 118.68 110.71 3iof s LEU 254 Ca 0.49 2.52 -0.29 0.00 -1.03 0.00 0.00 54.13 55.81 3iof s LEU 254 Cb -0.24 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 3iof s LEU 254 CO 0.83 -0.54 1.82 -2.84 0.23 0.00 0.00 176.35 175.85 3iof s PRO 255 N -0.67 3.81 -0.11 1.29 0.02 -1.26 -4.96 135.00 133.11 3iof s PRO 255 Ca 0.54 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.60 3iof s PRO 255 Cb -0.38 -4.12 0.03 0.00 0.02 0.00 0.00 34.50 30.04 3iof s PRO 255 CO 0.43 -1.30 -0.06 0.42 -0.33 0.00 0.00 177.00 176.16 3iof s ILE 256 N 5.45 0.94 -0.17 2.83 1.01 -1.26 -4.58 121.20 125.41 3iof s ILE 256 Ca 0.81 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.29 3iof s ILE 256 Cb -0.32 -1.00 -0.23 0.00 0.01 0.00 0.00 42.46 40.93 3iof s ILE 256 CO 0.33 0.33 0.16 0.29 0.00 0.00 0.00 174.94 176.05 3iof n LYS 257 N 4.97 0.68 -4.06 2.79 5.02 0.04 -4.65 118.16 122.94 3iof n LYS 257 Ca -0.12 0.14 -0.19 0.00 -2.02 0.00 0.00 58.31 56.13 3iof n LYS 257 Cb 0.50 -1.61 -0.16 0.00 -0.02 0.00 0.00 35.03 33.74 3iof n LYS 257 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iof s THR 258 N -2.53 0.38 -0.16 -0.18 2.01 -0.85 -4.25 115.64 110.07 3iof s THR 258 Ca -0.18 -0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 3iof s THR 258 Cb 0.07 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 3iof s THR 258 CO 0.76 0.19 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.15 3iof s VAL 259 N 0.96 3.87 -0.38 3.82 1.01 -0.13 -0.90 120.40 128.63 3iof s VAL 259 Ca -0.11 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 3iof s VAL 259 Cb -0.14 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.55 3iof s VAL 259 CO -0.01 0.49 0.37 -0.63 0.00 0.00 0.00 175.10 175.32 3iof s ILE 260 N 0.44 5.16 0.40 2.22 -1.09 -0.21 -1.83 121.20 126.29 3iof s ILE 260 Ca -0.04 -0.21 -0.25 0.00 -2.23 0.00 0.00 60.65 57.93 3iof s ILE 260 Cb -0.14 -3.91 -0.09 0.00 -1.58 0.00 0.00 42.46 36.75 3iof s ILE 260 CO 0.03 -0.23 1.10 -0.83 -1.23 0.00 0.00 174.94 173.78 3iof s GLY 261 N 1.75 2.81 0.07 6.18 0.00 -0.35 -3.97 107.32 113.81 3iof s GLY 261 Ca 0.11 0.83 0.26 0.00 0.00 0.00 0.00 44.72 45.92 3iof s GLY 261 CO 0.12 1.30 1.66 0.61 0.00 0.00 0.00 173.10 176.79 3iof n GLY 262 N 0.51 -1.47 3.30 0.20 0.00 0.04 -4.52 105.19 103.26 3iof n GLY 262 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3iof n GLY 262 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iof s HIS 263 N -3.05 1.05 0.00 1.61 3.76 -1.26 -1.09 115.29 116.31 3iof s HIS 263 Ca 0.11 -1.27 0.00 0.00 -0.15 0.00 0.00 55.06 53.75 3iof s HIS 263 Cb 0.16 -0.41 0.00 0.00 1.11 0.00 0.00 32.58 33.44 3iof s HIS 263 CO 0.62 -0.75 0.00 -0.25 -0.85 0.00 0.00 174.74 173.51 3iof n ASP 264 N -0.46 -3.23 -4.72 1.40 8.00 -1.26 -4.42 116.55 111.86 3iof n ASP 264 Ca 0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3iof n ASP 264 Cb 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 3iof n ASP 264 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3iof s SER 265 N -4.00 7.07 0.16 -2.24 0.15 -1.26 -4.87 113.70 108.71 3iof s SER 265 Ca 0.00 2.05 -0.07 0.00 0.70 0.00 0.00 55.95 58.63 3iof s SER 265 Cb 0.00 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3iof s SER 265 CO 0.00 -0.46 1.44 1.55 1.20 0.00 0.00 173.24 176.97 3iof h PRO 266 N 6.61 0.70 -6.23 5.44 0.13 -1.82 -3.42 132.00 133.41 3iof h PRO 266 Ca -0.42 -0.46 -0.59 0.00 -0.87 0.00 0.00 66.00 63.67 3iof h PRO 266 Cb 1.21 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 3iof h PRO 266 CO 0.81 1.08 0.68 -0.51 -0.23 0.00 0.00 178.00 179.82 3iof s LEU 267 N -8.46 3.93 0.19 1.56 1.43 -1.26 -1.21 118.68 114.85 3iof s LEU 267 Ca -0.09 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 3iof s LEU 267 Cb 0.11 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3iof s LEU 267 CO 0.87 -0.96 0.14 -1.00 0.23 0.00 0.00 176.35 175.62 3iof s HIS 289 N 3.71 1.05 0.13 0.29 3.76 -0.76 -5.01 115.29 118.47 3iof s HIS 289 Ca 0.40 -1.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.00 3iof s HIS 289 Cb -0.11 -0.50 0.03 0.00 1.11 0.00 0.00 32.58 33.11 3iof s HIS 289 CO 0.22 -0.64 0.18 0.41 -0.85 0.00 0.00 174.74 174.06 3iof n GLY 290 N -0.24 0.80 0.31 -2.22 0.00 -1.26 -0.96 105.19 101.62 3iof n GLY 290 Ca 0.00 -1.98 0.17 0.00 0.00 0.00 0.00 46.02 44.21 3iof n GLY 290 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iof h PRO 291 N 0.00 0.00 0.00 1.61 0.11 -1.83 -2.47 132.00 129.42 3iof h PRO 291 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3iof h PRO 291 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3iof h PRO 291 CO 0.06 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.24 3iof n GLU 292 N -3.70 0.15 0.02 1.05 4.71 -1.26 -1.88 120.64 119.73 3iof n GLU 292 Ca -0.02 0.49 0.10 0.00 -0.01 0.00 0.00 57.16 57.72 3iof n GLU 292 Cb 0.12 -1.85 0.53 0.00 -1.01 0.00 0.00 31.44 29.24 3iof n GLU 292 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3iof h LEU 293 N 0.00 0.28 0.04 -4.62 5.85 -1.82 0.82 115.31 115.86 3iof h LEU 293 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3iof h LEU 293 Cb 0.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3iof h LEU 293 CO 0.00 0.18 -0.02 0.40 -0.34 0.00 0.00 178.44 178.66 3iof h ILE 294 N 0.32 0.98 -0.45 4.05 2.04 -1.62 -1.42 117.51 121.41 3iof h ILE 294 Ca 0.18 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 3iof h ILE 294 Cb 0.33 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3iof h ILE 294 CO -0.04 0.02 -0.00 0.44 0.00 0.00 0.00 178.15 178.57 3iof h ASP 295 N -0.09 0.71 0.15 1.72 3.32 -1.51 -0.99 116.42 119.73 3iof h ASP 295 Ca -0.01 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3iof h ASP 295 Cb 0.08 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3iof h ASP 295 CO 0.01 0.78 -0.09 -0.74 -1.72 0.00 0.00 179.24 177.48 3iof h HIS 296 N 0.69 -0.23 -0.38 4.55 2.76 -0.71 -1.59 115.15 120.24 3iof h HIS 296 Ca 0.14 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 3iof h HIS 296 Cb 0.43 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 3iof h HIS 296 CO 0.02 -0.14 -0.26 -0.92 -1.30 0.00 0.00 177.93 175.33 3iof h TYR 297 N -0.23 0.89 -0.67 5.26 3.20 -1.14 -2.52 116.97 121.77 3iof h TYR 297 Ca -0.02 -0.21 0.07 0.00 3.14 0.00 0.00 58.73 61.71 3iof h TYR 297 Cb 0.19 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 3iof h TYR 297 CO -0.08 0.95 0.35 1.49 -1.64 0.00 0.00 178.16 179.23 3iof h GLU 298 N 0.67 0.61 -0.61 1.82 4.81 -1.01 -0.63 114.58 120.24 3iof h GLU 298 Ca 0.09 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3iof h GLU 298 Cb 0.78 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3iof h GLU 298 CO 0.06 0.40 0.04 0.00 -0.73 0.00 0.00 179.01 178.79 3iof h ALA 299 N 1.37 0.82 -0.29 2.92 0.00 -1.10 -1.92 119.26 121.07 3iof h ALA 299 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3iof h ALA 299 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iof h ALA 299 CO -0.22 0.63 0.16 -0.07 0.00 0.00 0.00 179.25 179.75 3iof h LEU 300 N 0.96 0.37 -0.97 0.00 3.38 -0.90 -3.01 115.31 115.14 3iof h LEU 300 Ca 0.18 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3iof h LEU 300 Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3iof h LEU 300 CO 0.02 0.35 -0.41 -0.29 0.09 0.00 0.00 178.44 178.21 3iof h ILE 301 N 0.35 1.01 0.00 1.22 6.09 -1.03 -2.35 117.51 122.80 3iof h ILE 301 Ca 0.10 -1.57 0.00 0.00 -1.37 0.00 0.00 64.86 62.02 3iof h ILE 301 Cb 0.07 1.92 0.00 0.00 0.47 0.00 0.00 36.82 39.28 3iof h ILE 301 CO -0.02 0.40 0.00 0.11 -3.07 0.00 0.00 178.15 175.58 3iof h LYS 302 N 0.00 0.00 -0.02 2.19 1.57 -1.23 -2.63 116.57 116.45 3iof h LYS 302 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iof h LYS 302 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3iof h LYS 302 CO 0.05 0.00 -0.33 0.00 -0.57 0.00 0.00 179.45 178.60 3iof n ALA 303 N -1.91 3.23 -1.61 3.86 0.00 -0.91 -4.84 120.51 118.33 3iof n ALA 303 Ca 0.02 -0.64 -0.31 0.00 0.00 0.00 0.00 53.44 52.51 3iof n ALA 303 Cb 0.28 -0.83 0.06 0.00 0.00 0.00 0.00 19.45 18.96 3iof n ALA 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iof s ALA 304 N -2.35 2.61 0.36 0.00 0.00 -0.99 -4.94 121.76 116.45 3iof s ALA 304 Ca 0.22 -0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.86 3iof s ALA 304 Cb 0.19 -3.14 -0.12 0.00 0.00 0.00 0.00 23.12 20.05 3iof s ALA 304 CO 0.49 -1.31 1.34 -2.30 0.00 0.00 0.00 175.76 173.99 3iof n PRO 305 N -3.17 2.26 -0.99 0.00 -0.02 -1.26 -2.04 135.00 129.78 3iof n PRO 305 Ca 0.07 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3iof n PRO 305 Cb 0.54 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3iof n PRO 305 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3iof n GLN 306 N 0.49 -0.30 0.00 -0.52 6.02 -1.26 -4.96 117.38 116.85 3iof n GLN 306 Ca 0.04 0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.23 3iof n GLN 306 Cb 0.37 -3.28 0.75 0.00 1.02 0.00 0.00 30.24 29.09 3iof n GLN 306 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92