#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iwk s LEU 11 N 0.00 4.13 0.26 1.20 1.02 -1.26 -4.25 118.68 119.78 1iwk s LEU 11 Ca 0.00 0.29 -0.17 0.00 0.02 0.00 0.00 54.13 54.26 1iwk s LEU 11 Cb 0.00 -2.02 -0.08 0.00 0.02 0.00 0.00 46.19 44.10 1iwk s LEU 11 CO 0.00 0.30 0.72 0.00 0.02 0.00 0.00 176.35 177.39 1iwk s ALA 12 N -0.35 3.38 0.26 4.21 0.00 0.04 -5.01 121.76 124.29 1iwk s ALA 12 Ca 0.10 0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.86 1iwk s ALA 12 Cb -0.12 -2.79 -0.13 0.00 0.00 0.00 0.00 23.12 20.09 1iwk s ALA 12 CO 0.01 0.33 1.43 -0.35 0.00 0.00 0.00 175.76 177.19 1iwk n PRO 13 N 0.26 2.18 -1.77 0.00 -0.04 -1.26 -4.82 135.00 129.55 1iwk n PRO 13 Ca 0.00 0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 63.82 1iwk n PRO 13 Cb 0.52 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 1iwk n PRO 13 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1iwk s LEU 14 N -0.15 4.39 0.73 1.53 2.96 -1.26 -4.97 118.68 121.90 1iwk s LEU 14 Ca 0.66 2.70 -0.15 0.00 -0.22 0.00 0.00 54.13 57.12 1iwk s LEU 14 Cb -0.61 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.55 1iwk s LEU 14 CO 0.51 -0.97 1.20 -2.84 -1.32 0.00 0.00 176.35 172.92 1iwk s PRO 15 N 2.58 2.18 0.45 0.98 0.02 -1.26 -4.92 135.00 135.02 1iwk s PRO 15 Ca 0.79 1.72 0.14 0.00 0.02 0.00 0.00 61.00 63.67 1iwk s PRO 15 Cb -0.45 -1.84 1.07 0.00 0.02 0.00 0.00 34.50 33.30 1iwk s PRO 15 CO 0.35 -1.80 2.00 -1.35 -0.33 0.00 0.00 177.00 175.87 1iwk h PRO 16 N -0.30 0.34 -0.01 5.54 0.11 -2.06 -2.80 132.00 132.82 1iwk h PRO 16 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iwk h PRO 16 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1iwk h PRO 16 CO 0.50 0.23 -0.00 -2.39 -0.21 0.00 0.00 178.00 176.12 1iwk n HIS 17 N -4.47 0.00 -3.34 0.65 1.44 -1.26 -4.84 115.22 103.40 1iwk n HIS 17 Ca 0.08 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.38 1iwk n HIS 17 Cb 0.35 -0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.37 1iwk n HIS 17 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1iwk s VAL 18 N -2.01 5.10 0.22 0.61 1.01 -1.06 -4.91 120.40 119.35 1iwk s VAL 18 Ca 0.40 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.10 1iwk s VAL 18 Cb 0.21 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 1iwk s VAL 18 CO 0.35 -0.21 1.64 -2.84 0.00 0.00 0.00 175.10 174.04 1iwk s PRO 19 N 2.16 4.16 0.53 2.72 0.02 -1.26 -4.88 135.00 138.44 1iwk s PRO 19 Ca 0.14 2.52 0.27 0.00 0.02 0.00 0.00 61.00 63.95 1iwk s PRO 19 Cb -0.16 -3.09 1.42 0.00 0.02 0.00 0.00 34.50 32.69 1iwk s PRO 19 CO 0.13 -0.67 1.95 0.93 -0.33 0.00 0.00 177.00 179.00 1iwk h GLU 20 N 6.28 0.02 0.00 5.54 5.08 -1.97 -0.42 114.58 129.12 1iwk h GLU 20 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1iwk h GLU 20 Cb 1.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1iwk h GLU 20 CO 0.90 0.01 0.00 -2.39 -1.00 0.00 0.00 179.01 176.53 1iwk n HIS 21 N -4.34 0.04 0.60 4.33 1.44 -1.26 -2.78 115.22 113.25 1iwk n HIS 21 Ca 0.14 0.01 0.10 0.00 -2.01 0.00 0.00 57.72 55.96 1iwk n HIS 21 Cb 0.75 -0.52 0.27 0.00 0.12 0.00 0.00 29.99 30.61 1iwk n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1iwk n LEU 22 N -1.53 2.69 -4.73 2.39 4.77 -0.17 -4.93 117.00 115.49 1iwk n LEU 22 Ca 0.06 -1.22 -0.40 0.00 -0.03 0.00 0.00 56.01 54.43 1iwk n LEU 22 Cb 0.31 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1iwk n LEU 22 CO 0.25 0.61 0.43 -0.69 -1.33 0.00 0.00 177.39 176.66 1iwk s VAL 23 N -1.52 4.89 -0.26 4.08 1.01 -1.12 -0.87 120.40 126.61 1iwk s VAL 23 Ca 0.36 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 1iwk s VAL 23 Cb 0.20 -4.08 0.14 0.00 0.00 0.00 0.00 36.38 32.64 1iwk s VAL 23 CO 0.27 0.31 0.37 0.12 0.00 0.00 0.00 175.10 176.18 1iwk s PHE 24 N 0.35 -0.82 -1.26 5.22 5.36 0.36 -4.90 117.98 122.29 1iwk s PHE 24 Ca 0.38 0.56 -0.19 0.00 -0.96 0.00 0.00 56.93 56.72 1iwk s PHE 24 Cb -0.19 -0.09 0.05 0.00 -0.34 0.00 0.00 43.02 42.44 1iwk s PHE 24 CO 0.21 -0.81 1.74 -0.51 -1.46 0.00 0.00 175.22 174.39 1iwk s ASP 25 N 2.52 6.56 -0.17 6.13 -0.00 -1.26 -3.57 116.67 126.88 1iwk s ASP 25 Ca 0.11 -2.25 -0.10 0.00 -0.00 0.00 0.00 52.55 50.31 1iwk s ASP 25 Cb -0.14 -2.58 -0.05 0.00 -0.00 0.00 0.00 42.92 40.15 1iwk s ASP 25 CO -0.22 -1.46 0.17 0.12 -0.00 0.00 0.00 175.17 173.78 1iwk s PHE 26 N 5.23 3.47 -0.42 4.23 5.36 -1.26 -4.94 117.98 129.65 1iwk s PHE 26 Ca 0.55 0.44 -0.07 0.00 -0.96 0.00 0.00 56.93 56.89 1iwk s PHE 26 Cb 0.03 -2.15 0.10 0.00 -0.34 0.00 0.00 43.02 40.65 1iwk s PHE 26 CO 0.07 0.39 0.26 0.34 -1.46 0.00 0.00 175.22 174.81 1iwk s ASP 27 N 0.04 5.53 0.51 6.13 -1.08 -1.26 -4.58 116.67 121.96 1iwk s ASP 27 Ca 0.11 -1.73 0.32 0.00 -0.52 0.00 0.00 52.55 50.74 1iwk s ASP 27 Cb -0.12 -1.94 1.74 0.00 -1.46 0.00 0.00 42.92 41.14 1iwk s ASP 27 CO 0.01 -0.57 1.97 0.00 0.52 0.00 0.00 175.17 177.10 1iwk h MET 28 N 8.31 0.00 0.00 4.34 -0.00 -1.97 -0.80 114.93 124.82 1iwk h MET 28 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1iwk h MET 28 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.67 1iwk h MET 28 CO 0.76 0.00 -1.00 0.66 -0.00 0.00 0.00 176.91 177.33 1iwk n TYR 29 N -2.66 0.05 -2.79 -0.10 4.02 -1.26 -3.17 117.16 111.26 1iwk n TYR 29 Ca -0.02 0.02 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 1iwk n TYR 29 Cb 0.11 -0.18 0.05 0.00 -0.02 0.00 0.00 39.34 39.30 1iwk n TYR 29 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1iwk n ASN 30 N -1.66 -2.42 -4.72 7.72 4.05 -0.43 -4.54 115.26 113.26 1iwk n ASN 30 Ca 0.03 -3.38 -0.35 0.00 0.45 0.00 0.00 54.58 51.33 1iwk n ASN 30 Cb 0.37 1.63 0.09 0.00 1.23 0.00 0.00 39.78 43.10 1iwk n ASN 30 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1iwk s PRO 31 N 0.35 2.21 0.07 1.20 0.04 -0.48 -4.63 135.00 133.77 1iwk s PRO 31 Ca 0.29 1.85 -0.35 0.00 0.04 0.00 0.00 61.00 62.83 1iwk s PRO 31 Cb 0.25 -1.83 -0.18 0.00 0.04 0.00 0.00 34.50 32.77 1iwk s PRO 31 CO -0.17 -1.80 1.59 0.77 0.04 0.00 0.00 177.00 177.42 1iwk h SER 32 N -0.09 -1.10 -0.38 6.66 0.02 -1.87 -3.21 113.55 113.57 1iwk h SER 32 Ca -0.48 0.06 -0.24 0.00 -0.84 0.00 0.00 61.79 60.29 1iwk h SER 32 Cb 1.31 0.32 -0.11 0.00 0.14 0.00 0.00 62.40 64.06 1iwk h SER 32 CO 0.50 -0.67 0.31 0.59 -1.14 0.00 0.00 176.83 176.42 1iwk n ASN 33 N -5.57 5.17 -0.24 3.07 3.02 -1.26 -4.56 115.26 114.89 1iwk n ASN 33 Ca -0.14 -2.82 0.20 0.00 -0.03 0.00 0.00 54.58 51.79 1iwk n ASN 33 Cb 0.45 -0.91 0.52 0.00 -0.61 0.00 0.00 39.78 39.23 1iwk n ASN 33 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1iwk h LEU 34 N 2.03 0.39 -1.85 3.41 5.85 -1.81 -0.99 115.31 122.34 1iwk h LEU 34 Ca 0.24 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.17 1iwk h LEU 34 Cb 1.22 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1iwk h LEU 34 CO 0.54 0.15 0.46 0.28 -0.34 0.00 0.00 178.44 179.54 1iwk h SER 35 N 0.39 0.14 0.58 1.25 0.02 -1.90 0.50 113.55 114.53 1iwk h SER 35 Ca 0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1iwk h SER 35 Cb 1.21 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1iwk h SER 35 CO -0.18 0.07 -0.05 0.00 -1.14 0.00 0.00 176.83 175.53 1iwk n ALA 36 N -2.61 2.59 0.00 3.77 0.00 -0.38 -4.99 120.51 118.89 1iwk n ALA 36 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1iwk n ALA 36 Cb 0.63 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1iwk n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwk n GLY 37 N 1.33 3.71 0.27 0.00 0.00 0.17 -4.73 105.19 105.94 1iwk n GLY 37 Ca 0.13 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.54 1iwk n GLY 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1iwk h VAL 38 N 0.27 1.25 -0.50 1.61 3.04 -1.89 -0.33 116.25 119.71 1iwk h VAL 38 Ca 0.00 -0.90 -0.01 0.00 -1.01 0.00 0.00 66.70 64.78 1iwk h VAL 38 Cb 0.00 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 30.01 1iwk h VAL 38 CO 0.00 0.33 0.29 1.56 -1.01 0.00 0.00 177.57 178.74 1iwk h GLN 39 N 0.81 0.69 -0.90 4.17 7.50 -1.92 -1.38 115.11 124.08 1iwk h GLN 39 Ca 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 58.65 59.24 1iwk h GLN 39 Cb 0.36 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 27.71 1iwk h GLN 39 CO 0.00 0.52 0.49 0.93 -1.50 0.00 0.00 178.83 179.27 1iwk h GLU 40 N 0.67 1.26 -0.89 1.46 3.07 -1.80 -1.23 114.58 117.11 1iwk h GLU 40 Ca 0.18 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1iwk h GLU 40 Cb 0.02 -0.25 -0.04 0.00 -0.84 0.00 0.00 28.75 27.64 1iwk h GLU 40 CO -0.03 0.92 0.50 0.00 -1.40 0.00 0.00 179.01 179.00 1iwk h ALA 41 N 1.27 1.20 0.01 3.43 0.00 -0.44 -2.73 119.26 122.00 1iwk h ALA 41 Ca 0.32 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1iwk h ALA 41 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1iwk h ALA 41 CO -0.05 0.65 -0.87 -1.49 0.00 0.00 0.00 179.25 177.49 1iwk h TRP 42 N 1.25 0.20 0.00 0.00 4.06 -0.91 -3.25 115.95 117.29 1iwk h TRP 42 Ca 0.32 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 61.15 1iwk h TRP 42 Cb 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1iwk h TRP 42 CO 0.01 0.93 0.00 0.00 -3.56 0.00 0.00 178.44 175.82 1iwk n ALA 43 N -2.44 1.21 0.27 1.49 0.00 -0.50 -1.83 120.51 118.73 1iwk n ALA 43 Ca -0.03 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.56 1iwk n ALA 43 Cb 0.81 -1.10 0.77 0.00 0.00 0.00 0.00 19.45 19.92 1iwk n ALA 43 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1iwk h VAL 44 N 0.00 0.41 0.00 0.00 -1.51 -1.59 -0.62 116.25 112.93 1iwk h VAL 44 Ca 0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1iwk h VAL 44 Cb 0.08 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1iwk h VAL 44 CO 0.00 0.09 0.00 0.18 -1.23 0.00 0.00 177.57 176.61 1iwk n LEU 45 N -3.47 0.00 -1.10 4.19 4.77 -0.76 -2.20 117.00 118.43 1iwk n LEU 45 Ca -0.01 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.52 1iwk n LEU 45 Cb 0.24 -0.47 0.27 0.00 -2.33 0.00 0.00 43.42 41.12 1iwk n LEU 45 CO 0.28 -0.26 0.73 0.00 -1.33 0.00 0.00 177.39 176.82 1iwk n GLN 46 N -1.47 3.24 -1.52 3.23 6.02 -0.24 -4.80 117.38 121.84 1iwk n GLN 46 Ca 0.04 -2.61 -0.31 0.00 -0.01 0.00 0.00 57.00 54.10 1iwk n GLN 46 Cb 0.15 -1.68 0.06 0.00 1.02 0.00 0.00 30.24 29.79 1iwk n GLN 46 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1iwk s GLU 47 N -1.81 2.70 0.46 -1.09 0.41 -0.93 -4.93 118.70 113.50 1iwk s GLU 47 Ca 0.40 1.10 0.14 0.00 -0.41 0.00 0.00 54.97 56.20 1iwk s GLU 47 Cb 0.26 -1.96 1.08 0.00 -1.78 0.00 0.00 34.13 31.74 1iwk s GLU 47 CO 0.18 -1.29 2.03 0.66 -0.49 0.00 0.00 175.26 176.34 1iwk h SER 48 N -0.69 0.28 0.00 -0.19 4.64 -1.94 -1.89 113.55 113.77 1iwk h SER 48 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1iwk h SER 48 Cb 1.22 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1iwk h SER 48 CO 0.54 0.18 0.00 -0.46 -0.87 0.00 0.00 176.83 176.23 1iwk n ASN 49 N -4.47 0.00 -4.35 4.97 2.04 -1.26 -4.75 115.26 107.44 1iwk n ASN 49 Ca 0.06 -0.86 -0.35 0.00 -0.44 0.00 0.00 54.58 52.99 1iwk n ASN 49 Cb 0.29 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.41 1iwk n ASN 49 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1iwk s VAL 50 N -2.00 3.48 1.02 3.53 1.01 -0.71 -5.10 120.40 121.63 1iwk s VAL 50 Ca 0.40 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1iwk s VAL 50 Cb 0.19 -2.57 0.20 0.00 0.00 0.00 0.00 36.38 34.20 1iwk s VAL 50 CO 0.31 0.44 1.10 -2.84 0.00 0.00 0.00 175.10 174.11 1iwk s PRO 51 N 1.22 0.22 0.38 2.72 0.02 -1.26 -4.80 135.00 133.49 1iwk s PRO 51 Ca 0.03 1.32 0.08 0.00 0.02 0.00 0.00 61.00 62.45 1iwk s PRO 51 Cb -0.14 -1.65 0.76 0.00 0.02 0.00 0.00 34.50 33.48 1iwk s PRO 51 CO -0.01 -3.10 1.92 -0.44 -0.33 0.00 0.00 177.00 175.04 1iwk h ASP 52 N -2.20 0.30 -3.25 2.53 3.45 -1.95 -3.40 116.42 111.90 1iwk h ASP 52 Ca -0.50 -0.05 -0.57 0.00 0.43 0.00 0.00 57.03 56.34 1iwk h ASP 52 Cb 1.29 -0.08 -0.37 0.00 -0.56 0.00 0.00 39.33 39.62 1iwk h ASP 52 CO 0.44 0.41 -0.81 -0.22 -1.57 0.00 0.00 179.24 177.49 1iwk s LEU 53 N -8.90 1.64 0.40 1.55 2.96 -1.26 -0.21 118.68 114.86 1iwk s LEU 53 Ca -0.06 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.33 1iwk s LEU 53 Cb 0.16 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 1iwk s LEU 53 CO 0.74 -0.13 0.04 0.68 -1.32 0.00 0.00 176.35 176.36 1iwk s VAL 54 N 1.57 1.39 -0.06 1.68 -7.23 -0.56 -4.95 120.40 112.24 1iwk s VAL 54 Ca 0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1iwk s VAL 54 Cb -0.14 -2.68 0.01 0.00 0.56 0.00 0.00 36.38 34.13 1iwk s VAL 54 CO -0.09 0.00 -0.14 0.86 -0.31 0.00 0.00 175.10 175.43 1iwk s TRP 55 N -3.00 1.56 0.09 2.82 -0.11 -0.05 -0.42 118.94 119.83 1iwk s TRP 55 Ca 0.28 -0.55 0.06 0.00 1.22 0.00 0.00 56.10 57.11 1iwk s TRP 55 Cb 0.07 -1.11 -0.04 0.00 -1.50 0.00 0.00 33.47 30.89 1iwk s TRP 55 CO 0.14 -0.26 -0.09 -0.08 -4.62 0.00 0.00 176.95 172.04 1iwk s THR 56 N 0.52 3.46 -2.82 5.86 -1.32 -0.32 -0.48 115.64 120.53 1iwk s THR 56 Ca -0.13 -1.18 0.24 0.00 -1.21 0.00 0.00 61.69 59.41 1iwk s THR 56 Cb -0.15 -2.61 0.21 0.00 -1.51 0.00 0.00 72.50 68.44 1iwk s THR 56 CO 0.04 0.15 1.30 0.54 -2.21 0.00 0.00 174.62 174.44 1iwk n ARG 57 N 0.79 2.11 -1.71 7.08 1.74 -1.26 -1.87 116.66 123.55 1iwk n ARG 57 Ca -0.13 -1.70 -0.31 0.00 -0.77 0.00 0.00 57.85 54.94 1iwk n ARG 57 Cb 0.52 -1.46 0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1iwk n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iwk n ASN 59 N -3.05 -3.15 0.00 0.00 5.03 -1.26 -1.47 115.26 111.36 1iwk n ASN 59 Ca 0.07 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.52 1iwk n ASN 59 Cb 0.55 -2.84 0.00 0.00 -1.02 0.00 0.00 39.78 36.47 1iwk n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iwk n GLY 60 N -1.47 1.69 0.23 7.41 0.00 -1.26 -4.59 105.19 107.20 1iwk n GLY 60 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1iwk n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iwk n GLY 61 N -2.00 -0.72 3.64 -0.02 0.00 -0.54 -4.88 105.19 100.67 1iwk n GLY 61 Ca 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1iwk n GLY 61 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1iwk s HIS 62 N 0.00 -0.29 0.54 1.61 -3.43 -0.78 -4.78 115.29 108.15 1iwk s HIS 62 Ca 0.00 0.02 -0.05 0.00 -0.80 0.00 0.00 55.06 54.23 1iwk s HIS 62 Cb 0.00 0.61 -0.01 0.00 -1.43 0.00 0.00 32.58 31.76 1iwk s HIS 62 CO 0.00 -0.85 0.83 -1.58 -2.00 0.00 0.00 174.74 171.14 1iwk s TRP 63 N -3.49 3.33 -0.12 0.38 0.52 -0.46 -1.18 118.94 117.93 1iwk s TRP 63 Ca 0.08 0.62 -0.05 0.00 0.02 0.00 0.00 56.10 56.77 1iwk s TRP 63 Cb -0.02 -2.55 0.06 0.00 -1.15 0.00 0.00 33.47 29.80 1iwk s TRP 63 CO -0.03 -0.60 0.25 0.42 0.02 0.00 0.00 176.95 177.00 1iwk s ILE 64 N -2.85 -0.32 -0.14 2.03 1.01 0.44 -0.85 121.20 120.52 1iwk s ILE 64 Ca 0.51 0.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.22 1iwk s ILE 64 Cb -0.10 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 1iwk s ILE 64 CO 0.44 0.11 0.58 0.00 0.00 0.00 0.00 174.94 176.07 1iwk s ALA 65 N 2.15 3.47 -2.73 9.38 0.00 -0.83 -1.50 121.76 131.70 1iwk s ALA 65 Ca -0.01 -0.17 0.22 0.00 0.00 0.00 0.00 51.96 52.00 1iwk s ALA 65 Cb -0.12 -2.84 0.21 0.00 0.00 0.00 0.00 23.12 20.38 1iwk s ALA 65 CO -0.08 -0.25 1.24 0.25 0.00 0.00 0.00 175.76 176.91 1iwk n THR 66 N 4.13 0.08 -4.66 0.00 -2.24 0.71 -4.47 114.28 107.82 1iwk n THR 66 Ca -0.04 -0.54 -0.27 0.00 -2.27 0.00 0.00 64.05 60.93 1iwk n THR 66 Cb 0.51 1.39 -0.14 0.00 -2.10 0.00 0.00 70.33 69.99 1iwk n THR 66 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1iwk s ARG 67 N -1.80 1.50 0.24 -0.78 1.81 -1.26 -4.78 118.95 113.88 1iwk s ARG 67 Ca 0.28 -1.08 -0.05 0.00 -1.72 0.00 0.00 55.73 53.16 1iwk s ARG 67 Cb 0.19 -1.71 0.40 0.00 -0.45 0.00 0.00 34.95 33.39 1iwk s ARG 67 CO 0.28 0.43 1.77 0.78 -0.68 0.00 0.00 175.30 177.88 1iwk h GLY 68 N 4.62 1.17 0.50 -3.53 0.00 -1.84 -1.02 103.07 102.96 1iwk h GLY 68 Ca -0.45 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 46.71 1iwk h GLY 68 CO 0.43 0.02 -0.02 -1.61 0.00 0.00 0.00 176.54 175.35 1iwk h GLN 69 N 0.60 0.06 -0.24 4.80 4.15 -1.96 -1.17 115.11 121.34 1iwk h GLN 69 Ca 0.39 -0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.72 1iwk h GLN 69 Cb 0.47 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1iwk h GLN 69 CO -0.31 0.04 -0.19 -0.07 -1.93 0.00 0.00 178.83 176.37 1iwk h LEU 70 N 0.06 0.59 -0.52 -2.39 4.07 -1.86 -2.13 115.31 113.13 1iwk h LEU 70 Ca 0.14 -0.45 0.08 0.00 0.08 0.00 0.00 57.88 57.73 1iwk h LEU 70 Cb 0.20 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 41.71 1iwk h LEU 70 CO -0.26 0.91 0.16 0.40 -1.08 0.00 0.00 178.44 178.58 1iwk h ILE 71 N 0.27 0.79 -0.36 1.22 2.04 -0.97 0.29 117.51 120.79 1iwk h ILE 71 Ca 0.05 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1iwk h ILE 71 Cb 0.73 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1iwk h ILE 71 CO 0.05 0.06 0.12 0.03 0.00 0.00 0.00 178.15 178.41 1iwk h ARG 72 N 0.32 0.55 -0.02 2.37 3.08 -1.19 -2.12 114.38 117.38 1iwk h ARG 72 Ca 0.25 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1iwk h ARG 72 Cb 0.30 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1iwk h ARG 72 CO -0.28 0.56 -0.02 0.93 -1.07 0.00 0.00 179.97 180.09 1iwk h GLU 73 N 0.43 -0.02 -0.90 0.04 5.08 -0.68 -1.38 114.58 117.15 1iwk h GLU 73 Ca 0.12 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1iwk h GLU 73 Cb 0.23 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1iwk h GLU 73 CO -0.01 -0.02 0.60 0.00 -1.00 0.00 0.00 179.01 178.58 1iwk h ALA 74 N 1.00 1.40 0.00 3.43 0.00 -0.93 -1.48 119.26 122.68 1iwk h ALA 74 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1iwk h ALA 74 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1iwk h ALA 74 CO -0.04 0.52 -0.19 1.88 0.00 0.00 0.00 179.25 181.42 1iwk h TYR 75 N 1.16 0.00 0.00 0.00 0.05 -0.96 -2.96 116.97 114.26 1iwk h TYR 75 Ca 0.35 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.03 1iwk h TYR 75 Cb -0.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1iwk h TYR 75 CO -0.00 0.19 -0.86 0.93 -1.05 0.00 0.00 178.16 177.37 1iwk h GLU 76 N 0.00 0.00 -3.54 4.88 5.08 -0.38 -3.40 114.58 117.22 1iwk h GLU 76 Ca -0.00 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.56 1iwk h GLU 76 Cb 0.77 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.74 1iwk h GLU 76 CO 0.02 0.29 0.48 -3.47 -1.00 0.00 0.00 179.01 175.33 1iwk n ASP 77 N -3.00 5.57 0.17 1.42 2.03 -0.64 -4.83 116.55 117.27 1iwk n ASP 77 Ca -0.02 -3.06 0.14 0.00 0.52 0.00 0.00 54.79 52.37 1iwk n ASP 77 Cb 0.72 -1.38 0.49 0.00 -0.72 0.00 0.00 41.12 40.23 1iwk n ASP 77 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1iwk h TYR 78 N 6.59 0.00 -0.94 -0.67 -0.00 -1.77 -1.98 116.97 118.20 1iwk h TYR 78 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.90 1iwk h TYR 78 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.54 1iwk h TYR 78 CO 0.76 0.00 0.56 -0.09 -0.00 0.00 0.00 178.16 179.39 1iwk h ARG 79 N 0.00 1.28 0.00 0.10 9.65 -1.94 -3.26 114.38 120.22 1iwk h ARG 79 Ca 0.00 -0.12 -0.37 0.00 -1.10 0.00 0.00 59.98 58.38 1iwk h ARG 79 Cb 0.56 -0.27 -0.07 0.00 -1.39 0.00 0.00 29.97 28.81 1iwk h ARG 79 CO 0.00 0.90 -2.38 0.72 2.80 0.00 0.00 179.97 182.01 1iwk n HIS 80 N -4.35 0.09 -3.66 2.20 8.25 -1.17 -4.69 115.22 111.89 1iwk n HIS 80 Ca 0.10 0.03 -0.39 0.00 -0.26 0.00 0.00 57.72 57.20 1iwk n HIS 80 Cb 0.07 -1.01 -0.10 0.00 1.12 0.00 0.00 29.99 30.06 1iwk n HIS 80 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1iwk s PHE 81 N -2.51 3.49 0.21 4.41 0.08 -0.75 -1.25 117.98 121.66 1iwk s PHE 81 Ca -0.20 -2.09 -0.09 0.00 0.12 0.00 0.00 56.93 54.66 1iwk s PHE 81 Cb 0.07 -3.34 -0.07 0.00 -0.57 0.00 0.00 43.02 39.11 1iwk s PHE 81 CO 0.73 -0.98 0.52 0.45 -0.10 0.00 0.00 175.22 175.84 1iwk s SER 82 N 2.27 6.62 0.11 1.36 0.15 0.41 -4.16 113.70 120.46 1iwk s SER 82 Ca 0.07 0.87 0.27 0.00 0.70 0.00 0.00 55.95 57.86 1iwk s SER 82 Cb -0.25 -2.21 0.94 0.00 -1.71 0.00 0.00 66.02 62.80 1iwk s SER 82 CO -0.02 -0.03 1.79 -1.20 1.20 0.00 0.00 173.24 174.98 1iwk n SER 83 N -0.00 0.47 -0.34 5.45 7.64 -1.26 -1.15 113.62 124.43 1iwk n SER 83 Ca -0.01 0.48 0.22 0.00 1.01 0.00 0.00 58.87 60.58 1iwk n SER 83 Cb 0.52 -0.57 0.45 0.00 -1.01 0.00 0.00 64.21 63.60 1iwk n SER 83 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1iwk h GLU 84 N 0.00 0.38 -2.85 1.43 4.81 -1.81 -3.08 114.58 113.46 1iwk h GLU 84 Ca 0.00 -0.02 -0.61 0.00 -0.13 0.00 0.00 59.36 58.60 1iwk h GLU 84 Cb 0.63 -0.09 -0.40 0.00 0.63 0.00 0.00 28.75 29.52 1iwk h GLU 84 CO 0.00 0.25 -0.73 0.00 -0.73 0.00 0.00 179.01 177.80 1iwk n PRO 86 N 2.57 0.06 -4.12 0.00 -0.04 -1.16 -3.72 135.00 128.58 1iwk n PRO 86 Ca 0.20 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.38 1iwk n PRO 86 Cb 0.39 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.25 1iwk n PRO 86 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1iwk s PHE 87 N -3.03 3.03 -0.03 0.54 2.99 -1.26 -0.38 117.98 119.83 1iwk s PHE 87 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 56.93 57.08 1iwk s PHE 87 Cb 0.17 -1.53 -0.02 0.00 0.00 0.00 0.00 43.02 41.64 1iwk s PHE 87 CO 0.72 0.50 -0.26 0.42 -0.00 0.00 0.00 175.22 176.60 1iwk s ILE 88 N -1.43 2.04 0.81 0.64 1.01 -1.26 -2.99 121.20 120.03 1iwk s ILE 88 Ca 0.27 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 1iwk s ILE 88 Cb -0.11 -1.71 0.08 0.00 0.01 0.00 0.00 42.46 40.73 1iwk s ILE 88 CO 0.20 0.58 1.09 -2.16 0.00 0.00 0.00 174.94 174.64 1iwk s PRO 89 N -0.46 1.96 0.35 2.79 0.04 -1.26 -4.89 135.00 133.51 1iwk s PRO 89 Ca 0.06 0.97 0.15 0.00 0.04 0.00 0.00 61.00 62.22 1iwk s PRO 89 Cb -0.11 -1.88 1.14 0.00 0.04 0.00 0.00 34.50 33.69 1iwk s PRO 89 CO 0.01 -1.80 1.63 -0.09 0.04 0.00 0.00 177.00 176.79 1iwk h ARG 90 N -1.23 0.18 -0.78 4.56 2.43 -1.84 0.16 114.38 117.86 1iwk h ARG 90 Ca -0.46 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 58.77 1iwk h ARG 90 Cb 1.25 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 1iwk h ARG 90 CO 0.54 0.12 0.45 0.93 -1.51 0.00 0.00 179.97 180.50 1iwk h GLU 91 N 0.19 0.77 -0.01 0.20 3.07 -1.97 0.15 114.58 116.98 1iwk h GLU 91 Ca 0.76 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.57 1iwk h GLU 91 Cb 1.82 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.55 1iwk h GLU 91 CO -0.68 0.51 -0.00 0.00 -1.40 0.00 0.00 179.01 177.43 1iwk h ALA 92 N 1.41 0.01 -0.35 3.43 0.00 -0.99 -2.36 119.26 120.41 1iwk h ALA 92 Ca 0.36 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1iwk h ALA 92 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1iwk h ALA 92 CO -0.21 -0.27 0.24 0.78 0.00 0.00 0.00 179.25 179.79 1iwk h GLY 93 N -0.39 0.39 1.30 0.00 0.00 -0.97 0.32 103.07 103.73 1iwk h GLY 93 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 47.33 46.97 1iwk h GLY 93 CO 0.00 0.12 -0.85 0.83 0.00 0.00 0.00 176.54 176.64 1iwk h GLU 94 N 0.34 0.66 0.00 4.80 5.08 -0.67 -3.05 114.58 121.74 1iwk h GLU 94 Ca 0.15 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1iwk h GLU 94 Cb 0.16 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1iwk h GLU 94 CO -0.03 1.21 0.00 0.00 -1.00 0.00 0.00 179.01 179.18 1iwk h ALA 95 N 0.61 1.00 -2.23 3.43 0.00 -0.82 -3.44 119.26 117.81 1iwk h ALA 95 Ca -0.07 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 1iwk h ALA 95 Cb 1.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1iwk h ALA 95 CO 0.17 0.00 1.07 -0.47 0.00 0.00 0.00 179.25 180.02 1iwk s TYR 96 N -3.30 2.09 -0.01 0.00 6.14 0.04 -4.87 117.35 117.44 1iwk s TYR 96 Ca 0.06 0.33 0.02 0.00 0.64 0.00 0.00 57.07 58.12 1iwk s TYR 96 Cb 0.09 -3.87 0.03 0.00 0.42 0.00 0.00 41.96 38.63 1iwk s TYR 96 CO 0.55 -3.51 0.96 -0.40 0.64 0.00 0.00 175.55 173.79 1iwk n ASP 97 N 7.21 0.29 -4.75 4.32 3.85 -1.26 -4.93 116.55 121.28 1iwk n ASP 97 Ca 0.17 -2.00 -0.38 0.00 -0.71 0.00 0.00 54.79 51.87 1iwk n ASP 97 Cb 0.43 -0.20 0.04 0.00 -1.35 0.00 0.00 41.12 40.05 1iwk n ASP 97 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 1iwk s PHE 98 N -0.33 2.30 -0.06 2.11 0.08 -1.26 -4.85 117.98 115.97 1iwk s PHE 98 Ca 0.03 1.42 0.03 0.00 0.12 0.00 0.00 56.93 58.53 1iwk s PHE 98 Cb 0.03 -3.72 -0.03 0.00 -0.57 0.00 0.00 43.02 38.73 1iwk s PHE 98 CO 0.00 -2.74 -0.13 0.42 -0.10 0.00 0.00 175.22 172.67 1iwk s ILE 99 N -1.36 3.18 -2.37 0.64 1.01 -1.06 -1.42 121.20 119.82 1iwk s ILE 99 Ca 0.74 -0.67 0.22 0.00 0.00 0.00 0.00 60.65 60.93 1iwk s ILE 99 Cb -0.38 -2.27 0.44 0.00 0.01 0.00 0.00 42.46 40.26 1iwk s ILE 99 CO 0.44 0.59 1.49 -0.81 0.00 0.00 0.00 174.94 176.65 1iwk n PRO 100 N 2.40 1.99 0.15 2.79 -0.04 -1.26 -4.19 135.00 136.83 1iwk n PRO 100 Ca -0.17 -1.49 0.04 0.00 -0.04 0.00 0.00 63.50 61.83 1iwk n PRO 100 Cb 0.52 -1.43 0.44 0.00 -0.04 0.00 0.00 33.50 32.99 1iwk n PRO 100 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1iwk h THR 101 N 3.00 1.14 0.00 0.52 1.35 -1.96 -2.45 112.91 114.51 1iwk h THR 101 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1iwk h THR 101 Cb 0.66 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1iwk h THR 101 CO 0.00 0.19 0.00 -1.54 -0.25 0.00 0.00 175.52 173.92 1iwk n SER 102 N -4.33 0.00 -4.54 5.36 3.41 -0.51 -4.64 113.62 108.37 1iwk n SER 102 Ca -0.01 -1.10 -0.30 0.00 -0.26 0.00 0.00 58.87 57.21 1iwk n SER 102 Cb 0.23 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 1iwk n SER 102 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1iwk s MET 103 N -2.00 1.99 0.26 4.33 -1.94 -0.92 -3.35 119.30 117.66 1iwk s MET 103 Ca 0.42 -1.09 0.06 0.00 -1.71 0.00 0.00 55.69 53.37 1iwk s MET 103 Cb 0.19 -2.23 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 1iwk s MET 103 CO 0.33 0.50 0.33 -0.51 -0.01 0.00 0.00 175.02 175.66 1iwk s ASP 104 N -2.18 6.07 0.81 3.03 1.01 -1.26 -4.66 116.67 119.49 1iwk s ASP 104 Ca 0.20 -0.05 -0.11 0.00 0.71 0.00 0.00 52.55 53.30 1iwk s ASP 104 Cb -0.11 -1.66 0.08 0.00 1.01 0.00 0.00 42.92 42.23 1iwk s ASP 104 CO 0.12 -0.11 1.09 -2.84 0.21 0.00 0.00 175.17 173.64 1iwk s PRO 105 N -3.97 1.98 0.45 8.23 0.02 -1.26 -1.64 135.00 138.81 1iwk s PRO 105 Ca 0.35 0.97 0.25 0.00 0.02 0.00 0.00 61.00 62.59 1iwk s PRO 105 Cb -0.09 -1.88 0.77 0.00 0.02 0.00 0.00 34.50 33.33 1iwk s PRO 105 CO 0.28 -1.78 1.76 -1.00 -0.33 0.00 0.00 177.00 175.93 1iwk h PRO 106 N -1.22 0.00 -0.65 5.54 0.13 -2.04 -3.44 132.00 130.32 1iwk h PRO 106 Ca -0.46 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1iwk h PRO 106 Cb 1.25 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1iwk h PRO 106 CO 0.54 0.16 -0.12 1.49 -0.23 0.00 0.00 178.00 179.83 1iwk h GLU 107 N 0.00 0.02 -0.79 0.86 4.81 -1.94 -2.29 114.58 115.25 1iwk h GLU 107 Ca -0.00 -0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 1iwk h GLU 107 Cb 0.84 -0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.08 1iwk h GLU 107 CO 0.02 0.02 0.09 0.37 -0.73 0.00 0.00 179.01 178.77 1iwk h GLN 108 N 0.02 0.15 -0.76 1.92 4.15 -1.58 -2.90 115.11 116.12 1iwk h GLN 108 Ca 0.32 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.87 1iwk h GLN 108 Cb 0.50 -0.03 -0.14 0.00 0.21 0.00 0.00 27.48 28.02 1iwk h GLN 108 CO -0.64 0.10 -0.28 -0.09 -1.93 0.00 0.00 178.83 175.99 1iwk h ARG 109 N 0.15 -0.06 -0.23 1.69 2.43 -1.71 -1.00 114.38 115.65 1iwk h ARG 109 Ca 0.45 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.68 1iwk h ARG 109 Cb 0.83 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 1iwk h ARG 109 CO -0.65 -0.04 -0.26 1.96 -1.51 0.00 0.00 179.97 179.48 1iwk h GLN 110 N -0.06 -0.27 -0.39 0.20 1.08 -1.67 -1.21 115.11 112.80 1iwk h GLN 110 Ca 0.32 0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.40 1iwk h GLN 110 Cb 0.57 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1iwk h GLN 110 CO -0.80 -0.18 -0.31 0.74 -0.95 0.00 0.00 178.83 177.34 1iwk h PHE 111 N -0.28 1.00 -0.66 2.96 -1.00 -1.59 -2.99 116.94 114.39 1iwk h PHE 111 Ca 0.13 -0.27 0.10 0.00 2.81 0.00 0.00 57.97 60.75 1iwk h PHE 111 Cb 0.48 -0.22 -0.08 0.00 3.61 0.00 0.00 35.95 39.74 1iwk h PHE 111 CO -0.40 1.05 0.27 -0.22 -1.61 0.00 0.00 178.31 177.40 1iwk h LYS 112 N 0.72 0.44 -0.42 1.51 3.64 -0.72 -1.94 116.57 119.80 1iwk h LYS 112 Ca 0.08 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1iwk h LYS 112 Cb 0.86 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.52 1iwk h LYS 112 CO 0.08 0.29 0.05 0.00 -2.27 0.00 0.00 179.45 177.60 1iwk h ALA 113 N 1.45 0.43 -0.45 5.00 0.00 -1.08 -1.37 119.26 123.25 1iwk h ALA 113 Ca 0.34 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 1iwk h ALA 113 Cb 0.43 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1iwk h ALA 113 CO -0.32 -0.35 -0.05 1.25 0.00 0.00 0.00 179.25 179.78 1iwk h LEU 114 N 0.16 0.82 -0.92 0.00 5.85 -1.40 -2.97 115.31 116.84 1iwk h LEU 114 Ca 0.21 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1iwk h LEU 114 Cb 0.28 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1iwk h LEU 114 CO -0.31 0.95 0.59 0.00 -0.34 0.00 0.00 178.44 179.34 1iwk h ALA 115 N 0.89 1.17 -0.03 1.25 0.00 -1.09 -0.46 119.26 120.98 1iwk h ALA 115 Ca 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1iwk h ALA 115 Cb 0.56 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iwk h ALA 115 CO 0.03 0.59 0.04 -0.97 0.00 0.00 0.00 179.25 178.94 1iwk h ASN 116 N 1.25 0.00 0.65 0.00 -1.24 -1.10 -1.33 115.58 113.81 1iwk h ASN 116 Ca 0.33 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.23 1iwk h ASN 116 Cb -0.11 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 1iwk h ASN 116 CO -0.07 0.00 -0.54 -0.61 -1.29 0.00 0.00 177.43 174.92 1iwk h GLN 117 N 0.00 0.00 0.00 6.67 4.15 -0.96 0.34 115.11 125.31 1iwk h GLN 117 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1iwk h GLN 117 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1iwk h GLN 117 CO -0.00 0.54 -1.06 1.33 -1.93 0.00 0.00 178.83 177.70 1iwk n VAL 118 N -3.76 0.05 -1.17 2.39 0.24 -0.53 -4.49 118.33 111.06 1iwk n VAL 118 Ca -0.01 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1iwk n VAL 118 Cb 0.57 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 1iwk n VAL 118 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1iwk n VAL 119 N -1.74 0.03 -1.15 3.34 0.24 -1.06 -4.92 118.33 113.07 1iwk n VAL 119 Ca 0.03 -0.03 -0.30 0.00 -2.04 0.00 0.00 64.34 61.99 1iwk n VAL 119 Cb 0.39 0.89 0.24 0.00 -1.47 0.00 0.00 33.84 33.90 1iwk n VAL 119 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1iwk s GLY 120 N -0.22 1.61 0.17 7.63 0.00 0.12 -4.63 107.32 111.99 1iwk s GLY 120 Ca 0.00 -1.05 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 1iwk s GLY 120 CO 0.00 -0.14 1.63 1.98 0.00 0.00 0.00 173.10 176.57 1iwk h MET 121 N -2.59 -0.14 -0.69 2.90 4.05 -1.92 -2.21 114.93 114.33 1iwk h MET 121 Ca -0.43 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.09 1iwk h MET 121 Cb 1.28 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 32.07 1iwk h MET 121 CO 0.31 -0.09 0.46 -1.35 0.23 0.00 0.00 176.91 176.47 1iwk h PRO 122 N -0.14 0.54 -0.42 0.39 0.11 -1.93 0.95 132.00 131.50 1iwk h PRO 122 Ca 0.19 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.18 1iwk h PRO 122 Cb 0.44 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1iwk h PRO 122 CO -0.48 0.36 -0.08 0.28 -0.21 0.00 0.00 178.00 177.87 1iwk h VAL 123 N 0.56 1.27 -0.40 3.15 2.07 -1.75 -1.15 116.25 120.01 1iwk h VAL 123 Ca 0.32 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1iwk h VAL 123 Cb 0.50 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1iwk h VAL 123 CO -0.11 0.40 0.17 0.58 0.02 0.00 0.00 177.57 178.63 1iwk h VAL 124 N 0.63 1.19 -0.79 2.57 2.07 -0.77 -0.94 116.25 120.22 1iwk h VAL 124 Ca 0.11 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1iwk h VAL 124 Cb 0.61 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1iwk h VAL 124 CO 0.04 0.21 0.52 0.44 0.02 0.00 0.00 177.57 178.79 1iwk h ASP 125 N 0.50 0.79 0.08 0.57 3.45 -0.71 -0.00 116.42 121.10 1iwk h ASP 125 Ca 0.13 -0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.45 1iwk h ASP 125 Cb 0.17 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1iwk h ASP 125 CO -0.01 0.53 -0.48 0.50 -1.57 0.00 0.00 179.24 178.21 1iwk h LYS 126 N 0.91 0.46 -0.01 3.56 3.64 -0.59 -3.20 116.57 121.34 1iwk h LYS 126 Ca 0.32 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1iwk h LYS 126 Cb 0.13 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1iwk h LYS 126 CO -0.10 0.84 -0.17 1.28 -2.27 0.00 0.00 179.45 179.03 1iwk n LEU 127 N -3.99 1.31 -0.18 5.20 4.77 -0.42 -4.55 117.00 119.15 1iwk n LEU 127 Ca -0.02 -0.39 -0.10 0.00 -0.03 0.00 0.00 56.01 55.46 1iwk n LEU 127 Cb 0.55 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1iwk n LEU 127 CO 0.45 0.23 0.49 -0.33 -1.33 0.00 0.00 177.39 176.91 1iwk h GLU 128 N 1.79 -0.21 -0.91 3.23 4.39 -1.03 -0.19 114.58 121.65 1iwk h GLU 128 Ca 0.00 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.90 1iwk h GLU 128 Cb 0.53 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.16 1iwk h GLU 128 CO 0.00 -0.14 0.59 -0.91 -1.16 0.00 0.00 179.01 177.39 1iwk h ASN 129 N -0.22 0.49 -0.21 1.42 -0.26 -1.83 0.50 115.58 115.47 1iwk h ASN 129 Ca 0.08 0.05 -0.20 0.00 -0.56 0.00 0.00 56.30 55.67 1iwk h ASN 129 Cb 0.43 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1iwk h ASN 129 CO -0.57 0.21 -0.64 -0.09 -1.06 0.00 0.00 177.43 175.28 1iwk h ARG 130 N 0.50 0.83 -0.51 0.81 9.65 -1.49 -0.78 114.38 123.39 1iwk h ARG 130 Ca 0.47 -0.58 -0.04 0.00 -1.10 0.00 0.00 59.98 58.73 1iwk h ARG 130 Cb 1.05 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 1iwk h ARG 130 CO -0.20 1.20 0.16 0.82 2.80 0.00 0.00 179.97 184.75 1iwk h ILE 131 N 0.61 1.23 -0.59 1.20 2.04 0.57 -1.21 117.51 121.36 1iwk h ILE 131 Ca -0.01 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 1iwk h ILE 131 Cb 1.26 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1iwk h ILE 131 CO 0.14 0.28 0.07 -0.61 0.00 0.00 0.00 178.15 178.03 1iwk h GLN 132 N 0.69 0.98 -0.12 2.37 5.75 -0.92 -2.17 115.11 121.68 1iwk h GLN 132 Ca 0.16 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1iwk h GLN 132 Cb 0.27 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1iwk h GLN 132 CO -0.01 0.92 0.02 1.49 -2.65 0.00 0.00 178.83 178.60 1iwk h GLU 133 N 0.92 0.20 -0.64 1.69 4.81 -0.80 -2.20 114.58 118.55 1iwk h GLU 133 Ca 0.18 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1iwk h GLU 133 Cb 0.43 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1iwk h GLU 133 CO 0.01 0.41 0.22 1.25 -0.73 0.00 0.00 179.01 180.17 1iwk h LEU 134 N -0.03 0.93 0.32 1.64 5.85 -1.17 -0.60 115.31 122.24 1iwk h LEU 134 Ca 0.04 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1iwk h LEU 134 Cb 0.30 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1iwk h LEU 134 CO 0.00 0.88 -0.19 0.00 -0.34 0.00 0.00 178.44 178.80 1iwk h ALA 135 N 1.08 -0.47 -0.23 1.25 0.00 -1.38 0.22 119.26 119.75 1iwk h ALA 135 Ca 0.21 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1iwk h ALA 135 Cb 0.27 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1iwk h ALA 135 CO -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 179.25 178.45 1iwk h SER 137 N 0.04 -0.04 -0.23 0.00 0.87 -0.95 -0.01 113.55 113.24 1iwk h SER 137 Ca 0.11 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1iwk h SER 137 Cb 0.15 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1iwk h SER 137 CO -0.20 -0.00 0.04 0.25 -0.53 0.00 0.00 176.83 176.39 1iwk h LEU 138 N 0.04 -0.00 0.09 2.23 5.85 -0.65 -2.29 115.31 120.57 1iwk h LEU 138 Ca 0.05 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1iwk h LEU 138 Cb 0.05 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1iwk h LEU 138 CO -0.08 0.03 -0.04 0.40 -0.34 0.00 0.00 178.44 178.40 1iwk h ILE 139 N 0.13 1.07 -0.83 4.05 2.04 -1.04 -2.95 117.51 119.98 1iwk h ILE 139 Ca 0.11 -0.63 0.17 0.00 1.00 0.00 0.00 64.86 65.51 1iwk h ILE 139 Cb 0.11 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1iwk h ILE 139 CO -0.15 0.15 0.55 -0.08 0.00 0.00 0.00 178.15 178.63 1iwk h GLU 140 N -0.41 0.41 0.00 2.37 4.57 -0.94 0.22 114.58 120.80 1iwk h GLU 140 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1iwk h GLU 140 Cb 0.35 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1iwk h GLU 140 CO 0.02 0.27 0.00 0.66 -1.18 0.00 0.00 179.01 178.78 1iwk h SER 141 N 0.42 0.00 0.07 1.04 4.64 -1.25 -3.22 113.55 115.25 1iwk h SER 141 Ca 0.42 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.38 1iwk h SER 141 Cb 1.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.02 1iwk h SER 141 CO -0.15 0.00 -2.30 0.18 -0.87 0.00 0.00 176.83 173.69 1iwk n LEU 142 N -3.06 0.83 -0.33 5.97 4.77 0.52 -4.63 117.00 121.07 1iwk n LEU 142 Ca 0.02 0.04 0.18 0.00 -0.03 0.00 0.00 56.01 56.21 1iwk n LEU 142 Cb 0.37 0.10 0.35 0.00 -2.33 0.00 0.00 43.42 41.90 1iwk n LEU 142 CO 0.29 0.59 0.82 -1.14 -1.33 0.00 0.00 177.39 176.62 1iwk n ARG 143 N -2.92 -0.07 0.13 3.23 0.63 0.24 -0.88 116.66 117.01 1iwk n ARG 143 Ca -0.33 1.42 0.13 0.00 -0.92 0.00 0.00 57.85 58.15 1iwk n ARG 143 Cb 1.11 -2.32 0.37 0.00 0.45 0.00 0.00 32.46 32.07 1iwk n ARG 143 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1iwk h PRO 144 N 0.00 0.00 0.00 -0.14 0.14 -1.82 -3.32 132.00 126.86 1iwk h PRO 144 Ca 0.64 0.00 -0.08 0.00 0.14 0.00 0.00 66.00 66.69 1iwk h PRO 144 Cb 1.41 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.54 1iwk h PRO 144 CO -0.87 0.00 -0.39 1.96 0.14 0.00 0.00 178.00 178.83 1iwk h GLN 145 N 0.00 0.00 0.00 0.86 4.20 -1.30 -3.45 115.11 115.42 1iwk h GLN 145 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1iwk h GLN 145 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1iwk h GLN 145 CO 0.00 0.39 0.00 0.41 -0.67 0.00 0.00 178.83 178.96 1iwk n GLY 146 N -0.16 0.59 3.58 3.46 0.00 -1.25 -4.96 105.19 106.45 1iwk n GLY 146 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 1iwk n GLY 146 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1iwk s GLN 147 N -0.25 0.45 -0.12 1.61 -2.07 -1.26 -0.49 119.66 117.53 1iwk s GLN 147 Ca 0.00 -0.17 -0.33 0.00 -1.82 0.00 0.00 55.36 53.03 1iwk s GLN 147 Cb 0.00 0.20 0.14 0.00 -1.09 0.00 0.00 33.01 32.26 1iwk s GLN 147 CO 0.00 -0.20 1.34 0.00 -1.32 0.00 0.00 175.29 175.11 1iwk s ASN 149 N -2.68 5.85 0.33 0.00 3.04 -1.26 -0.40 114.94 119.82 1iwk s ASN 149 Ca 0.13 -2.38 0.10 0.00 0.04 0.00 0.00 52.86 50.76 1iwk s ASN 149 Cb 0.04 -2.02 0.98 0.00 -1.54 0.00 0.00 41.25 38.70 1iwk s ASN 149 CO -0.05 -0.58 1.63 0.15 -3.04 0.00 0.00 177.10 175.22 1iwk h PHE 150 N 7.89 0.61 -0.41 0.43 3.57 -1.39 -0.26 116.94 127.38 1iwk h PHE 150 Ca -0.08 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1iwk h PHE 150 Cb 1.03 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1iwk h PHE 150 CO 0.76 -0.27 0.18 1.79 -2.23 0.00 0.00 178.31 178.54 1iwk h THR 151 N 0.19 0.94 0.00 4.41 1.35 -1.93 -1.10 112.91 116.77 1iwk h THR 151 Ca 0.68 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 66.38 1iwk h THR 151 Cb 1.55 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1iwk h THR 151 CO -0.69 0.07 -1.32 -1.84 -0.25 0.00 0.00 175.52 171.49 1iwk n GLU 152 N -4.95 0.62 0.10 4.72 0.28 -0.65 -1.68 120.64 119.08 1iwk n GLU 152 Ca 0.02 0.06 0.12 0.00 -0.16 0.00 0.00 57.16 57.20 1iwk n GLU 152 Cb 0.12 -1.75 0.06 0.00 1.43 0.00 0.00 31.44 31.30 1iwk n GLU 152 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1iwk h ASP 153 N 0.00 0.00 0.00 -1.84 3.32 -1.04 -3.40 116.42 113.45 1iwk h ASP 153 Ca -0.03 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1iwk h ASP 153 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1iwk h ASP 153 CO 0.01 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.56 1iwk n TYR 154 N -2.56 -1.81 -0.33 4.55 9.36 -0.71 -4.81 117.16 120.84 1iwk n TYR 154 Ca 0.01 0.36 0.14 0.00 3.32 0.00 0.00 57.90 61.74 1iwk n TYR 154 Cb 0.52 0.94 0.33 0.00 -0.63 0.00 0.00 39.34 40.50 1iwk n TYR 154 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1iwk h ALA 155 N 0.00 1.61 0.00 2.98 0.00 -1.32 -0.69 119.26 121.84 1iwk h ALA 155 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1iwk h ALA 155 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1iwk h ALA 155 CO 0.00 -0.22 -0.21 0.93 0.00 0.00 0.00 179.25 179.75 1iwk h GLU 156 N 0.57 0.00 -0.58 0.00 5.08 -1.55 -3.38 114.58 114.73 1iwk h GLU 156 Ca 0.59 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 59.04 1iwk h GLU 156 Cb 1.05 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 1iwk h GLU 156 CO -0.46 0.06 0.18 -1.00 -1.00 0.00 0.00 179.01 176.80 1iwk h PRO 157 N -1.00 0.34 0.23 2.33 0.13 -1.76 -2.57 132.00 129.69 1iwk h PRO 157 Ca -0.01 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1iwk h PRO 157 Cb 0.25 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1iwk h PRO 157 CO -0.01 0.22 -0.22 0.35 -0.23 0.00 0.00 178.00 178.12 1iwk h PHE 158 N 0.35 -0.61 -0.47 1.56 3.57 -1.33 -0.51 116.94 119.50 1iwk h PHE 158 Ca 0.29 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1iwk h PHE 158 Cb 0.38 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1iwk h PHE 158 CO -0.19 -0.29 -0.08 -1.35 -2.23 0.00 0.00 178.31 174.16 1iwk h PRO 159 N -0.45 0.83 -0.33 6.41 0.11 -1.73 -2.95 132.00 133.89 1iwk h PRO 159 Ca -0.03 -0.27 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 1iwk h PRO 159 Cb 0.38 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1iwk h PRO 159 CO -0.02 0.88 0.08 0.82 -0.21 0.00 0.00 178.00 179.55 1iwk h ILE 160 N 0.75 1.22 -0.74 4.15 2.04 -1.46 -1.82 117.51 121.65 1iwk h ILE 160 Ca 0.13 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1iwk h ILE 160 Cb 0.57 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1iwk h ILE 160 CO 0.04 0.25 0.35 0.03 0.00 0.00 0.00 178.15 178.81 1iwk h ARG 161 N 0.38 1.07 -0.87 2.37 3.08 -1.11 0.92 114.38 120.21 1iwk h ARG 161 Ca 0.10 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1iwk h ARG 161 Cb 0.30 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1iwk h ARG 161 CO 0.00 0.83 0.44 0.82 -1.07 0.00 0.00 179.97 180.99 1iwk h ILE 162 N 1.06 1.26 -0.10 2.04 2.04 -1.33 -0.85 117.51 121.62 1iwk h ILE 162 Ca 0.26 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1iwk h ILE 162 Cb 0.12 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1iwk h ILE 162 CO -0.03 0.31 -0.05 0.15 0.00 0.00 0.00 178.15 178.53 1iwk h PHE 163 N 1.23 0.24 -0.60 1.37 3.57 -0.41 -1.71 116.94 120.63 1iwk h PHE 163 Ca 0.30 -0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.87 1iwk h PHE 163 Cb 0.09 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1iwk h PHE 163 CO 0.01 0.56 0.41 0.52 -2.23 0.00 0.00 178.31 177.58 1iwk h MET 164 N -0.15 0.26 -0.35 1.11 2.86 -0.61 0.29 114.93 118.34 1iwk h MET 164 Ca 0.02 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.54 1iwk h MET 164 Cb 0.49 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1iwk h MET 164 CO 0.01 0.17 -0.21 1.25 1.06 0.00 0.00 176.91 179.20 1iwk h LEU 165 N 0.27 0.78 -0.53 1.22 5.85 -0.85 0.21 115.31 122.27 1iwk h LEU 165 Ca 0.29 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 1iwk h LEU 165 Cb 0.76 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1iwk h LEU 165 CO -0.06 1.04 -0.11 0.25 -0.34 0.00 0.00 178.44 179.21 1iwk h LEU 166 N 0.54 1.02 0.00 2.25 5.85 0.12 -3.04 115.31 122.05 1iwk h LEU 166 Ca 0.07 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1iwk h LEU 166 Cb 0.76 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1iwk h LEU 166 CO 0.06 1.14 -0.20 0.00 -0.34 0.00 0.00 178.44 179.09 1iwk n ALA 167 N -2.50 2.49 -3.02 1.25 0.00 0.76 -1.54 120.51 117.96 1iwk n ALA 167 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1iwk n ALA 167 Cb 0.40 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.53 1iwk n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iwk n GLY 168 N 1.32 -0.00 3.49 0.00 0.00 0.63 -4.27 105.19 106.35 1iwk n GLY 168 Ca 0.05 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1iwk n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iwk s LEU 169 N -4.74 2.71 0.18 0.99 1.43 -0.47 -5.04 118.68 113.74 1iwk s LEU 169 Ca 0.18 -0.56 -0.31 0.00 -1.03 0.00 0.00 54.13 52.41 1iwk s LEU 169 Cb -0.08 -1.55 -0.10 0.00 0.03 0.00 0.00 46.19 44.50 1iwk s LEU 169 CO 0.44 0.18 1.48 -2.16 0.23 0.00 0.00 176.35 176.52 1iwk s PRO 170 N -2.15 4.26 0.12 1.29 0.04 -1.26 -4.67 135.00 132.63 1iwk s PRO 170 Ca 0.18 2.27 0.11 0.00 0.04 0.00 0.00 61.00 63.60 1iwk s PRO 170 Cb -0.11 -3.16 0.55 0.00 0.04 0.00 0.00 34.50 31.82 1iwk s PRO 170 CO 0.10 -0.49 1.34 0.39 0.04 0.00 0.00 177.00 178.38 1iwk n GLU 171 N 3.36 0.06 0.22 4.56 1.02 -1.26 -1.74 120.64 126.87 1iwk n GLU 171 Ca 0.11 0.50 0.13 0.00 -0.02 0.00 0.00 57.16 57.88 1iwk n GLU 171 Cb 0.40 -1.68 0.31 0.00 -0.02 0.00 0.00 31.44 30.46 1iwk n GLU 171 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1iwk h GLU 172 N 0.00 0.00 -0.01 3.49 3.07 -2.05 -3.17 114.58 115.91 1iwk h GLU 172 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1iwk h GLU 172 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1iwk h GLU 172 CO 0.00 0.00 -0.19 -0.25 -1.40 0.00 0.00 179.01 177.17 1iwk n ASP 173 N -2.99 0.69 0.01 1.42 10.43 -0.71 -4.39 116.55 121.02 1iwk n ASP 173 Ca 0.03 -0.65 -0.10 0.00 2.57 0.00 0.00 54.79 56.64 1iwk n ASP 173 Cb 0.46 0.02 -0.04 0.00 1.84 0.00 0.00 41.12 43.41 1iwk n ASP 173 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1iwk h ILE 174 N 0.79 0.36 -0.84 0.53 2.04 -1.71 -0.25 117.51 118.43 1iwk h ILE 174 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1iwk h ILE 174 Cb 0.44 0.36 -0.09 0.00 -0.74 0.00 0.00 36.82 36.78 1iwk h ILE 174 CO 0.00 0.00 0.43 -0.65 0.00 0.00 0.00 178.15 177.93 1iwk h PRO 175 N -0.36 0.61 0.25 2.37 0.11 -1.85 0.42 132.00 133.56 1iwk h PRO 175 Ca 0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1iwk h PRO 175 Cb 0.50 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1iwk h PRO 175 CO -0.31 0.41 -0.12 1.25 -0.21 0.00 0.00 178.00 179.01 1iwk h HIS 176 N 0.63 -0.31 -0.96 0.65 -0.00 -1.75 -2.73 115.15 110.68 1iwk h HIS 176 Ca 0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.81 1iwk h HIS 176 Cb 0.61 0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 28.08 1iwk h HIS 176 CO -0.09 0.03 0.58 -0.07 -0.00 0.00 0.00 177.93 178.37 1iwk h LEU 177 N -0.71 1.15 -0.73 0.26 3.38 -0.58 -2.55 115.31 115.52 1iwk h LEU 177 Ca -0.03 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1iwk h LEU 177 Cb 0.48 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1iwk h LEU 177 CO 0.06 0.88 0.08 0.50 0.09 0.00 0.00 178.44 180.04 1iwk h LYS 178 N 1.32 1.05 -0.33 1.13 1.63 -0.23 -2.10 116.57 119.02 1iwk h LYS 178 Ca 0.34 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1iwk h LYS 178 Cb -0.06 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 1iwk h LYS 178 CO -0.06 0.97 0.10 -0.92 -3.45 0.00 0.00 179.45 176.09 1iwk h TYR 179 N 0.98 0.54 -0.80 1.91 3.20 -1.15 -1.67 116.97 119.97 1iwk h TYR 179 Ca 0.19 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1iwk h TYR 179 Cb 0.45 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1iwk h TYR 179 CO 0.03 0.53 0.38 -0.07 -1.64 0.00 0.00 178.16 177.40 1iwk h LEU 180 N 0.38 1.05 -0.08 2.82 3.38 -1.35 -2.62 115.31 118.89 1iwk h LEU 180 Ca 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iwk h LEU 180 Cb 0.25 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1iwk h LEU 180 CO -0.00 0.89 0.03 0.74 0.09 0.00 0.00 178.44 180.19 1iwk h THR 181 N 1.14 1.14 -0.55 0.22 2.02 -1.20 -2.95 112.91 112.74 1iwk h THR 181 Ca 0.28 -0.41 0.09 0.00 0.77 0.00 0.00 66.41 67.14 1iwk h THR 181 Cb 0.12 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1iwk h THR 181 CO -0.03 0.12 0.37 0.44 0.37 0.00 0.00 175.52 176.78 1iwk h ASP 182 N -0.02 0.34 0.95 4.18 3.45 -1.08 -0.31 116.42 123.93 1iwk h ASP 182 Ca 0.03 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1iwk h ASP 182 Cb 0.16 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1iwk h ASP 182 CO -0.00 0.21 0.00 1.56 -1.57 0.00 0.00 179.24 179.44 1iwk h GLN 183 N 0.38 0.00 0.00 3.56 1.08 -1.29 0.88 115.11 119.72 1iwk h GLN 183 Ca 0.25 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.21 1iwk h GLN 183 Cb 0.48 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 1iwk h GLN 183 CO -0.06 0.00 -1.48 0.52 -0.95 0.00 0.00 178.83 176.85 1iwk h MET 184 N 0.00 0.00 0.00 1.46 2.86 -1.04 -3.26 114.93 114.95 1iwk h MET 184 Ca 0.00 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.34 1iwk h MET 184 Cb 0.48 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1iwk h MET 184 CO 0.00 0.49 -2.15 0.25 1.06 0.00 0.00 176.91 176.57 1iwk n THR 185 N -3.05 1.15 -3.22 2.22 -2.24 -1.14 -4.74 114.28 103.27 1iwk n THR 185 Ca -0.12 -0.56 -0.24 0.00 -2.27 0.00 0.00 64.05 60.86 1iwk n THR 185 Cb 0.96 -0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 1iwk n THR 185 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iwk n ARG 186 N -2.88 1.75 -1.52 -0.78 1.74 0.29 -1.12 116.66 114.14 1iwk n ARG 186 Ca -0.32 -3.98 -0.59 0.00 -0.77 0.00 0.00 57.85 52.19 1iwk n ARG 186 Cb 0.95 -1.80 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 1iwk n ARG 186 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1iwk n PRO 187 N 0.75 0.00 0.07 5.56 -0.02 -1.23 -4.59 135.00 135.54 1iwk n PRO 187 Ca 0.26 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.86 1iwk n PRO 187 Cb 0.49 -1.42 0.02 0.00 -0.02 0.00 0.00 33.50 32.57 1iwk n PRO 187 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1iwk n ASP 188 N 2.40 0.70 0.00 2.55 4.64 -1.26 -4.93 116.55 120.64 1iwk n ASP 188 Ca 0.23 0.15 0.00 0.00 -1.38 0.00 0.00 54.79 53.79 1iwk n ASP 188 Cb 0.02 0.61 0.00 0.00 -1.04 0.00 0.00 41.12 40.71 1iwk n ASP 188 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1iwk n GLY 189 N 1.25 1.07 0.32 0.27 0.00 -1.26 -4.90 105.19 101.95 1iwk n GLY 189 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1iwk n GLY 189 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iwk h SER 190 N 0.00 0.95 -4.78 1.61 0.02 -1.99 -3.44 113.55 105.92 1iwk h SER 190 Ca 0.00 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.65 1iwk h SER 190 Cb 0.00 -0.25 -0.21 0.00 0.14 0.00 0.00 62.40 62.09 1iwk h SER 190 CO 0.00 0.91 -0.18 0.00 -1.14 0.00 0.00 176.83 176.42 1iwk s MET 191 N -5.27 0.70 0.94 3.45 0.23 -1.26 -5.15 119.30 112.94 1iwk s MET 191 Ca -0.11 0.04 -0.12 0.00 -1.03 0.00 0.00 55.69 54.47 1iwk s MET 191 Cb 0.15 0.32 0.15 0.00 -1.53 0.00 0.00 34.83 33.93 1iwk s MET 191 CO 0.83 -0.19 1.09 0.95 -2.03 0.00 0.00 175.02 175.68 1iwk s THR 192 N -1.00 2.38 0.10 3.16 -4.23 -1.26 -4.78 115.64 110.00 1iwk s THR 192 Ca -0.11 0.12 -0.20 0.00 -1.18 0.00 0.00 61.69 60.33 1iwk s THR 192 Cb -0.04 -2.63 -0.09 0.00 1.34 0.00 0.00 72.50 71.08 1iwk s THR 192 CO 0.05 -0.16 1.68 0.15 -0.54 0.00 0.00 174.62 175.80 1iwk h PHE 193 N -1.69 0.25 -0.99 3.99 3.57 -1.93 -2.17 116.94 117.96 1iwk h PHE 193 Ca -0.52 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.12 1iwk h PHE 193 Cb 1.31 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.88 1iwk h PHE 193 CO 0.36 0.25 0.62 0.00 -2.23 0.00 0.00 178.31 177.31 1iwk h ALA 194 N 0.97 1.61 -0.14 2.41 0.00 -1.92 0.17 119.26 122.37 1iwk h ALA 194 Ca 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1iwk h ALA 194 Cb 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1iwk h ALA 194 CO -0.01 0.10 -0.12 0.93 0.00 0.00 0.00 179.25 180.15 1iwk h GLU 195 N 0.89 0.33 -0.67 0.00 5.08 -1.88 0.21 114.58 118.54 1iwk h GLU 195 Ca 0.52 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.73 1iwk h GLU 195 Cb 0.65 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1iwk h GLU 195 CO -0.29 0.71 0.43 0.00 -1.00 0.00 0.00 179.01 178.86 1iwk h ALA 196 N 0.61 0.86 -0.70 3.43 0.00 -0.74 0.17 119.26 122.90 1iwk h ALA 196 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1iwk h ALA 196 Cb 0.64 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1iwk h ALA 196 CO 0.03 0.23 0.21 -0.22 0.00 0.00 0.00 179.25 179.50 1iwk h LYS 197 N 0.87 1.10 0.38 0.00 3.64 -0.58 -2.08 116.57 119.90 1iwk h LYS 197 Ca 0.26 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1iwk h LYS 197 Cb -0.05 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1iwk h LYS 197 CO -0.08 0.95 -0.18 0.93 -2.27 0.00 0.00 179.45 178.80 1iwk h GLU 198 N 1.04 -0.49 -0.69 1.90 4.39 0.17 -2.04 114.58 118.87 1iwk h GLU 198 Ca 0.22 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.08 1iwk h GLU 198 Cb 0.32 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.00 1iwk h GLU 198 CO -0.00 -0.33 0.26 0.00 -1.16 0.00 0.00 179.01 177.78 1iwk h ALA 199 N 0.12 0.92 -0.52 3.43 0.00 -0.86 -0.57 119.26 121.78 1iwk h ALA 199 Ca -0.05 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1iwk h ALA 199 Cb 0.39 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1iwk h ALA 199 CO 0.08 -0.20 -0.01 1.25 0.00 0.00 0.00 179.25 180.38 1iwk h LEU 200 N 0.43 0.85 -0.82 0.00 5.85 -1.24 -2.69 115.31 117.67 1iwk h LEU 200 Ca 0.36 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1iwk h LEU 200 Cb 0.50 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1iwk h LEU 200 CO -0.36 0.91 -0.44 1.88 -0.34 0.00 0.00 178.44 180.09 1iwk h TYR 201 N 0.81 0.38 -0.25 1.25 0.05 -0.56 -2.18 116.97 116.47 1iwk h TYR 201 Ca 0.15 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1iwk h TYR 201 Cb 0.49 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1iwk h TYR 201 CO 0.03 0.71 0.06 -0.44 -1.05 0.00 0.00 178.16 177.47 1iwk h ASP 202 N 0.26 0.32 -0.09 3.88 3.45 -0.83 -1.09 116.42 122.32 1iwk h ASP 202 Ca 0.02 -0.03 -0.17 0.00 0.43 0.00 0.00 57.03 57.27 1iwk h ASP 202 Cb 0.89 -0.08 0.01 0.00 -0.56 0.00 0.00 39.33 39.59 1iwk h ASP 202 CO 0.07 0.33 -0.62 0.22 -1.57 0.00 0.00 179.24 177.68 1iwk h TYR 203 N 0.35 0.80 0.02 4.55 3.20 -1.15 -3.37 116.97 121.38 1iwk h TYR 203 Ca 0.09 -0.37 -0.26 0.00 3.14 0.00 0.00 58.73 61.33 1iwk h TYR 203 Cb 0.14 -0.12 0.02 0.00 1.54 0.00 0.00 36.73 38.32 1iwk h TYR 203 CO 0.00 1.17 -1.01 -0.07 -1.64 0.00 0.00 178.16 176.61 1iwk h LEU 204 N 0.20 0.86 -0.71 2.82 3.38 -0.94 -3.38 115.31 117.54 1iwk h LEU 204 Ca -0.05 -0.76 0.12 0.00 0.09 0.00 0.00 57.88 57.28 1iwk h LEU 204 Cb 1.27 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 1iwk h LEU 204 CO 0.13 1.51 -0.34 0.40 0.09 0.00 0.00 178.44 180.22 1iwk h ILE 205 N 0.30 0.13 -0.29 1.22 2.04 -1.38 0.08 117.51 119.61 1iwk h ILE 205 Ca -0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1iwk h ILE 205 Cb 1.68 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1iwk h ILE 205 CO 0.20 0.00 0.07 -0.65 0.00 0.00 0.00 178.15 177.77 1iwk h PRO 206 N -0.11 0.18 -0.15 2.37 0.11 -1.77 -1.05 132.00 131.57 1iwk h PRO 206 Ca 0.27 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.40 1iwk h PRO 206 Cb 0.56 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 1iwk h PRO 206 CO -0.77 0.12 -0.03 0.82 -0.21 0.00 0.00 178.00 177.93 1iwk h ILE 207 N 0.18 0.86 -0.95 4.15 2.04 -1.45 -1.59 117.51 120.74 1iwk h ILE 207 Ca 0.13 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1iwk h ILE 207 Cb 0.13 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1iwk h ILE 207 CO -0.17 0.00 0.60 0.40 0.00 0.00 0.00 178.15 178.98 1iwk h ILE 208 N 0.02 1.25 0.13 -0.67 2.04 -0.84 -0.01 117.51 119.42 1iwk h ILE 208 Ca 0.07 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1iwk h ILE 208 Cb 0.10 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.03 1iwk h ILE 208 CO -0.15 0.26 -0.37 -0.33 0.00 0.00 0.00 178.15 177.56 1iwk h GLU 209 N 1.30 -0.58 -0.76 2.37 5.08 -0.59 -0.92 114.58 120.49 1iwk h GLU 209 Ca 0.34 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1iwk h GLU 209 Cb -0.10 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1iwk h GLU 209 CO -0.07 -0.39 0.48 1.96 -1.00 0.00 0.00 179.01 179.99 1iwk h GLN 210 N -0.61 1.01 0.00 2.33 4.20 -0.91 -1.98 115.11 119.16 1iwk h GLN 210 Ca 0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1iwk h GLN 210 Cb 0.63 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1iwk h GLN 210 CO -0.21 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 1iwk h ARG 211 N 1.04 0.00 0.25 1.46 -0.00 -0.40 -0.93 114.38 115.80 1iwk h ARG 211 Ca 0.28 0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 59.42 1iwk h ARG 211 Cb -0.08 0.00 0.04 0.00 0.00 0.00 0.00 29.97 29.92 1iwk h ARG 211 CO -0.06 0.00 -1.47 0.00 0.00 0.00 0.00 179.97 178.45 1iwk h ARG 212 N 0.00 0.54 0.04 0.04 3.08 -0.39 -3.18 114.38 114.51 1iwk h ARG 212 Ca 0.00 -0.91 -0.00 0.00 0.07 0.00 0.00 59.98 59.13 1iwk h ARG 212 Cb 0.47 0.34 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1iwk h ARG 212 CO 0.00 1.44 -0.02 1.96 -1.07 0.00 0.00 179.97 182.28 1iwk h GLN 213 N 0.15 -0.05 -3.45 0.04 4.20 -1.45 -3.41 115.11 111.15 1iwk h GLN 213 Ca -0.25 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 57.75 1iwk h GLN 213 Cb 2.16 0.01 -0.34 0.00 0.30 0.00 0.00 27.48 29.61 1iwk h GLN 213 CO 0.27 0.29 -0.16 0.15 -0.67 0.00 0.00 178.83 178.71 1iwk s LYS 214 N -2.00 3.07 0.57 1.46 1.02 -0.37 -5.08 119.74 118.42 1iwk s LYS 214 Ca -0.07 -2.94 -0.18 0.00 0.02 0.00 0.00 55.97 52.79 1iwk s LYS 214 Cb -0.01 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 1iwk s LYS 214 CO 0.25 -1.23 1.13 -2.14 -0.92 0.00 0.00 175.35 172.44 1iwk s PRO 215 N -0.76 3.19 0.00 -1.68 0.02 -1.20 -4.42 135.00 130.15 1iwk s PRO 215 Ca 0.23 1.59 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1iwk s PRO 215 Cb -0.12 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1iwk s PRO 215 CO -0.09 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.02 1iwk n GLY 216 N 0.06 6.24 0.39 0.52 0.00 -1.26 -5.05 105.19 106.09 1iwk n GLY 216 Ca 0.12 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 44.29 1iwk n GLY 216 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iwk n THR 217 N 0.00 0.00 -1.11 2.61 -2.24 -1.26 -4.69 114.28 107.59 1iwk n THR 217 Ca 0.00 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 1iwk n THR 217 Cb 0.00 1.20 0.13 0.00 -2.10 0.00 0.00 70.33 69.57 1iwk n THR 217 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1iwk s ASP 218 N -0.90 3.61 0.32 3.42 1.47 -1.26 -4.80 116.67 118.53 1iwk s ASP 218 Ca 0.12 1.72 0.03 0.00 1.18 0.00 0.00 52.55 55.59 1iwk s ASP 218 Cb 0.08 -2.36 0.61 0.00 -0.34 0.00 0.00 42.92 40.91 1iwk s ASP 218 CO 0.14 -2.59 1.93 0.00 0.68 0.00 0.00 175.17 175.33 1iwk h ALA 219 N -1.51 1.58 -0.44 2.11 0.00 -1.50 -1.25 119.26 118.26 1iwk h ALA 219 Ca -0.47 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1iwk h ALA 219 Cb 1.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1iwk h ALA 219 CO 0.51 0.30 0.06 0.82 0.00 0.00 0.00 179.25 180.94 1iwk h ILE 220 N 0.93 1.25 -0.54 0.00 2.04 -1.82 -0.56 117.51 118.81 1iwk h ILE 220 Ca 0.36 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1iwk h ILE 220 Cb 0.21 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1iwk h ILE 220 CO -0.13 0.32 0.18 0.28 0.00 0.00 0.00 178.15 178.80 1iwk h SER 221 N 0.59 0.78 -0.39 1.72 0.02 -1.75 0.20 113.55 114.71 1iwk h SER 221 Ca 0.13 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1iwk h SER 221 Cb 0.40 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1iwk h SER 221 CO 0.01 0.77 0.17 0.40 -1.14 0.00 0.00 176.83 177.04 1iwk h ILE 222 N 0.74 0.93 -0.08 3.27 1.08 -0.98 -2.29 117.51 120.18 1iwk h ILE 222 Ca 0.17 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1iwk h ILE 222 Cb 0.26 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1iwk h ILE 222 CO -0.01 0.06 -0.08 0.58 -0.69 0.00 0.00 178.15 178.01 1iwk h VAL 223 N 0.35 1.37 0.00 1.67 2.07 -0.82 -2.51 116.25 118.37 1iwk h VAL 223 Ca 0.17 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1iwk h VAL 223 Cb 0.11 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1iwk h VAL 223 CO -0.14 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1iwk h ALA 224 N 0.57 1.00 0.00 1.67 0.00 -0.51 -2.30 119.26 119.69 1iwk h ALA 224 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1iwk h ALA 224 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1iwk h ALA 224 CO 0.02 0.00 -0.05 0.09 0.00 0.00 0.00 179.25 179.31 1iwk n ASN 225 N -2.93 2.14 -4.10 0.00 4.13 -0.87 -4.84 115.26 108.79 1iwk n ASN 225 Ca -0.03 -3.00 -0.30 0.00 1.68 0.00 0.00 54.58 52.94 1iwk n ASN 225 Cb 0.08 -0.41 0.19 0.00 -1.54 0.00 0.00 39.78 38.10 1iwk n ASN 225 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1iwk s GLY 226 N -2.72 1.73 -0.09 7.41 0.00 -0.87 -4.90 107.32 107.88 1iwk s GLY 226 Ca 0.29 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.92 1iwk s GLY 226 CO 0.03 -0.33 -0.16 1.20 0.00 0.00 0.00 173.10 173.83 1iwk s GLN 227 N -5.77 2.20 -0.12 2.90 -0.21 -1.26 -1.99 119.66 115.41 1iwk s GLN 227 Ca 0.73 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 55.54 1iwk s GLN 227 Cb -0.06 -1.78 0.02 0.00 1.00 0.00 0.00 33.01 32.19 1iwk s GLN 227 CO 0.54 0.04 -0.15 0.14 -2.12 0.00 0.00 175.29 173.74 1iwk s VAL 228 N 0.68 1.52 -1.30 1.09 -7.23 0.26 -4.72 120.40 110.70 1iwk s VAL 228 Ca -0.13 -0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.38 1iwk s VAL 228 Cb -0.16 -1.40 0.00 0.00 0.56 0.00 0.00 36.38 35.38 1iwk s VAL 228 CO 0.03 0.45 0.43 -3.20 -0.31 0.00 0.00 175.10 172.50 1iwk n ASN 229 N 4.44 -5.26 0.00 4.85 2.85 -1.26 -2.54 115.26 118.34 1iwk n ASN 229 Ca -0.18 -0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.08 1iwk n ASN 229 Cb 0.51 -4.13 0.00 0.00 1.24 0.00 0.00 39.78 37.39 1iwk n ASN 229 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1iwk n GLY 230 N -1.34 2.70 4.00 8.20 0.00 -1.26 -5.01 105.19 112.48 1iwk n GLY 230 Ca -0.11 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 1iwk n GLY 230 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iwk s ARG 231 N 0.00 2.59 0.27 1.61 1.04 -1.05 -5.04 118.95 118.37 1iwk s ARG 231 Ca 0.00 -1.13 -0.20 0.00 -1.04 0.00 0.00 55.73 53.36 1iwk s ARG 231 Cb 0.00 -2.63 -0.09 0.00 -2.04 0.00 0.00 34.95 30.19 1iwk s ARG 231 CO 0.00 -0.57 0.78 -1.25 -0.04 0.00 0.00 175.30 174.22 1iwk s PRO 232 N -4.58 4.27 0.53 3.89 0.05 -1.26 0.89 135.00 138.79 1iwk s PRO 232 Ca 0.57 0.94 -0.21 0.00 0.05 0.00 0.00 61.00 62.35 1iwk s PRO 232 Cb -0.09 -2.74 -0.05 0.00 0.05 0.00 0.00 34.50 31.66 1iwk s PRO 232 CO 0.36 0.30 1.24 -1.50 0.05 0.00 0.00 177.00 177.45 1iwk s ILE 233 N -1.66 2.65 0.48 0.56 2.07 -0.84 -4.73 121.20 119.71 1iwk s ILE 233 Ca 0.48 0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 60.17 1iwk s ILE 233 Cb -0.15 -3.22 -0.00 0.00 0.13 0.00 0.00 42.46 39.22 1iwk s ILE 233 CO 0.20 -0.03 0.71 0.42 -1.91 0.00 0.00 174.94 174.33 1iwk s THR 234 N -1.49 3.90 0.16 4.00 -4.23 -1.26 -4.92 115.64 111.80 1iwk s THR 234 Ca 0.70 -0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 1iwk s THR 234 Cb -0.33 -3.46 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1iwk s THR 234 CO 0.38 -0.35 1.79 0.28 -0.54 0.00 0.00 174.62 176.18 1iwk h SER 235 N 0.29 0.33 -0.06 3.99 0.02 -1.96 -0.44 113.55 115.73 1iwk h SER 235 Ca -0.46 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.53 1iwk h SER 235 Cb 1.25 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1iwk h SER 235 CO 0.58 0.24 -0.08 -0.78 -1.14 0.00 0.00 176.83 175.64 1iwk h ASP 236 N 0.43 -0.25 -0.69 3.07 -0.00 -1.98 0.95 116.42 117.95 1iwk h ASP 236 Ca 0.16 0.05 0.02 0.00 -0.00 0.00 0.00 57.03 57.26 1iwk h ASP 236 Cb 0.05 0.12 -0.04 0.00 -0.00 0.00 0.00 39.33 39.46 1iwk h ASP 236 CO -0.10 -0.12 0.44 -0.33 -0.00 0.00 0.00 179.24 179.13 1iwk h GLU 237 N -0.12 0.84 -0.46 0.28 5.08 -1.88 0.06 114.58 118.38 1iwk h GLU 237 Ca 0.05 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1iwk h GLU 237 Cb 0.19 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1iwk h GLU 237 CO -0.13 0.56 0.09 0.00 -1.00 0.00 0.00 179.01 178.53 1iwk h ALA 238 N 1.28 0.61 -0.62 3.43 0.00 -0.79 -1.46 119.26 121.71 1iwk h ALA 238 Ca 0.27 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1iwk h ALA 238 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1iwk h ALA 238 CO -0.09 0.32 0.41 -0.22 0.00 0.00 0.00 179.25 179.67 1iwk h LYS 239 N 0.63 0.82 0.00 0.00 3.64 -0.29 0.19 116.57 121.56 1iwk h LYS 239 Ca 0.14 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1iwk h LYS 239 Cb 0.36 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1iwk h LYS 239 CO 0.01 0.54 -0.57 0.00 -2.27 0.00 0.00 179.45 177.16 1iwk h ARG 240 N 0.84 0.00 0.09 1.90 3.08 -0.82 -1.53 114.38 117.94 1iwk h ARG 240 Ca 0.23 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.10 1iwk h ARG 240 Cb -0.09 0.00 0.02 0.00 0.08 0.00 0.00 29.97 29.97 1iwk h ARG 240 CO -0.05 0.57 -0.75 1.98 -1.07 0.00 0.00 179.97 180.65 1iwk h MET 241 N 0.00 0.35 -0.61 0.04 4.05 -0.99 -2.80 114.93 114.97 1iwk h MET 241 Ca -0.01 -0.50 -0.01 0.00 -0.28 0.00 0.00 59.70 58.90 1iwk h MET 241 Cb 1.01 0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.95 1iwk h MET 241 CO 0.07 1.20 0.33 0.00 0.23 0.00 0.00 176.91 178.74 1iwk h GLY 243 N 0.91 0.86 1.01 0.00 0.00 -1.34 -1.43 103.07 103.07 1iwk h GLY 243 Ca 0.22 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1iwk h GLY 243 CO -0.04 0.34 -0.34 -2.00 0.00 0.00 0.00 176.54 174.50 1iwk h LEU 244 N 0.82 0.81 -1.29 3.11 5.85 -1.20 -2.52 115.31 120.89 1iwk h LEU 244 Ca 0.22 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 1iwk h LEU 244 Cb -0.03 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1iwk h LEU 244 CO -0.04 1.13 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.08 1iwk h LEU 245 N 0.50 0.41 0.14 2.25 3.38 -0.94 -1.59 115.31 119.46 1iwk h LEU 245 Ca 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1iwk h LEU 245 Cb 0.92 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1iwk h LEU 245 CO 0.08 0.50 -0.07 0.25 0.09 0.00 0.00 178.44 179.30 1iwk h LEU 246 N 0.42 -0.16 -0.96 1.67 7.12 -1.13 0.14 115.31 122.41 1iwk h LEU 246 Ca 0.09 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.99 1iwk h LEU 246 Cb 0.33 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.47 1iwk h LEU 246 CO 0.01 -0.03 0.33 0.58 -0.13 0.00 0.00 178.44 179.20 1iwk h VAL 247 N -0.28 1.24 -0.42 1.05 2.07 -1.22 -0.70 116.25 117.99 1iwk h VAL 247 Ca -0.02 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 1iwk h VAL 247 Cb 0.23 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1iwk h VAL 247 CO 0.03 0.30 -0.23 1.23 0.02 0.00 0.00 177.57 178.92 1iwk h GLY 248 N 1.11 0.98 1.82 2.17 0.00 -1.10 -1.52 103.07 106.52 1iwk h GLY 248 Ca 0.25 -0.90 -0.14 0.00 0.00 0.00 0.00 47.33 46.55 1iwk h GLY 248 CO -0.03 0.82 -0.57 -1.33 0.00 0.00 0.00 176.54 175.42 1iwk h GLY 249 N 0.73 0.21 0.59 4.60 0.00 -0.41 -3.30 103.07 105.48 1iwk h GLY 249 Ca 0.09 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.96 1iwk h GLY 249 CO 0.07 0.22 -1.79 1.04 0.00 0.00 0.00 176.54 176.08 1iwk n LEU 250 N -3.89 0.52 -1.81 3.11 4.32 -0.30 -4.47 117.00 114.48 1iwk n LEU 250 Ca -0.02 0.23 -0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1iwk n LEU 250 Cb 0.59 0.19 0.07 0.00 -1.62 0.00 0.00 43.42 42.65 1iwk n LEU 250 CO 0.43 0.25 0.18 -0.67 -1.22 0.00 0.00 177.39 176.36 1iwk n ASP 251 N -2.79 3.29 0.00 -1.43 4.64 -0.58 -4.69 116.55 114.99 1iwk n ASP 251 Ca -0.16 -3.33 0.00 0.00 -1.38 0.00 0.00 54.79 49.92 1iwk n ASP 251 Cb 0.91 -0.40 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 1iwk n ASP 251 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1iwk n THR 252 N -0.69 0.00 -0.11 5.18 -2.24 -1.24 -4.74 114.28 110.44 1iwk n THR 252 Ca 0.29 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.17 1iwk n THR 252 Cb 0.89 -0.50 0.46 0.00 -2.10 0.00 0.00 70.33 69.08 1iwk n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1iwk h VAL 253 N 0.00 0.92 -0.16 2.28 2.07 -1.87 -2.14 116.25 117.36 1iwk h VAL 253 Ca 0.00 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.39 1iwk h VAL 253 Cb 0.00 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 1iwk h VAL 253 CO 0.00 0.09 -0.45 0.58 0.02 0.00 0.00 177.57 177.81 1iwk h VAL 254 N 0.50 0.11 -0.39 2.57 2.07 -1.84 -1.51 116.25 117.76 1iwk h VAL 254 Ca 0.29 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.71 1iwk h VAL 254 Cb 0.48 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1iwk h VAL 254 CO -0.09 0.00 -0.14 0.78 0.02 0.00 0.00 177.57 178.14 1iwk h ASN 255 N -0.50 0.80 -0.95 0.57 2.35 -1.70 -3.19 115.58 112.96 1iwk h ASN 255 Ca 0.07 -0.39 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 1iwk h ASN 255 Cb 0.64 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.73 1iwk h ASN 255 CO -0.42 1.01 0.62 0.15 -1.65 0.00 0.00 177.43 177.13 1iwk h PHE 256 N 0.59 1.13 -0.60 1.19 3.04 -1.12 -2.22 116.94 118.95 1iwk h PHE 256 Ca 0.09 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1iwk h PHE 256 Cb 0.68 -0.37 -0.03 0.00 2.56 0.00 0.00 35.95 38.79 1iwk h PHE 256 CO 0.05 0.62 0.34 -0.07 -2.02 0.00 0.00 178.31 177.24 1iwk h LEU 257 N 1.14 0.71 -0.32 0.59 3.38 -1.27 -2.13 115.31 117.41 1iwk h LEU 257 Ca 0.39 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 1iwk h LEU 257 Cb 0.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1iwk h LEU 257 CO -0.14 0.56 -0.09 0.28 0.09 0.00 0.00 178.44 179.15 1iwk h SER 258 N 0.82 0.64 -0.31 -0.43 0.02 -1.47 -0.12 113.55 112.70 1iwk h SER 258 Ca 0.21 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1iwk h SER 258 Cb -0.01 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1iwk h SER 258 CO -0.04 0.86 0.08 -0.26 -1.14 0.00 0.00 176.83 176.33 1iwk h PHE 259 N 0.41 0.13 -0.39 3.45 0.04 -1.27 0.36 116.94 119.66 1iwk h PHE 259 Ca 0.08 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 1iwk h PHE 259 Cb 0.59 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1iwk h PHE 259 CO 0.05 0.04 0.16 0.77 -0.60 0.00 0.00 178.31 178.73 1iwk h SER 260 N 0.19 0.54 0.35 2.17 0.02 -1.29 -2.01 113.55 113.53 1iwk h SER 260 Ca 0.14 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1iwk h SER 260 Cb 0.14 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1iwk h SER 260 CO -0.17 0.56 -0.42 -0.03 -1.14 0.00 0.00 176.83 175.62 1iwk h MET 261 N 0.49 0.10 -0.61 3.45 1.85 -0.67 0.28 114.93 119.82 1iwk h MET 261 Ca 0.13 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 59.13 1iwk h MET 261 Cb 0.18 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.19 1iwk h MET 261 CO -0.01 0.51 0.19 1.49 -0.40 0.00 0.00 176.91 178.69 1iwk h GLU 262 N 0.09 0.94 -0.15 0.39 4.81 0.03 -1.37 114.58 119.31 1iwk h GLU 262 Ca 0.01 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 1iwk h GLU 262 Cb 0.79 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1iwk h GLU 262 CO 0.06 0.84 -0.16 0.35 -0.73 0.00 0.00 179.01 179.37 1iwk h PHE 263 N 0.87 0.45 -0.20 0.92 3.04 -0.90 -3.09 116.94 118.03 1iwk h PHE 263 Ca 0.20 -0.14 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 1iwk h PHE 263 Cb 0.28 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1iwk h PHE 263 CO 0.02 0.76 0.00 -0.07 -2.02 0.00 0.00 178.31 177.01 1iwk h LEU 264 N 0.01 0.27 -1.58 0.59 3.38 -0.89 -1.11 115.31 115.98 1iwk h LEU 264 Ca 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1iwk h LEU 264 Cb 0.69 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1iwk h LEU 264 CO 0.04 0.32 -0.16 0.00 0.09 0.00 0.00 178.44 178.72 1iwk h ALA 265 N 1.72 1.15 -0.00 1.53 0.00 -1.23 -2.65 119.26 119.78 1iwk h ALA 265 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1iwk h ALA 265 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1iwk h ALA 265 CO 0.00 0.21 -0.87 1.63 0.00 0.00 0.00 179.25 180.22 1iwk n LYS 266 N -3.51 0.17 -3.79 0.00 5.02 -0.56 -4.40 118.16 111.09 1iwk n LYS 266 Ca -0.01 -0.14 -0.29 0.00 -2.02 0.00 0.00 58.31 55.85 1iwk n LYS 266 Cb 0.32 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.71 1iwk n LYS 266 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iwk s SER 267 N -2.92 3.90 0.32 4.39 0.15 -0.53 -4.95 113.70 114.06 1iwk s SER 267 Ca 0.10 -3.02 0.02 0.00 0.70 0.00 0.00 55.95 53.75 1iwk s SER 267 Cb 0.16 -1.28 0.60 0.00 -1.71 0.00 0.00 66.02 63.79 1iwk s SER 267 CO 0.81 -0.21 1.93 -0.65 1.20 0.00 0.00 173.24 176.32 1iwk h PRO 268 N 6.31 0.91 -0.15 5.44 0.11 -1.86 -2.01 132.00 140.75 1iwk h PRO 268 Ca 0.02 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 1iwk h PRO 268 Cb 0.88 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1iwk h PRO 268 CO 0.58 0.60 -0.04 0.93 -0.21 0.00 0.00 178.00 179.87 1iwk h GLU 269 N 0.94 0.21 0.11 1.05 3.07 -1.93 -0.00 114.58 118.03 1iwk h GLU 269 Ca 0.36 -0.03 -0.27 0.00 -0.50 0.00 0.00 59.36 58.92 1iwk h GLU 269 Cb 0.20 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1iwk h GLU 269 CO -0.13 0.27 -1.20 0.45 -1.40 0.00 0.00 179.01 177.01 1iwk h HIS 270 N 0.21 0.58 -0.09 4.33 3.86 -1.75 -2.36 115.15 119.93 1iwk h HIS 270 Ca 0.05 -0.39 -0.01 0.00 -1.16 0.00 0.00 60.37 58.86 1iwk h HIS 270 Cb 0.21 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 1iwk h HIS 270 CO 0.00 1.28 0.03 0.00 0.86 0.00 0.00 177.93 180.10 1iwk h ARG 271 N 0.12 0.14 -0.52 2.45 3.08 -1.09 -2.87 114.38 115.69 1iwk h ARG 271 Ca -0.13 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.94 1iwk h ARG 271 Cb 1.90 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.88 1iwk h ARG 271 CO 0.20 0.29 0.23 1.96 -1.07 0.00 0.00 179.97 181.59 1iwk h GLN 272 N -0.04 0.44 -0.97 0.04 1.08 -1.05 -1.76 115.11 112.85 1iwk h GLN 272 Ca 0.03 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 1iwk h GLN 272 Cb 0.21 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.46 1iwk h GLN 272 CO -0.00 0.29 0.60 1.49 -0.95 0.00 0.00 178.83 180.26 1iwk h GLU 273 N 0.45 0.98 -0.00 1.46 4.81 -1.32 -1.08 114.58 119.88 1iwk h GLU 273 Ca 0.24 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 1iwk h GLU 273 Cb 0.20 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1iwk h GLU 273 CO -0.20 0.65 -0.79 -0.07 -0.73 0.00 0.00 179.01 177.87 1iwk h LEU 274 N 1.01 0.02 -0.52 1.64 3.38 -1.19 -0.96 115.31 118.69 1iwk h LEU 274 Ca 0.46 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.25 1iwk h LEU 274 Cb 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1iwk h LEU 274 CO -0.23 0.80 -0.45 0.40 0.09 0.00 0.00 178.44 179.04 1iwk h ILE 275 N 0.01 1.30 0.13 1.22 2.04 -0.47 -3.07 117.51 118.67 1iwk h ILE 275 Ca -0.01 -1.65 -0.33 0.00 1.00 0.00 0.00 64.86 63.87 1iwk h ILE 275 Cb 1.39 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1iwk h ILE 275 CO 0.10 0.53 -1.69 -0.33 0.00 0.00 0.00 178.15 176.76 1iwk h GLU 276 N 0.55 0.28 -2.34 2.37 5.08 -1.21 -3.40 114.58 115.91 1iwk h GLU 276 Ca 0.03 -0.48 -0.60 0.00 -1.00 0.00 0.00 59.36 57.31 1iwk h GLU 276 Cb 1.00 0.18 -0.42 0.00 0.50 0.00 0.00 28.75 30.01 1iwk h GLU 276 CO 0.09 1.15 -0.59 0.54 -1.00 0.00 0.00 179.01 179.20 1iwk n ARG 277 N -3.47 2.41 0.32 2.33 5.12 -0.37 -4.92 116.66 118.08 1iwk n ARG 277 Ca -0.21 -4.64 0.19 0.00 -1.93 0.00 0.00 57.85 51.25 1iwk n ARG 277 Cb 1.06 -2.26 0.98 0.00 -1.16 0.00 0.00 32.46 31.08 1iwk n ARG 277 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1iwk h PRO 278 N 4.37 0.00 0.00 5.56 0.11 -1.76 -0.31 132.00 139.98 1iwk h PRO 278 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1iwk h PRO 278 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1iwk h PRO 278 CO 0.82 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76 1iwk n GLU 279 N -3.10 0.15 0.06 1.05 0.00 -1.26 -2.11 120.64 115.44 1iwk n GLU 279 Ca -0.02 0.46 0.12 0.00 0.00 0.00 0.00 57.16 57.72 1iwk n GLU 279 Cb 0.25 -1.84 0.21 0.00 0.00 0.00 0.00 31.44 30.07 1iwk n GLU 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1iwk n ARG 280 N -2.13 0.28 -0.18 3.44 1.74 -0.12 -4.35 116.66 115.33 1iwk n ARG 280 Ca 0.01 0.10 -0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1iwk n ARG 280 Cb 0.17 -1.70 0.06 0.00 -1.02 0.00 0.00 32.46 29.97 1iwk n ARG 280 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1iwk h ILE 281 N 0.00 0.49 -0.79 0.55 2.04 -1.59 0.23 117.51 118.44 1iwk h ILE 281 Ca 0.00 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.93 1iwk h ILE 281 Cb 0.73 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.19 1iwk h ILE 281 CO 0.00 0.01 0.45 -0.65 0.00 0.00 0.00 178.15 177.96 1iwk h PRO 282 N 0.04 0.75 -0.59 2.37 0.11 -1.81 0.37 132.00 133.25 1iwk h PRO 282 Ca 0.27 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.24 1iwk h PRO 282 Cb 0.43 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1iwk h PRO 282 CO -0.53 0.50 -0.03 0.00 -0.21 0.00 0.00 178.00 177.73 1iwk h ALA 283 N 1.43 0.80 -0.84 -0.75 0.00 -1.49 -2.55 119.26 115.84 1iwk h ALA 283 Ca 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1iwk h ALA 283 Cb 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1iwk h ALA 283 CO -0.23 0.66 0.39 0.00 0.00 0.00 0.00 179.25 180.07 1iwk h ALA 284 N 0.97 1.09 -0.57 0.00 0.00 0.68 -1.96 119.26 119.47 1iwk h ALA 284 Ca 0.16 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1iwk h ALA 284 Cb 0.59 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1iwk h ALA 284 CO 0.04 0.67 0.32 0.00 0.00 0.00 0.00 179.25 180.28 1iwk h GLU 286 N 0.63 0.85 -0.48 0.00 4.39 -1.08 -0.70 114.58 118.19 1iwk h GLU 286 Ca 0.24 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1iwk h GLU 286 Cb 0.09 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1iwk h GLU 286 CO -0.13 0.85 0.04 1.49 -1.16 0.00 0.00 179.01 180.09 1iwk h GLU 287 N 0.73 0.77 -0.13 2.33 4.57 -0.90 -0.77 114.58 121.18 1iwk h GLU 287 Ca 0.15 -0.19 -0.17 0.00 -1.18 0.00 0.00 59.36 57.97 1iwk h GLU 287 Cb 0.41 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1iwk h GLU 287 CO 0.01 0.76 -0.64 -0.07 -1.18 0.00 0.00 179.01 177.89 1iwk h LEU 288 N 0.73 0.55 -1.48 1.64 3.38 -0.92 0.01 115.31 119.23 1iwk h LEU 288 Ca 0.15 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1iwk h LEU 288 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1iwk h LEU 288 CO 0.01 1.05 -0.16 -0.07 0.09 0.00 0.00 178.44 179.35 1iwk h LEU 289 N 0.35 0.13 0.00 1.67 3.38 -0.57 0.11 115.31 120.38 1iwk h LEU 289 Ca -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1iwk h LEU 289 Cb 1.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1iwk h LEU 289 CO 0.11 0.31 -0.00 -0.09 0.09 0.00 0.00 178.44 178.86 1iwk h ARG 290 N 0.13 -0.00 -0.34 1.13 2.43 -0.79 -3.02 114.38 113.92 1iwk h ARG 290 Ca 0.03 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1iwk h ARG 290 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1iwk h ARG 290 CO 0.02 0.81 -0.29 -0.09 -1.51 0.00 0.00 179.97 178.92 1iwk h ARG 291 N -0.83 0.72 -0.71 0.20 9.65 -0.85 -3.24 114.38 119.32 1iwk h ARG 291 Ca -0.00 -0.32 -0.47 0.00 -1.10 0.00 0.00 59.98 58.09 1iwk h ARG 291 Cb 0.82 -0.02 -0.28 0.00 -1.39 0.00 0.00 29.97 29.10 1iwk h ARG 291 CO 0.00 0.92 -0.00 1.19 2.80 0.00 0.00 179.97 184.88 1iwk n PHE 292 N -4.08 2.39 -1.59 2.20 3.01 0.36 -4.98 117.46 114.76 1iwk n PHE 292 Ca -0.01 -2.25 -0.39 0.00 1.01 0.00 0.00 57.45 55.82 1iwk n PHE 292 Cb 0.47 -0.75 0.04 0.00 -0.01 0.00 0.00 39.48 39.22 1iwk n PHE 292 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1iwk n SER 293 N -0.93 0.64 0.00 4.37 2.88 -1.14 -4.93 113.62 114.51 1iwk n SER 293 Ca 0.47 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 1iwk n SER 293 Cb 0.95 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1iwk n SER 293 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iwk n LEU 294 N -0.31 0.00 -4.62 2.46 -0.00 -1.26 -4.88 117.00 108.39 1iwk n LEU 294 Ca 0.12 -0.05 -0.33 0.00 -0.00 0.00 0.00 56.01 55.75 1iwk n LEU 294 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.77 1iwk n LEU 294 CO 0.51 0.06 -0.36 -0.69 -0.00 0.00 0.00 177.39 176.91 1iwk s VAL 295 N 0.00 3.84 -0.29 1.47 1.01 -1.26 -0.81 120.40 124.37 1iwk s VAL 295 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1iwk s VAL 295 Cb 0.00 -2.63 0.16 0.00 0.00 0.00 0.00 36.38 33.91 1iwk s VAL 295 CO 0.00 0.51 0.42 0.00 0.00 0.00 0.00 175.10 176.03 1iwk s ALA 296 N -0.92 -1.31 0.00 5.51 0.00 0.36 -1.84 121.76 123.56 1iwk s ALA 296 Ca 0.15 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1iwk s ALA 296 Cb -0.11 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1iwk s ALA 296 CO 0.05 -1.71 0.00 -0.40 0.00 0.00 0.00 175.76 173.70 1iwk n ASP 297 N 5.36 1.13 0.00 0.00 5.75 -1.26 -4.44 116.55 123.09 1iwk n ASP 297 Ca 0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 1iwk n ASP 297 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1iwk n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iwk n GLY 298 N 2.83 4.18 3.21 6.12 0.00 0.49 -1.72 105.19 120.30 1iwk n GLY 298 Ca 0.00 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1iwk n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iwk s ARG 299 N 1.46 1.19 -0.02 1.61 1.81 -0.53 -4.25 118.95 120.22 1iwk s ARG 299 Ca 0.00 -1.59 0.07 0.00 -1.72 0.00 0.00 55.73 52.49 1iwk s ARG 299 Cb 0.00 0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.76 1iwk s ARG 299 CO 0.00 -0.39 -0.23 -1.50 -0.68 0.00 0.00 175.30 172.50 1iwk s ILE 300 N -4.14 1.82 -0.06 1.52 2.07 -0.30 -1.27 121.20 120.85 1iwk s ILE 300 Ca 0.37 -0.98 -0.30 0.00 -1.41 0.00 0.00 60.65 58.33 1iwk s ILE 300 Cb 0.07 -1.52 -0.04 0.00 0.13 0.00 0.00 42.46 41.10 1iwk s ILE 300 CO 0.11 0.52 1.29 -0.76 -1.91 0.00 0.00 174.94 174.19 1iwk s LEU 301 N -0.49 4.28 0.19 8.50 2.01 -0.37 -0.45 118.68 132.35 1iwk s LEU 301 Ca 0.07 1.91 0.26 0.00 0.01 0.00 0.00 54.13 56.38 1iwk s LEU 301 Cb -0.09 -3.55 0.81 0.00 0.01 0.00 0.00 46.19 43.37 1iwk s LEU 301 CO -0.00 -0.67 1.76 0.35 1.01 0.00 0.00 176.35 178.80 1iwk n THR 302 N 4.79 0.54 -3.81 5.49 -2.24 -0.38 -1.22 114.28 117.45 1iwk n THR 302 Ca 0.12 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1iwk n THR 302 Cb 0.45 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1iwk n THR 302 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1iwk s SER 303 N -4.41 -0.09 0.22 3.42 1.04 -1.26 -4.83 113.70 107.78 1iwk s SER 303 Ca 0.11 -0.62 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 1iwk s SER 303 Cb 0.13 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.72 1iwk s SER 303 CO 0.60 -1.09 1.36 -1.81 0.98 0.00 0.00 173.24 173.28 1iwk s ASP 304 N -3.11 6.80 -0.21 7.02 1.11 -1.26 -3.48 116.67 123.53 1iwk s ASP 304 Ca 0.16 2.51 -0.20 0.00 0.18 0.00 0.00 52.55 55.19 1iwk s ASP 304 Cb -0.03 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.40 1iwk s ASP 304 CO 0.05 -0.60 0.57 -0.47 1.18 0.00 0.00 175.17 175.90 1iwk s TYR 305 N 0.09 -0.62 -0.38 4.23 5.04 0.53 -4.91 117.35 121.32 1iwk s TYR 305 Ca 0.58 1.51 -0.15 0.00 -2.44 0.00 0.00 57.07 56.57 1iwk s TYR 305 Cb -0.39 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.15 1iwk s TYR 305 CO 0.40 -0.31 0.32 -2.00 -1.34 0.00 0.00 175.55 172.62 1iwk s GLU 306 N 0.26 3.22 -0.33 4.97 2.12 -1.26 0.39 118.70 128.07 1iwk s GLU 306 Ca -0.00 -0.78 -0.07 0.00 0.36 0.00 0.00 54.97 54.47 1iwk s GLU 306 Cb -0.04 -3.91 0.03 0.00 0.26 0.00 0.00 34.13 30.47 1iwk s GLU 306 CO 0.01 -0.65 0.11 0.12 -0.54 0.00 0.00 175.26 174.31 1iwk s PHE 307 N 1.83 3.22 -1.29 5.30 5.36 0.11 -4.68 117.98 127.82 1iwk s PHE 307 Ca 0.08 -1.22 -0.08 0.00 -0.96 0.00 0.00 56.93 54.75 1iwk s PHE 307 Cb -0.18 -2.29 -0.00 0.00 -0.34 0.00 0.00 43.02 40.21 1iwk s PHE 307 CO 0.11 -0.67 0.59 0.72 -1.46 0.00 0.00 175.22 174.51 1iwk n HIS 308 N 4.85 -1.77 0.00 10.12 8.25 -1.26 -1.54 115.22 133.87 1iwk n HIS 308 Ca -0.13 0.64 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1iwk n HIS 308 Cb 0.46 -3.71 0.00 0.00 1.12 0.00 0.00 29.99 27.85 1iwk n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iwk n GLY 309 N -1.82 2.97 3.82 -1.41 0.00 -1.26 -5.00 105.19 102.49 1iwk n GLY 309 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1iwk n GLY 309 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwk s VAL 310 N -1.84 5.27 -0.28 1.61 1.01 -0.59 -5.06 120.40 120.52 1iwk s VAL 310 Ca 0.00 0.54 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 1iwk s VAL 310 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1iwk s VAL 310 CO 0.00 0.55 0.55 -1.58 0.00 0.00 0.00 175.10 174.62 1iwk s GLN 311 N -0.67 3.97 -0.14 2.72 -0.44 -1.26 0.06 119.66 123.90 1iwk s GLN 311 Ca 0.19 0.27 -0.05 0.00 -2.50 0.00 0.00 55.36 53.27 1iwk s GLN 311 Cb -0.14 -3.69 -0.04 0.00 -1.64 0.00 0.00 33.01 27.50 1iwk s GLN 311 CO 0.08 -0.45 0.03 -0.51 0.50 0.00 0.00 175.29 174.93 1iwk s LEU 312 N 2.41 3.68 -0.09 3.68 1.43 0.16 -4.96 118.68 124.99 1iwk s LEU 312 Ca 0.22 0.10 -0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1iwk s LEU 312 Cb -0.15 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1iwk s LEU 312 CO 0.10 0.27 0.19 -0.54 0.23 0.00 0.00 176.35 176.60 1iwk s LYS 313 N -0.21 3.52 0.19 1.70 1.02 -1.26 -0.35 119.74 124.34 1iwk s LYS 313 Ca 0.06 -0.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.69 1iwk s LYS 313 Cb -0.12 -3.19 -0.16 0.00 -0.52 0.00 0.00 37.83 33.84 1iwk s LYS 313 CO 0.02 0.76 0.98 1.17 -0.92 0.00 0.00 175.35 177.35 1iwk n LYS 314 N 1.87 0.83 0.00 1.68 4.81 -1.23 -0.27 118.16 125.85 1iwk n LYS 314 Ca -0.18 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1iwk n LYS 314 Cb 0.54 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.94 1iwk n LYS 314 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iwk n GLY 315 N 1.78 2.16 3.77 3.14 0.00 -0.35 -4.94 105.19 110.75 1iwk n GLY 315 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1iwk n GLY 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iwk s ASP 316 N -1.95 6.37 -0.06 1.61 -0.00 0.63 -4.75 116.67 118.52 1iwk s ASP 316 Ca 0.00 2.57 -0.02 0.00 -0.00 0.00 0.00 52.55 55.10 1iwk s ASP 316 Cb 0.00 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 1iwk s ASP 316 CO 0.00 -0.80 0.06 -1.10 -0.00 0.00 0.00 175.17 173.33 1iwk s GLN 317 N -2.24 3.08 -0.06 8.23 -0.21 -1.26 -1.24 119.66 125.97 1iwk s GLN 317 Ca 0.57 -0.40 0.01 0.00 0.02 0.00 0.00 55.36 55.55 1iwk s GLN 317 Cb -0.36 -2.88 0.02 0.00 1.00 0.00 0.00 33.01 30.79 1iwk s GLN 317 CO 0.46 0.69 -0.05 -1.50 -2.12 0.00 0.00 175.29 172.77 1iwk s ILE 318 N -1.04 0.66 -0.12 1.08 2.07 -0.40 -1.35 121.20 122.10 1iwk s ILE 318 Ca 0.18 -0.15 -0.25 0.00 -1.41 0.00 0.00 60.65 59.02 1iwk s ILE 318 Cb -0.12 -0.69 -0.02 0.00 0.13 0.00 0.00 42.46 41.76 1iwk s ILE 318 CO 0.07 0.27 0.80 -0.22 -1.91 0.00 0.00 174.94 173.96 1iwk s LEU 319 N 1.19 4.23 -0.70 8.50 2.96 -0.03 -1.46 118.68 133.39 1iwk s LEU 319 Ca -0.06 1.21 0.05 0.00 -0.22 0.00 0.00 54.13 55.11 1iwk s LEU 319 Cb -0.14 -3.21 0.21 0.00 0.50 0.00 0.00 46.19 43.55 1iwk s LEU 319 CO -0.02 -0.30 0.63 0.18 -1.32 0.00 0.00 176.35 175.52 1iwk n LEU 320 N 4.69 3.44 -4.53 -0.68 4.77 -0.70 -1.96 117.00 122.03 1iwk n LEU 320 Ca 0.03 -5.31 -0.38 0.00 -0.03 0.00 0.00 56.01 50.32 1iwk n LEU 320 Cb 0.50 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 1iwk n LEU 320 CO 0.48 1.87 2.11 -2.65 -1.33 0.00 0.00 177.39 177.87 1iwk n PRO 321 N 1.51 0.60 0.14 3.23 -0.02 -1.26 -4.45 135.00 134.74 1iwk n PRO 321 Ca 0.24 -0.01 0.16 0.00 -2.02 0.00 0.00 63.50 61.87 1iwk n PRO 321 Cb 0.37 -2.63 0.73 0.00 -0.02 0.00 0.00 33.50 31.95 1iwk n PRO 321 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1iwk h GLN 322 N 16.41 0.00 0.00 -0.52 7.50 -1.78 -0.73 115.11 135.99 1iwk h GLN 322 Ca -0.16 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 58.97 1iwk h GLN 322 Cb 1.28 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.81 1iwk h GLN 322 CO 1.26 0.00 -0.09 0.00 -1.50 0.00 0.00 178.83 178.49 1iwk h MET 323 N 0.00 0.00 0.00 1.46 -0.00 -1.66 -3.24 114.93 111.49 1iwk h MET 323 Ca 0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.66 1iwk h MET 323 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.15 1iwk h MET 323 CO -0.00 0.09 -0.92 -0.07 -0.00 0.00 0.00 176.91 176.02 1iwk h LEU 324 N 0.00 0.00 -0.60 -0.10 3.38 -1.44 -3.37 115.31 113.18 1iwk h LEU 324 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1iwk h LEU 324 Cb 0.58 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 1iwk h LEU 324 CO 0.01 0.75 -0.02 0.28 0.09 0.00 0.00 178.44 179.55 1iwk h SER 325 N 0.00 -0.31 0.79 -0.43 0.02 -1.66 -0.67 113.55 111.28 1iwk h SER 325 Ca -0.05 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1iwk h SER 325 Cb 1.62 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1iwk h SER 325 CO 0.09 -0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 1iwk n GLY 326 N -1.37 -1.38 0.00 -3.77 0.00 -1.26 -3.06 105.19 94.35 1iwk n GLY 326 Ca 0.08 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1iwk n GLY 326 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iwk n LEU 327 N -1.40 0.88 -4.63 0.99 4.77 -0.34 -4.73 117.00 112.54 1iwk n LEU 327 Ca 0.10 -0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.27 1iwk n LEU 327 Cb 0.29 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1iwk n LEU 327 CO 0.25 0.22 1.37 -0.62 -1.33 0.00 0.00 177.39 177.28 1iwk s ASP 328 N -3.00 6.42 0.60 -1.43 3.68 -0.71 -4.71 116.67 117.52 1iwk s ASP 328 Ca 0.09 1.72 0.30 0.00 2.13 0.00 0.00 52.55 56.80 1iwk s ASP 328 Cb 0.16 -2.53 1.77 0.00 -1.45 0.00 0.00 42.92 40.87 1iwk s ASP 328 CO 0.83 -1.20 2.15 1.05 0.13 0.00 0.00 175.17 178.13 1iwk h GLU 329 N 10.55 0.00 0.00 4.34 9.09 -1.91 0.15 114.58 136.80 1iwk h GLU 329 Ca -0.34 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.07 1iwk h GLU 329 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1iwk h GLU 329 CO 0.99 0.00 0.00 0.00 0.05 0.00 0.00 179.01 180.05 1iwk h ARG 330 N 0.00 0.00 0.00 1.06 3.08 -1.95 -3.19 114.38 113.38 1iwk h ARG 330 Ca 0.05 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.84 1iwk h ARG 330 Cb 0.34 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 1iwk h ARG 330 CO -0.00 0.00 -2.01 0.39 -1.07 0.00 0.00 179.97 177.28 1iwk n GLU 331 N -2.56 1.26 -3.75 0.04 1.02 -0.04 -4.96 120.64 111.65 1iwk n GLU 331 Ca 0.02 0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 57.00 1iwk n GLU 331 Cb 0.28 -1.37 -0.17 0.00 -0.02 0.00 0.00 31.44 30.16 1iwk n GLU 331 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1iwk s ASN 332 N -5.10 0.83 0.41 1.62 0.01 -0.72 -4.74 114.94 107.24 1iwk s ASN 332 Ca -0.13 0.03 -0.25 0.00 -0.71 0.00 0.00 52.86 51.80 1iwk s ASN 332 Cb 0.05 -0.18 -0.08 0.00 0.41 0.00 0.00 41.25 41.45 1iwk s ASN 332 CO 0.54 -0.19 1.17 0.00 -1.51 0.00 0.00 177.10 177.10 1iwk s ALA 333 N 1.69 3.12 -1.18 0.60 0.00 -1.25 -3.47 121.76 121.28 1iwk s ALA 333 Ca -0.01 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 1iwk s ALA 333 Cb -0.13 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1iwk s ALA 333 CO -0.03 -0.54 0.74 0.00 0.00 0.00 0.00 175.76 175.93 1iwk h PRO 335 N -2.06 0.51 0.00 0.00 0.13 -1.84 -1.54 132.00 127.21 1iwk h PRO 335 Ca -0.67 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1iwk h PRO 335 Cb 1.37 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1iwk h PRO 335 CO 0.50 0.34 0.00 -1.33 -0.23 0.00 0.00 178.00 177.28 1iwk n MET 336 N -4.59 0.03 -3.08 0.86 2.81 -1.26 -4.79 117.12 107.10 1iwk n MET 336 Ca 0.21 0.04 -0.39 0.00 -1.81 0.00 0.00 57.70 55.74 1iwk n MET 336 Cb 0.66 -1.53 -0.05 0.00 -0.71 0.00 0.00 33.22 31.59 1iwk n MET 336 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1iwk s HIS 337 N -3.01 3.65 -0.36 2.03 5.04 -0.58 -5.03 115.29 117.02 1iwk s HIS 337 Ca 0.13 1.29 -0.20 0.00 -1.54 0.00 0.00 55.06 54.74 1iwk s HIS 337 Cb 0.18 -2.75 0.00 0.00 0.04 0.00 0.00 32.58 30.06 1iwk s HIS 337 CO 0.52 0.22 0.63 0.08 -2.34 0.00 0.00 174.74 173.85 1iwk s VAL 338 N 0.26 4.89 -0.28 0.89 1.01 -1.26 -5.02 120.40 120.89 1iwk s VAL 338 Ca 0.36 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.85 1iwk s VAL 338 Cb -0.19 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.20 1iwk s VAL 338 CO 0.19 -0.34 0.06 -0.62 0.00 0.00 0.00 175.10 174.39 1iwk s ASP 339 N 1.81 3.91 0.46 3.32 3.68 -1.26 -4.99 116.67 123.61 1iwk s ASP 339 Ca 0.24 -1.49 0.31 0.00 2.13 0.00 0.00 52.55 53.74 1iwk s ASP 339 Cb -0.14 -0.96 1.60 0.00 -1.45 0.00 0.00 42.92 41.96 1iwk s ASP 339 CO 0.15 -0.36 1.96 -0.26 0.13 0.00 0.00 175.17 176.78 1iwk h PHE 340 N 8.03 0.00 -0.51 -5.34 0.04 -1.95 -2.55 116.94 114.68 1iwk h PHE 340 Ca -0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1iwk h PHE 340 Cb 1.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1iwk h PHE 340 CO 0.38 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.96 1iwk n SER 341 N -2.65 5.17 -4.65 2.17 3.41 -1.26 -4.53 113.62 111.28 1iwk n SER 341 Ca -0.01 -2.89 -0.47 0.00 -0.26 0.00 0.00 58.87 55.24 1iwk n SER 341 Cb 0.11 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.39 1iwk n SER 341 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iwk n ARG 342 N 0.40 1.86 -0.24 4.33 1.74 -0.96 -4.87 116.66 118.92 1iwk n ARG 342 Ca 0.26 0.67 -0.06 0.00 -0.77 0.00 0.00 57.85 57.95 1iwk n ARG 342 Cb 1.09 -2.34 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 1iwk n ARG 342 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1iwk h GLN 343 N 4.72 0.90 -3.45 5.56 1.08 -1.94 -3.40 115.11 118.57 1iwk h GLN 343 Ca -0.45 -0.08 -0.43 0.00 -1.45 0.00 0.00 58.65 56.24 1iwk h GLN 343 Cb 1.28 -0.19 -0.39 0.00 -0.05 0.00 0.00 27.48 28.13 1iwk h GLN 343 CO 0.80 0.64 -0.75 0.21 -0.95 0.00 0.00 178.83 178.77 1iwk s LYS 344 N -5.99 0.29 -0.44 1.46 2.47 -1.26 -5.10 119.74 111.16 1iwk s LYS 344 Ca -0.13 0.12 -0.17 0.00 -1.56 0.00 0.00 55.97 54.23 1iwk s LYS 344 Cb 0.14 -1.06 0.03 0.00 -1.46 0.00 0.00 37.83 35.48 1iwk s LYS 344 CO 0.77 -0.41 0.43 0.08 0.16 0.00 0.00 175.35 176.39 1iwk s VAL 345 N 2.06 5.11 -0.19 4.02 1.01 -1.26 -4.99 120.40 126.16 1iwk s VAL 345 Ca 0.04 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1iwk s VAL 345 Cb -0.13 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1iwk s VAL 345 CO -0.05 -0.47 0.04 -0.55 0.00 0.00 0.00 175.10 174.07 1iwk s SER 346 N 1.99 5.38 0.19 3.32 0.15 -1.26 -5.06 113.70 118.41 1iwk s SER 346 Ca 0.10 -0.01 -0.24 0.00 0.70 0.00 0.00 55.95 56.51 1iwk s SER 346 Cb -0.19 -1.92 0.05 0.00 -1.71 0.00 0.00 66.02 62.25 1iwk s SER 346 CO 0.12 0.14 0.86 -1.38 1.20 0.00 0.00 173.24 174.18 1iwk s HIS 347 N 0.58 -0.17 -0.25 3.44 -3.43 -1.26 -4.15 115.29 110.04 1iwk s HIS 347 Ca 0.02 -0.18 0.20 0.00 -0.80 0.00 0.00 55.06 54.30 1iwk s HIS 347 Cb -0.13 0.66 0.50 0.00 -1.43 0.00 0.00 32.58 32.17 1iwk s HIS 347 CO 0.02 -0.96 1.13 0.25 -2.00 0.00 0.00 174.74 173.17 1iwk n THR 348 N -0.46 1.48 -0.03 -5.38 -2.24 -1.26 -4.90 114.28 101.49 1iwk n THR 348 Ca -0.06 -3.10 0.07 0.00 -2.27 0.00 0.00 64.05 58.70 1iwk n THR 348 Cb 0.60 0.79 0.46 0.00 -2.10 0.00 0.00 70.33 70.08 1iwk n THR 348 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1iwk h THR 349 N 4.93 1.01 -0.55 4.28 2.02 -1.87 0.15 112.91 122.88 1iwk h THR 349 Ca -0.04 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1iwk h THR 349 Cb 1.35 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1iwk h THR 349 CO 0.29 0.09 0.00 0.49 0.37 0.00 0.00 175.52 176.76 1iwk n PHE 350 N -4.48 1.72 -1.29 3.16 3.72 -1.26 -4.82 117.46 114.22 1iwk n PHE 350 Ca 0.06 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 1iwk n PHE 350 Cb 0.19 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 1iwk n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1iwk n GLY 351 N 0.76 -1.99 3.52 1.37 0.00 0.04 -0.55 105.19 108.34 1iwk n GLY 351 Ca 0.25 -1.84 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 1iwk n GLY 351 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1iwk s HIS 352 N -0.09 -0.64 0.00 1.61 2.46 -1.26 -4.71 115.29 112.66 1iwk s HIS 352 Ca 0.00 1.10 0.00 0.00 0.47 0.00 0.00 55.06 56.63 1iwk s HIS 352 Cb 0.00 0.41 0.00 0.00 -0.13 0.00 0.00 32.58 32.86 1iwk s HIS 352 CO 0.00 -0.59 0.00 0.41 -2.47 0.00 0.00 174.74 172.09 1iwk n GLY 353 N 0.91 -1.79 0.00 1.59 0.00 -1.26 -4.22 105.19 100.42 1iwk n GLY 353 Ca -0.18 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.19 1iwk n GLY 353 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iwk n SER 354 N 0.24 0.00 -1.34 1.61 3.41 -1.26 -2.17 113.62 114.11 1iwk n SER 354 Ca 0.00 0.47 0.08 0.00 -0.26 0.00 0.00 58.87 59.16 1iwk n SER 354 Cb 0.00 -0.48 0.32 0.00 -0.26 0.00 0.00 64.21 63.79 1iwk n SER 354 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1iwk n HIS 355 N -1.48 1.41 -1.59 7.33 -0.00 -1.26 -5.01 115.22 114.63 1iwk n HIS 355 Ca 0.02 -0.77 -0.51 0.00 -0.00 0.00 0.00 57.72 56.46 1iwk n HIS 355 Cb 0.06 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.99 29.64 1iwk n HIS 355 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1iwk n LEU 356 N 0.16 1.64 -4.65 2.41 7.94 -0.92 -4.75 117.00 118.83 1iwk n LEU 356 Ca 0.24 1.13 -0.60 0.00 -1.11 0.00 0.00 56.01 55.66 1iwk n LEU 356 Cb 0.99 -1.21 -0.08 0.00 0.53 0.00 0.00 43.42 43.65 1iwk n LEU 356 CO 0.22 -1.12 0.99 0.00 -1.11 0.00 0.00 177.39 176.38 1iwk h LEU 358 N 4.92 0.00 -3.40 0.00 3.38 -1.91 -3.27 115.31 115.03 1iwk h LEU 358 Ca -0.47 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 1iwk h LEU 358 Cb 1.37 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 1iwk h LEU 358 CO 0.85 0.59 0.14 0.61 0.09 0.00 0.00 178.44 180.72 1iwk n GLY 359 N 1.01 3.17 0.19 0.83 0.00 -1.26 -4.51 105.19 104.61 1iwk n GLY 359 Ca 0.01 -0.86 0.04 0.00 0.00 0.00 0.00 46.02 45.21 1iwk n GLY 359 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1iwk h GLN 360 N 2.90 0.00 -0.10 1.61 3.07 -1.91 -0.57 115.11 120.12 1iwk h GLN 360 Ca 0.14 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.78 1iwk h GLN 360 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.59 1iwk h GLN 360 CO 0.57 0.38 -0.32 0.45 0.09 0.00 0.00 178.83 180.01 1iwk h HIS 361 N 0.00 0.51 -0.59 0.06 3.86 -1.88 -0.83 115.15 116.27 1iwk h HIS 361 Ca -0.00 -0.21 0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1iwk h HIS 361 Cb 0.75 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 1iwk h HIS 361 CO 0.00 0.93 0.39 1.25 0.86 0.00 0.00 177.93 181.36 1iwk h LEU 362 N -0.06 0.67 0.39 2.43 5.85 -1.79 -1.60 115.31 121.20 1iwk h LEU 362 Ca -0.01 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1iwk h LEU 362 Cb 0.94 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1iwk h LEU 362 CO 0.07 0.49 -0.27 0.00 -0.34 0.00 0.00 178.44 178.39 1iwk h ALA 363 N 1.22 -0.64 -0.94 1.25 0.00 -1.00 -1.83 119.26 117.32 1iwk h ALA 363 Ca 0.22 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1iwk h ALA 363 Cb -0.09 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1iwk h ALA 363 CO -0.05 -0.87 0.61 0.00 0.00 0.00 0.00 179.25 178.93 1iwk h ARG 364 N -0.64 0.98 -0.42 0.00 3.08 -0.99 -1.17 114.38 115.22 1iwk h ARG 364 Ca -0.04 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1iwk h ARG 364 Cb 0.54 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1iwk h ARG 364 CO 0.02 0.65 0.20 -0.09 -1.07 0.00 0.00 179.97 179.67 1iwk h ARG 365 N 1.01 0.60 -0.15 0.04 9.65 -0.96 -0.52 114.38 124.04 1iwk h ARG 365 Ca 0.42 -0.09 -0.08 0.00 -1.10 0.00 0.00 59.98 59.13 1iwk h ARG 365 Cb 0.31 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1iwk h ARG 365 CO -0.18 0.53 -0.28 0.93 2.80 0.00 0.00 179.97 183.77 1iwk h GLU 366 N 0.53 0.28 0.08 0.20 5.08 -0.56 -1.71 114.58 118.48 1iwk h GLU 366 Ca 0.14 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1iwk h GLU 366 Cb 0.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1iwk h GLU 366 CO -0.02 0.54 -0.04 0.82 -1.00 0.00 0.00 179.01 179.32 1iwk h ILE 367 N 0.25 1.19 -0.70 3.13 2.04 -0.92 -2.47 117.51 120.03 1iwk h ILE 367 Ca 0.04 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 1iwk h ILE 367 Cb 0.63 1.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1iwk h ILE 367 CO 0.05 0.29 0.40 0.40 0.00 0.00 0.00 178.15 179.29 1iwk h ILE 368 N -0.69 1.20 -0.31 -0.67 2.04 -1.08 -1.23 117.51 116.78 1iwk h ILE 368 Ca -0.01 -0.48 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 1iwk h ILE 368 Cb 0.55 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1iwk h ILE 368 CO 0.02 0.22 -0.11 0.58 0.00 0.00 0.00 178.15 178.85 1iwk h VAL 369 N 0.97 1.29 -0.26 1.67 2.07 -1.37 -2.16 116.25 118.47 1iwk h VAL 369 Ca 0.25 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1iwk h VAL 369 Cb -0.01 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1iwk h VAL 369 CO -0.04 0.38 0.16 0.74 0.02 0.00 0.00 177.57 178.83 1iwk h THR 370 N 0.39 1.05 0.14 2.57 2.02 -1.03 -0.36 112.91 117.69 1iwk h THR 370 Ca 0.07 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1iwk h THR 370 Cb 0.62 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1iwk h THR 370 CO 0.04 0.06 -0.10 -0.07 0.37 0.00 0.00 175.52 175.82 1iwk h LEU 371 N 0.33 -0.26 -0.23 2.58 3.38 -1.21 -1.19 115.31 118.71 1iwk h LEU 371 Ca 0.10 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1iwk h LEU 371 Cb -0.02 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1iwk h LEU 371 CO -0.03 -0.16 0.13 0.50 0.09 0.00 0.00 178.44 178.96 1iwk h LYS 372 N -0.25 0.32 -0.01 1.13 3.11 -1.24 -2.66 116.57 116.96 1iwk h LYS 372 Ca -0.01 -0.04 -0.16 0.00 -2.81 0.00 0.00 60.65 57.64 1iwk h LYS 372 Cb 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.37 1iwk h LYS 372 CO -0.00 0.29 -0.71 0.93 -2.81 0.00 0.00 179.45 177.15 1iwk h GLU 373 N 0.26 0.09 0.16 1.90 4.39 -1.05 -2.98 114.58 117.35 1iwk h GLU 373 Ca 0.08 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1iwk h GLU 373 Cb 0.07 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1iwk h GLU 373 CO -0.01 0.76 -0.08 2.35 -1.16 0.00 0.00 179.01 180.87 1iwk h TRP 374 N 0.06 -0.20 0.00 4.33 2.91 -1.22 -3.10 115.95 118.73 1iwk h TRP 374 Ca -0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1iwk h TRP 374 Cb 1.26 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.98 1iwk h TRP 374 CO 0.01 0.24 0.00 -0.07 -1.03 0.00 0.00 178.44 177.59 1iwk h LEU 375 N -0.81 0.00 -0.08 0.65 3.38 -1.59 0.56 115.31 117.42 1iwk h LEU 375 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1iwk h LEU 375 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1iwk h LEU 375 CO 0.04 0.00 -0.57 0.74 0.09 0.00 0.00 178.44 178.73 1iwk h THR 376 N 0.00 1.37 0.04 0.22 2.02 -1.52 -3.19 112.91 111.84 1iwk h THR 376 Ca 0.00 -1.91 -0.34 0.00 0.77 0.00 0.00 66.41 64.93 1iwk h THR 376 Cb 0.18 2.28 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 1iwk h THR 376 CO 0.00 0.57 -2.00 0.54 0.37 0.00 0.00 175.52 175.01 1iwk n ARG 377 N -4.19 0.68 -3.46 6.66 1.74 -0.90 -4.51 116.66 112.69 1iwk n ARG 377 Ca -0.09 0.22 -0.26 0.00 -0.77 0.00 0.00 57.85 56.95 1iwk n ARG 377 Cb 0.64 -1.69 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 1iwk n ARG 377 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1iwk n ILE 378 N -3.16 0.43 0.19 0.55 5.41 0.19 0.33 119.36 123.30 1iwk n ILE 378 Ca -0.28 -4.34 0.05 0.00 1.00 0.00 0.00 62.75 59.18 1iwk n ILE 378 Cb 1.06 -1.96 0.40 0.00 -0.71 0.00 0.00 39.64 38.42 1iwk n ILE 378 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1iwk h PRO 379 N 4.79 0.00 -4.99 0.38 0.13 -1.71 -3.39 132.00 127.20 1iwk h PRO 379 Ca 0.17 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.64 1iwk h PRO 379 Cb 0.81 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.58 1iwk h PRO 379 CO 0.59 0.35 -0.85 -0.51 -0.23 0.00 0.00 178.00 177.35 1iwk s ASP 380 N -6.67 3.33 0.21 1.44 1.11 -1.26 -4.90 116.67 109.94 1iwk s ASP 380 Ca -0.02 -0.77 -0.18 0.00 0.18 0.00 0.00 52.55 51.76 1iwk s ASP 380 Cb 0.13 -1.47 0.03 0.00 1.07 0.00 0.00 42.92 42.68 1iwk s ASP 380 CO 0.70 -0.04 0.56 0.72 1.18 0.00 0.00 175.17 178.28 1iwk s PHE 381 N 1.27 -0.11 0.32 4.23 -0.12 -1.26 -4.61 117.98 117.71 1iwk s PHE 381 Ca 0.03 -0.25 -0.11 0.00 -0.05 0.00 0.00 56.93 56.54 1iwk s PHE 381 Cb -0.14 0.43 0.02 0.00 -0.63 0.00 0.00 43.02 42.70 1iwk s PHE 381 CO -0.11 -0.97 0.59 -1.54 -0.05 0.00 0.00 175.22 173.13 1iwk s SER 382 N -2.89 0.24 0.15 1.98 1.04 -0.92 -4.75 113.70 108.56 1iwk s SER 382 Ca 0.10 -1.14 -0.26 0.00 0.48 0.00 0.00 55.95 55.13 1iwk s SER 382 Cb -0.02 0.70 -0.08 0.00 0.10 0.00 0.00 66.02 66.73 1iwk s SER 382 CO -0.01 -1.37 0.81 -0.63 0.98 0.00 0.00 173.24 173.03 1iwk s ILE 383 N -3.21 4.39 0.42 -1.02 1.01 -1.26 -1.43 121.20 120.11 1iwk s ILE 383 Ca 0.22 1.77 -0.25 0.00 0.00 0.00 0.00 60.65 62.39 1iwk s ILE 383 Cb -0.02 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 1iwk s ILE 383 CO 0.13 0.48 1.22 0.00 0.00 0.00 0.00 174.94 176.77 1iwk n ALA 384 N 1.87 1.08 -1.77 9.38 0.00 -0.20 -4.80 120.51 126.08 1iwk n ALA 384 Ca -0.04 0.25 -0.40 0.00 0.00 0.00 0.00 53.44 53.25 1iwk n ALA 384 Cb 0.49 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 1iwk n ALA 384 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1iwk s PRO 385 N -2.19 4.18 0.00 0.00 0.02 -1.26 -2.74 135.00 133.01 1iwk s PRO 385 Ca 0.62 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.83 1iwk s PRO 385 Cb -0.52 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.08 1iwk s PRO 385 CO 0.57 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 177.33 1iwk n GLY 386 N 0.72 2.94 3.74 0.52 0.00 -1.26 -4.99 105.19 106.87 1iwk n GLY 386 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1iwk n GLY 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iwk s ALA 387 N -1.75 3.39 -0.30 4.61 0.00 -1.11 -5.01 121.76 121.59 1iwk s ALA 387 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.80 1iwk s ALA 387 Cb 0.00 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.83 1iwk s ALA 387 CO 0.00 -0.20 -0.00 -0.65 0.00 0.00 0.00 175.76 174.91 1iwk s GLN 388 N -0.69 2.32 -0.17 0.00 -0.21 -1.26 -4.95 119.66 114.69 1iwk s GLN 388 Ca 0.48 -1.35 -0.29 0.00 0.02 0.00 0.00 55.36 54.21 1iwk s GLN 388 Cb -0.30 -3.16 -0.02 0.00 1.00 0.00 0.00 33.01 30.53 1iwk s GLN 388 CO 0.37 -0.66 1.39 0.42 -2.12 0.00 0.00 175.29 174.68 1iwk s ILE 389 N 1.20 4.05 -0.14 1.08 -1.09 -1.26 -5.00 121.20 120.03 1iwk s ILE 389 Ca -0.04 1.25 -0.04 0.00 -2.23 0.00 0.00 60.65 59.59 1iwk s ILE 389 Cb -0.20 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 1iwk s ILE 389 CO -0.02 -0.20 -0.02 -1.10 -1.23 0.00 0.00 174.94 172.37 1iwk s GLN 390 N 3.86 3.58 0.38 2.79 -0.21 -1.26 -5.01 119.66 123.79 1iwk s GLN 390 Ca 0.61 -0.48 0.04 0.00 0.02 0.00 0.00 55.36 55.55 1iwk s GLN 390 Cb -0.23 -2.93 -0.01 0.00 1.00 0.00 0.00 33.01 30.84 1iwk s GLN 390 CO 0.21 0.33 0.55 -1.01 -2.12 0.00 0.00 175.29 173.25 1iwk s HIS 391 N 0.12 3.17 -0.01 0.91 3.76 -1.26 -0.48 115.29 121.50 1iwk s HIS 391 Ca 0.00 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 1iwk s HIS 391 Cb -0.13 -2.12 -0.00 0.00 1.11 0.00 0.00 32.58 31.43 1iwk s HIS 391 CO 0.02 -0.15 -0.04 0.15 -0.85 0.00 0.00 174.74 173.88 1iwk s LYS 392 N -4.33 0.34 0.12 1.40 -0.14 0.62 -4.83 119.74 112.91 1iwk s LYS 392 Ca 0.46 -0.13 0.02 0.00 -1.36 0.00 0.00 55.97 54.97 1iwk s LYS 392 Cb -0.10 -0.34 -0.04 0.00 -1.68 0.00 0.00 37.83 35.68 1iwk s LYS 392 CO 0.34 0.07 0.21 0.45 -0.76 0.00 0.00 175.35 175.66 1iwk s SER 393 N 0.01 6.10 0.00 2.83 0.15 -1.26 -1.17 113.70 120.36 1iwk s SER 393 Ca 0.00 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1iwk s SER 393 Cb -0.03 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1iwk s SER 393 CO -0.00 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1iwk n GLY 394 N -0.18 -0.55 0.32 9.45 0.00 -1.19 -4.66 105.19 108.38 1iwk n GLY 394 Ca -0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 1iwk n GLY 394 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iwk h ILE 395 N 0.00 1.20 -3.22 -0.61 1.08 -1.34 -3.38 117.51 111.24 1iwk h ILE 395 Ca 0.00 -0.56 -0.53 0.00 -0.39 0.00 0.00 64.86 63.39 1iwk h ILE 395 Cb 0.00 0.44 -0.37 0.00 -3.07 0.00 0.00 36.82 33.82 1iwk h ILE 395 CO 0.00 0.23 -0.80 -0.69 -0.69 0.00 0.00 178.15 176.20 1iwk s VAL 396 N -5.48 0.99 0.59 1.67 1.01 -1.26 -0.48 120.40 117.44 1iwk s VAL 396 Ca -0.10 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1iwk s VAL 396 Cb 0.17 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1iwk s VAL 396 CO 0.78 0.30 1.00 -0.44 0.00 0.00 0.00 175.10 176.73 1iwk s SER 397 N 1.71 6.30 0.31 3.32 0.01 0.01 -4.68 113.70 120.68 1iwk s SER 397 Ca 0.04 1.39 -0.04 0.00 1.31 0.00 0.00 55.95 58.65 1iwk s SER 397 Cb -0.13 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1iwk s SER 397 CO -0.08 -0.79 0.48 0.61 0.41 0.00 0.00 173.24 173.87 1iwk n GLY 398 N -2.50 1.99 3.35 3.44 0.00 -0.32 -4.80 105.19 106.35 1iwk n GLY 398 Ca 0.05 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 1iwk n GLY 398 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iwk s VAL 399 N -2.64 2.73 0.08 1.61 1.01 -1.26 -0.28 120.40 121.65 1iwk s VAL 399 Ca 0.22 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1iwk s VAL 399 Cb -0.02 -2.10 -0.12 0.00 0.00 0.00 0.00 36.38 34.14 1iwk s VAL 399 CO 0.16 0.55 1.65 -0.61 0.00 0.00 0.00 175.10 176.85 1iwk h GLN 400 N 6.38 0.14 -2.35 2.72 4.15 -1.10 -3.47 115.11 121.58 1iwk h GLN 400 Ca -0.29 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.13 1iwk h GLN 400 Cb 1.20 -0.03 -0.16 0.00 0.21 0.00 0.00 27.48 28.70 1iwk h GLN 400 CO 0.52 0.22 0.32 0.00 -1.93 0.00 0.00 178.83 177.96 1iwk s ALA 401 N -5.71 -1.75 -0.40 3.38 0.00 -1.26 -5.00 121.76 111.02 1iwk s ALA 401 Ca -0.14 1.00 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1iwk s ALA 401 Cb 0.06 0.31 0.16 0.00 0.00 0.00 0.00 23.12 23.65 1iwk s ALA 401 CO 0.68 -0.58 0.29 -1.17 0.00 0.00 0.00 175.76 174.98 1iwk s LEU 402 N -2.04 1.47 -0.19 0.00 2.96 -1.26 -4.57 118.68 115.05 1iwk s LEU 402 Ca -0.02 -2.71 -0.29 0.00 -0.22 0.00 0.00 54.13 50.89 1iwk s LEU 402 Cb -0.01 -0.52 -0.02 0.00 0.50 0.00 0.00 46.19 46.15 1iwk s LEU 402 CO -0.04 -0.23 1.44 -2.84 -1.32 0.00 0.00 176.35 173.36 1iwk s PRO 403 N 0.43 4.04 0.22 0.98 0.02 -1.26 -0.89 135.00 138.53 1iwk s PRO 403 Ca 0.25 1.66 0.10 0.00 0.02 0.00 0.00 61.00 63.03 1iwk s PRO 403 Cb -0.10 -3.90 -0.04 0.00 0.02 0.00 0.00 34.50 30.48 1iwk s PRO 403 CO -0.10 -0.98 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.00 1iwk s LEU 404 N 4.25 2.99 0.03 -5.54 1.43 0.46 -1.03 118.68 121.27 1iwk s LEU 404 Ca 0.63 -0.66 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 1iwk s LEU 404 Cb -0.23 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1iwk s LEU 404 CO 0.23 0.06 0.12 0.68 0.23 0.00 0.00 176.35 177.67 1iwk s VAL 405 N -2.00 0.12 -0.05 -1.59 -7.23 -0.51 -1.98 120.40 107.17 1iwk s VAL 405 Ca 0.27 -1.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.14 1iwk s VAL 405 Cb -0.08 -0.84 0.11 0.00 0.56 0.00 0.00 36.38 36.13 1iwk s VAL 405 CO 0.17 -0.56 0.91 -1.66 -0.31 0.00 0.00 175.10 173.65 1iwk s TRP 406 N -2.47 -0.36 -0.37 2.82 -2.14 0.36 -2.16 118.94 114.62 1iwk s TRP 406 Ca -0.06 0.33 -0.25 0.00 2.66 0.00 0.00 56.10 58.79 1iwk s TRP 406 Cb -0.02 0.51 0.01 0.00 -3.10 0.00 0.00 33.47 30.88 1iwk s TRP 406 CO -0.04 -0.49 0.87 0.34 -2.66 0.00 0.00 176.95 174.97 1iwk s ASP 407 N -2.12 6.62 0.46 -2.66 3.68 -1.26 -4.38 116.67 117.01 1iwk s ASP 407 Ca 0.03 0.46 0.19 0.00 2.13 0.00 0.00 52.55 55.36 1iwk s ASP 407 Cb -0.01 -2.44 1.17 0.00 -1.45 0.00 0.00 42.92 40.19 1iwk s ASP 407 CO -0.06 -0.82 1.94 -0.65 0.13 0.00 0.00 175.17 175.71 1iwk h PRO 408 N 8.52 0.27 -0.21 4.34 0.11 -1.88 -0.17 132.00 142.99 1iwk h PRO 408 Ca -0.24 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.92 1iwk h PRO 408 Cb 1.08 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1iwk h PRO 408 CO 0.96 0.18 0.25 0.00 -0.21 0.00 0.00 178.00 179.17 1iwk h ALA 409 N 1.66 1.83 -0.01 -0.75 0.00 -1.93 0.17 119.26 120.23 1iwk h ALA 409 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1iwk h ALA 409 Cb 0.95 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1iwk h ALA 409 CO -0.08 -0.36 -0.31 0.25 0.00 0.00 0.00 179.25 178.75 1iwk n THR 410 N -3.75 0.00 -1.83 0.00 -2.24 -0.08 -4.94 114.28 101.44 1iwk n THR 410 Ca 0.02 -0.16 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 1iwk n THR 410 Cb 0.37 0.58 0.09 0.00 -2.10 0.00 0.00 70.33 69.27 1iwk n THR 410 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1iwk s THR 411 N -2.50 2.33 -0.17 4.28 -4.23 0.59 -4.73 115.64 111.22 1iwk s THR 411 Ca 0.23 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1iwk s THR 411 Cb 0.19 -3.06 0.05 0.00 1.34 0.00 0.00 72.50 71.02 1iwk s THR 411 CO 0.53 -0.14 -0.01 -0.54 -0.54 0.00 0.00 174.62 173.92 1iwk s LYS 412 N -5.48 0.98 -0.13 3.99 1.02 0.15 -5.01 119.74 115.26 1iwk s LYS 412 Ca 0.61 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.90 1iwk s LYS 412 Cb -0.12 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1iwk s LYS 412 CO 0.50 -0.51 1.21 0.00 -0.92 0.00 0.00 175.35 175.63 1iwk s ALA 413 N 1.77 3.60 -0.18 5.17 0.00 -1.26 -4.16 121.76 126.70 1iwk s ALA 413 Ca 0.00 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1iwk s ALA 413 Cb -0.16 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.40 1iwk s ALA 413 CO -0.07 -1.01 0.55 0.28 0.00 0.00 0.00 175.76 175.51