#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww3 s ASP 21 N 0.00 5.10 -0.01 4.39 2.15 -1.26 -4.97 116.67 122.07 2ww3 s ASP 21 Ca 0.00 0.01 0.13 0.00 0.43 0.00 0.00 52.55 53.11 2ww3 s ASP 21 Cb 0.00 -1.69 -0.16 0.00 -0.30 0.00 0.00 42.92 40.77 2ww3 s ASP 21 CO 0.00 0.25 0.45 0.79 -0.17 0.00 0.00 175.17 176.49 2ww3 n TRP 22 N 3.03 0.00 0.26 -5.34 8.01 -1.26 -4.57 117.44 117.58 2ww3 n TRP 22 Ca -0.18 0.00 0.13 0.00 -1.31 0.00 0.00 57.50 56.14 2ww3 n TRP 22 Cb 0.53 -0.10 0.72 0.00 -2.01 0.00 0.00 31.31 30.45 2ww3 n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2ww3 h THR 23 N 0.00 0.52 -0.19 -0.99 1.35 -1.93 -2.26 112.91 109.41 2ww3 h THR 23 Ca 0.00 -0.55 0.06 0.00 -0.55 0.00 0.00 66.41 65.36 2ww3 h THR 23 Cb 0.40 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 2ww3 h THR 23 CO 0.00 0.12 0.26 0.06 -0.25 0.00 0.00 175.52 175.71 2ww3 h GLN 24 N 0.00 0.00 -0.00 4.72 3.07 -2.02 -1.10 115.11 119.79 2ww3 h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ww3 h GLN 24 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.92 2ww3 h GLN 24 CO 0.02 0.00 -0.56 0.66 0.09 0.00 0.00 178.83 179.03 2ww3 n TYR 25 N -3.58 0.00 -2.89 0.06 4.01 -0.85 -4.89 117.16 109.02 2ww3 n TYR 25 Ca 0.02 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 2ww3 n TYR 25 Cb 0.38 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 2ww3 n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ww3 s VAL 26 N -2.87 4.89 -0.46 -0.72 1.01 -0.42 -4.21 120.40 117.62 2ww3 s VAL 26 Ca 0.13 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.70 2ww3 s VAL 26 Cb 0.18 -4.13 0.12 0.00 0.00 0.00 0.00 36.38 32.54 2ww3 s VAL 26 CO 0.70 0.04 0.28 0.21 0.00 0.00 0.00 175.10 176.32 2ww3 s ASN 27 N 1.14 5.34 0.06 3.32 2.47 -1.26 -4.82 114.94 121.19 2ww3 s ASN 27 Ca 0.38 -2.18 0.10 0.00 0.42 0.00 0.00 52.86 51.59 2ww3 s ASN 27 Cb -0.17 -1.87 0.46 0.00 -1.45 0.00 0.00 41.25 38.23 2ww3 s ASN 27 CO 0.13 -0.54 1.32 -2.65 -3.72 0.00 0.00 177.10 171.64 2ww3 n PRO 28 N 4.42 0.04 0.04 0.43 -0.02 -1.26 -1.52 135.00 137.12 2ww3 n PRO 28 Ca -0.01 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 2ww3 n PRO 28 Cb 0.41 -1.59 0.49 0.00 -0.02 0.00 0.00 33.50 32.78 2ww3 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww3 n LEU 29 N -1.66 0.35 -4.61 2.45 4.77 -1.26 -3.64 117.00 113.40 2ww3 n LEU 29 Ca 0.01 0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 56.02 2ww3 n LEU 29 Cb 0.09 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2ww3 n LEU 29 CO 0.08 -0.05 1.79 -0.32 -1.33 0.00 0.00 177.39 177.56 2ww3 s MET 30 N -3.04 3.32 0.00 3.23 1.75 -0.58 -1.32 119.30 122.67 2ww3 s MET 30 Ca 0.12 2.10 0.00 0.00 -1.25 0.00 0.00 55.69 56.67 2ww3 s MET 30 Cb 0.16 -4.33 0.00 0.00 2.84 0.00 0.00 34.83 33.51 2ww3 s MET 30 CO 0.58 -1.89 0.00 0.41 -0.65 0.00 0.00 175.02 173.47 2ww3 n GLY 31 N 5.52 0.55 0.23 2.11 0.00 0.50 -4.75 105.19 109.34 2ww3 n GLY 31 Ca 0.28 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.43 2ww3 n GLY 31 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ww3 h SER 32 N 0.00 0.00 -0.63 1.61 4.64 -0.77 -1.49 113.55 116.90 2ww3 h SER 32 Ca 0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 2ww3 h SER 32 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 2ww3 h SER 32 CO 0.00 0.00 2.67 1.67 -0.87 0.00 0.00 176.83 180.30 2ww3 n GLN 33 N -3.09 3.28 -4.18 4.77 7.27 -0.70 -2.12 117.38 122.60 2ww3 n GLN 33 Ca 0.03 -3.01 -0.16 0.00 0.07 0.00 0.00 57.00 53.93 2ww3 n GLN 33 Cb 0.48 -3.09 -0.13 0.00 2.41 0.00 0.00 30.24 29.91 2ww3 n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ww3 s SER 34 N 2.04 1.06 0.34 1.69 0.01 -1.26 -4.46 113.70 113.12 2ww3 s SER 34 Ca 0.45 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.35 2ww3 s SER 34 Cb 0.12 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.25 2ww3 s SER 34 CO -0.05 -0.06 0.04 0.42 0.41 0.00 0.00 173.24 174.00 2ww3 s THR 35 N -0.89 1.42 0.45 1.44 -4.23 -1.12 -4.94 115.64 107.76 2ww3 s THR 35 Ca -0.03 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.58 2ww3 s THR 35 Cb -0.07 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 71.21 2ww3 s THR 35 CO 0.01 -0.02 2.08 0.15 -0.54 0.00 0.00 174.62 176.30 2ww3 h PHE 36 N 2.04 0.36 0.01 3.99 3.57 -2.02 -2.77 116.94 122.11 2ww3 h PHE 36 Ca -0.42 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 60.90 2ww3 h PHE 36 Cb 1.24 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 2ww3 h PHE 36 CO 0.62 0.22 -0.89 0.93 -2.23 0.00 0.00 178.31 176.96 2ww3 h GLU 37 N 0.38 0.10 -1.84 1.11 3.07 -1.96 -3.39 114.58 112.04 2ww3 h GLU 37 Ca 0.12 -0.12 -0.16 0.00 -0.50 0.00 0.00 59.36 58.70 2ww3 h GLU 37 Cb 0.03 0.04 -0.29 0.00 -0.84 0.00 0.00 28.75 27.68 2ww3 h GLU 37 CO -0.03 0.92 -0.50 -1.17 -1.40 0.00 0.00 179.01 176.84 2ww3 s LEU 38 N -7.20 -0.67 0.25 1.33 2.96 -1.05 -4.13 118.68 110.17 2ww3 s LEU 38 Ca -0.01 0.06 -0.30 0.00 -0.22 0.00 0.00 54.13 53.66 2ww3 s LEU 38 Cb 0.10 1.11 -0.09 0.00 0.50 0.00 0.00 46.19 47.81 2ww3 s LEU 38 CO 0.82 -0.32 1.04 -0.55 -1.32 0.00 0.00 176.35 176.02 2ww3 s SER 39 N 2.54 7.42 -0.17 3.68 0.15 -1.24 -2.79 113.70 123.28 2ww3 s SER 39 Ca 0.12 2.11 0.15 0.00 0.70 0.00 0.00 55.95 59.03 2ww3 s SER 39 Cb -0.15 -2.62 0.37 0.00 -1.71 0.00 0.00 66.02 61.91 2ww3 s SER 39 CO -0.20 -0.04 1.21 0.35 1.20 0.00 0.00 173.24 175.76 2ww3 n THR 40 N 1.51 2.08 0.00 6.45 -2.24 -1.26 -3.46 114.28 117.36 2ww3 n THR 40 Ca -0.01 -2.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.08 2ww3 n THR 40 Cb 0.46 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2ww3 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww3 n GLY 41 N -1.25 2.53 3.80 3.38 0.00 -0.97 -1.61 105.19 111.06 2ww3 n GLY 41 Ca 0.18 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2ww3 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww3 n ASN 42 N 0.00 -1.75 -4.83 1.61 3.02 -0.92 -1.47 115.26 110.92 2ww3 n ASN 42 Ca 0.00 -0.85 -0.21 0.00 -0.03 0.00 0.00 54.58 53.49 2ww3 n ASN 42 Cb 0.00 -3.82 -0.04 0.00 -0.61 0.00 0.00 39.78 35.31 2ww3 n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ww3 s THR 43 N -3.64 3.36 0.23 3.41 -4.23 -0.61 -4.58 115.64 109.58 2ww3 s THR 43 Ca 0.15 -1.43 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 2ww3 s THR 43 Cb -0.07 -3.13 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2ww3 s THR 43 CO 0.83 -0.16 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.92 2ww3 s TYR 44 N -2.34 1.80 -0.69 3.99 1.13 -1.26 -3.87 117.35 116.12 2ww3 s TYR 44 Ca 0.41 -0.63 -0.27 0.00 -1.41 0.00 0.00 57.07 55.18 2ww3 s TYR 44 Cb -0.05 -0.92 0.00 0.00 -1.10 0.00 0.00 41.96 39.90 2ww3 s TYR 44 CO 0.26 0.32 1.60 -1.25 -2.51 0.00 0.00 175.55 173.97 2ww3 s PRO 45 N -3.68 2.89 -0.77 -3.49 0.05 -1.24 -4.92 135.00 123.85 2ww3 s PRO 45 Ca 0.25 0.16 -0.27 0.00 0.05 0.00 0.00 61.00 61.20 2ww3 s PRO 45 Cb 0.01 -4.35 0.03 0.00 0.05 0.00 0.00 34.50 30.24 2ww3 s PRO 45 CO 0.09 -2.49 1.32 0.00 0.05 0.00 0.00 177.00 175.97 2ww3 s ALA 46 N 7.55 2.73 -0.42 8.56 0.00 -1.26 -4.48 121.76 134.43 2ww3 s ALA 46 Ca 0.53 -1.45 -0.24 0.00 0.00 0.00 0.00 51.96 50.79 2ww3 s ALA 46 Cb -0.10 -4.29 0.02 0.00 0.00 0.00 0.00 23.12 18.75 2ww3 s ALA 46 CO 0.17 -3.35 0.86 0.42 0.00 0.00 0.00 175.76 173.86 2ww3 s ILE 47 N 5.76 4.59 -0.12 0.00 -1.09 -0.51 -4.78 121.20 125.05 2ww3 s ILE 47 Ca 0.37 0.77 -0.33 0.00 -2.23 0.00 0.00 60.65 59.24 2ww3 s ILE 47 Cb -0.07 -4.34 0.13 0.00 -1.58 0.00 0.00 42.46 36.59 2ww3 s ILE 47 CO 0.12 -0.67 1.09 0.00 -1.23 0.00 0.00 174.94 174.26 2ww3 s ALA 48 N 3.45 -1.98 0.60 9.38 0.00 -0.59 -1.53 121.76 131.08 2ww3 s ALA 48 Ca 0.34 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 2ww3 s ALA 48 Cb -0.12 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2ww3 s ALA 48 CO 0.22 -0.62 1.01 1.03 0.00 0.00 0.00 175.76 177.40 2ww3 s ARG 49 N -2.64 3.66 0.16 0.00 1.81 -1.26 -4.61 118.95 116.07 2ww3 s ARG 49 Ca 0.08 0.76 -0.34 0.00 -1.72 0.00 0.00 55.73 54.51 2ww3 s ARG 49 Cb -0.01 -2.10 -0.15 0.00 -0.45 0.00 0.00 34.95 32.24 2ww3 s ARG 49 CO -0.06 -0.50 1.39 -2.30 -0.68 0.00 0.00 175.30 173.15 2ww3 n PRO 50 N -2.52 1.67 -2.02 3.54 -0.02 -1.26 -0.51 135.00 133.88 2ww3 n PRO 50 Ca 0.06 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 2ww3 n PRO 50 Cb 0.54 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 2ww3 n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2ww3 n TRP 51 N 2.43 -1.02 -1.61 6.00 8.01 -0.59 -4.88 117.44 125.78 2ww3 n TRP 51 Ca 0.16 0.00 -0.46 0.00 -1.31 0.00 0.00 57.50 55.89 2ww3 n TRP 51 Cb 0.26 -2.66 -0.03 0.00 -2.01 0.00 0.00 31.31 26.87 2ww3 n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ww3 n GLY 52 N -0.58 0.10 0.34 6.99 0.00 0.34 -0.98 105.19 111.39 2ww3 n GLY 52 Ca -0.14 0.43 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 2ww3 n GLY 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ww3 h MET 53 N 2.93 0.93 -5.13 1.61 4.05 -1.49 -3.38 114.93 114.44 2ww3 h MET 53 Ca -0.42 -0.09 -0.64 0.00 -0.28 0.00 0.00 59.70 58.27 2ww3 h MET 53 Cb 1.32 -0.19 -0.33 0.00 -0.80 0.00 0.00 31.60 31.60 2ww3 h MET 53 CO 0.67 0.66 -0.86 -0.80 0.23 0.00 0.00 176.91 176.81 2ww3 s ASN 54 N -6.43 2.80 0.12 1.39 0.01 -0.92 -4.92 114.94 106.98 2ww3 s ASN 54 Ca -0.11 -0.51 0.06 0.00 -0.71 0.00 0.00 52.86 51.60 2ww3 s ASN 54 Cb 0.17 -1.28 -0.04 0.00 0.41 0.00 0.00 41.25 40.51 2ww3 s ASN 54 CO 0.78 0.12 -0.03 -0.36 -1.51 0.00 0.00 177.10 176.10 2ww3 s PHE 55 N 0.49 2.86 0.03 2.20 0.40 -1.15 -4.73 117.98 118.08 2ww3 s PHE 55 Ca -0.16 -0.10 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 2ww3 s PHE 55 Cb -0.17 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 2ww3 s PHE 55 CO 0.06 0.47 -0.17 -1.58 0.70 0.00 0.00 175.22 174.71 2ww3 s TRP 56 N -1.41 1.49 -0.10 0.36 0.52 -0.58 -0.98 118.94 118.24 2ww3 s TRP 56 Ca 0.25 -0.34 -0.11 0.00 0.02 0.00 0.00 56.10 55.92 2ww3 s TRP 56 Cb -0.11 -0.91 0.03 0.00 -1.15 0.00 0.00 33.47 31.33 2ww3 s TRP 56 CO 0.17 0.04 0.30 -0.08 0.02 0.00 0.00 176.95 177.40 2ww3 s THR 57 N -0.70 0.01 0.59 2.01 -1.32 -0.27 -1.42 115.64 114.54 2ww3 s THR 57 Ca 0.05 -0.09 -0.19 0.00 -1.21 0.00 0.00 61.69 60.25 2ww3 s THR 57 Cb -0.08 -0.46 -0.05 0.00 -1.51 0.00 0.00 72.50 70.41 2ww3 s THR 57 CO 0.01 -0.05 1.05 -0.81 -2.21 0.00 0.00 174.62 172.61 2ww3 n PRO 58 N 2.65 1.03 -4.01 7.08 -0.04 -1.26 -0.85 135.00 139.60 2ww3 n PRO 58 Ca -0.14 0.39 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 2ww3 n PRO 58 Cb 0.58 -2.24 -0.16 0.00 -0.04 0.00 0.00 33.50 31.63 2ww3 n PRO 58 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2ww3 s GLN 59 N -2.80 2.15 -0.15 0.54 0.74 0.01 -4.68 119.66 115.47 2ww3 s GLN 59 Ca 0.75 -0.86 0.17 0.00 0.05 0.00 0.00 55.36 55.47 2ww3 s GLN 59 Cb -0.42 -2.44 -0.24 0.00 1.10 0.00 0.00 33.01 31.01 2ww3 s GLN 59 CO 0.47 -0.40 0.24 0.25 -0.55 0.00 0.00 175.29 175.30 2ww3 n THR 60 N 4.67 1.43 -1.48 -0.34 -2.24 0.39 -1.12 114.28 115.59 2ww3 n THR 60 Ca -0.15 -0.84 -0.31 0.00 -2.27 0.00 0.00 64.05 60.48 2ww3 n THR 60 Cb 0.47 -0.61 0.06 0.00 -2.10 0.00 0.00 70.33 68.15 2ww3 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww3 s GLY 61 N -5.37 1.67 0.56 3.38 0.00 -0.01 -4.72 107.32 102.84 2ww3 s GLY 61 Ca -0.08 0.14 -0.19 0.00 0.00 0.00 0.00 44.72 44.59 2ww3 s GLY 61 CO 0.83 0.46 1.12 0.54 0.00 0.00 0.00 173.10 176.05 2ww3 s LYS 62 N -5.00 3.30 0.15 2.90 1.02 -1.26 -4.89 119.74 115.96 2ww3 s LYS 62 Ca 0.59 1.58 -0.33 0.00 0.02 0.00 0.00 55.97 57.82 2ww3 s LYS 62 Cb -0.15 -2.00 -0.16 0.00 -0.52 0.00 0.00 37.83 35.00 2ww3 s LYS 62 CO 0.55 -0.88 1.14 -0.12 -0.92 0.00 0.00 175.35 175.12 2ww3 n MET 63 N -1.43 1.01 0.00 1.68 0.00 -1.26 -1.47 117.12 115.66 2ww3 n MET 63 Ca 0.11 0.36 0.00 0.00 -0.00 0.00 0.00 57.70 58.17 2ww3 n MET 63 Cb 0.51 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 31.89 2ww3 n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ww3 n GLY 64 N 2.02 3.16 3.69 -5.12 0.00 -1.26 -5.03 105.19 102.64 2ww3 n GLY 64 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2ww3 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww3 s ASP 65 N -0.32 7.05 0.53 1.61 -1.08 -0.54 -4.90 116.67 119.03 2ww3 s ASP 65 Ca 0.00 1.82 0.28 0.00 -0.52 0.00 0.00 52.55 54.13 2ww3 s ASP 65 Cb 0.00 -2.56 1.42 0.00 -1.46 0.00 0.00 42.92 40.32 2ww3 s ASP 65 CO 0.00 -0.58 1.94 1.23 0.52 0.00 0.00 175.17 178.28 2ww3 h GLY 66 N 8.14 0.04 -7.04 2.66 0.00 -1.90 -3.11 103.07 101.87 2ww3 h GLY 66 Ca -0.34 -0.01 -0.74 0.00 0.00 0.00 0.00 47.33 46.24 2ww3 h GLY 66 CO 0.88 0.00 1.85 0.79 0.00 0.00 0.00 176.54 180.06 2ww3 n TRP 67 N -4.33 3.93 0.20 5.60 8.01 -1.26 -4.38 117.44 125.21 2ww3 n TRP 67 Ca 0.14 -3.04 0.09 0.00 -1.31 0.00 0.00 57.50 53.38 2ww3 n TRP 67 Cb 0.77 -2.14 0.31 0.00 -2.01 0.00 0.00 31.31 28.24 2ww3 n TRP 67 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.69 176.12 2ww3 h GLN 68 N 6.46 0.00 -3.22 -0.99 3.07 -1.92 -3.34 115.11 115.16 2ww3 h GLN 68 Ca 0.38 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.83 2ww3 h GLN 68 Cb 0.75 0.00 -0.35 0.00 0.08 0.00 0.00 27.48 27.96 2ww3 h GLN 68 CO 1.48 0.25 -0.65 -0.47 0.09 0.00 0.00 178.83 179.52 2ww3 s TYR 69 N -3.39 -0.11 -0.02 0.06 5.04 -1.26 -0.46 117.35 117.22 2ww3 s TYR 69 Ca 0.03 0.46 0.05 0.00 -2.44 0.00 0.00 57.07 55.16 2ww3 s TYR 69 Cb 0.09 -0.25 -0.01 0.00 0.35 0.00 0.00 41.96 42.14 2ww3 s TYR 69 CO 0.67 -0.21 -0.16 0.95 -1.34 0.00 0.00 175.55 175.46 2ww3 s THR 70 N 1.82 1.24 0.34 4.34 -4.23 -1.26 -4.77 115.64 113.12 2ww3 s THR 70 Ca -0.01 -0.66 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 2ww3 s THR 70 Cb -0.12 -1.04 0.31 0.00 1.34 0.00 0.00 72.50 72.99 2ww3 s THR 70 CO -0.05 0.35 1.88 0.22 -0.54 0.00 0.00 174.62 176.48 2ww3 h TYR 71 N 5.82 0.88 -0.00 3.99 5.03 -1.79 -2.36 116.97 128.54 2ww3 h TYR 71 Ca -0.35 0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.98 2ww3 h TYR 71 Cb 1.16 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 39.16 2ww3 h TYR 71 CO 0.40 0.37 -0.02 0.25 -1.32 0.00 0.00 178.16 177.84 2ww3 n THR 72 N -4.55 0.00 -2.38 1.81 -2.24 -1.26 -4.88 114.28 100.79 2ww3 n THR 72 Ca 0.16 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.52 2ww3 n THR 72 Cb 0.39 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 2ww3 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ww3 s ALA 73 N -2.33 3.43 -0.05 6.98 0.00 -0.89 -4.95 121.76 123.95 2ww3 s ALA 73 Ca 0.36 0.99 0.18 0.00 0.00 0.00 0.00 51.96 53.48 2ww3 s ALA 73 Cb 0.21 -3.38 0.35 0.00 0.00 0.00 0.00 23.12 20.30 2ww3 s ALA 73 CO 0.43 -0.31 1.57 -0.91 0.00 0.00 0.00 175.76 176.54 2ww3 h ASN 74 N 4.07 0.00 -4.51 0.00 2.35 -1.90 -3.48 115.58 112.11 2ww3 h ASN 74 Ca -0.47 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 54.97 2ww3 h ASN 74 Cb 1.21 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.35 2ww3 h ASN 74 CO 0.68 0.41 -0.75 -0.54 -1.65 0.00 0.00 177.43 175.59 2ww3 s LYS 75 N -3.21 0.58 -0.14 0.81 1.02 -1.26 -1.88 119.74 115.65 2ww3 s LYS 75 Ca 0.03 -0.66 -0.05 0.00 0.02 0.00 0.00 55.97 55.31 2ww3 s LYS 75 Cb 0.09 -0.44 -0.04 0.00 -0.52 0.00 0.00 37.83 36.92 2ww3 s LYS 75 CO 0.71 0.10 0.05 0.42 -0.92 0.00 0.00 175.35 175.71 2ww3 s ILE 76 N -1.05 4.69 -0.51 2.17 1.01 -0.67 -4.34 121.20 122.50 2ww3 s ILE 76 Ca -0.05 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2ww3 s ILE 76 Cb -0.08 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.36 2ww3 s ILE 76 CO 0.01 0.53 0.61 -2.11 0.00 0.00 0.00 174.94 173.98 2ww3 n ARG 77 N 2.88 -0.18 0.00 2.79 1.85 -0.27 -1.98 116.66 121.76 2ww3 n ARG 77 Ca -0.18 -0.72 0.00 0.00 -1.00 0.00 0.00 57.85 55.95 2ww3 n ARG 77 Cb 0.53 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.88 2ww3 n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ww3 n GLY 78 N 0.27 0.66 3.32 2.89 0.00 -1.23 -4.81 105.19 106.29 2ww3 n GLY 78 Ca 0.02 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2ww3 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww3 s PHE 79 N -2.00 2.90 -0.09 1.61 0.40 -0.20 -0.81 117.98 119.79 2ww3 s PHE 79 Ca 0.00 -0.89 0.03 0.00 -0.60 0.00 0.00 56.93 55.48 2ww3 s PHE 79 Cb 0.00 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.53 2ww3 s PHE 79 CO 0.00 -0.45 -0.19 0.21 0.70 0.00 0.00 175.22 175.49 2ww3 s LYS 80 N 1.07 2.51 0.02 0.44 2.20 -0.03 -1.82 119.74 124.14 2ww3 s LYS 80 Ca 0.00 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 2ww3 s LYS 80 Cb -0.15 -1.97 -0.06 0.00 -1.51 0.00 0.00 37.83 34.15 2ww3 s LYS 80 CO -0.01 0.09 1.40 -1.14 -0.36 0.00 0.00 175.35 175.33 2ww3 s GLN 81 N 0.54 4.29 0.05 4.03 0.74 -0.47 -1.12 119.66 127.73 2ww3 s GLN 81 Ca -0.16 1.99 0.02 0.00 0.05 0.00 0.00 55.36 57.27 2ww3 s GLN 81 Cb -0.17 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 2ww3 s GLN 81 CO 0.06 -0.55 -0.08 -0.08 -0.55 0.00 0.00 175.29 174.09 2ww3 s THR 82 N 2.18 0.54 0.00 -0.34 -1.32 -0.15 -3.43 115.64 113.12 2ww3 s THR 82 Ca 0.64 -1.14 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2ww3 s THR 82 Cb -0.32 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 2ww3 s THR 82 CO 0.27 -0.42 0.77 1.41 -2.21 0.00 0.00 174.62 174.44 2ww3 n HIS 83 N 1.34 0.00 -1.88 9.09 8.25 -1.25 -2.94 115.22 127.85 2ww3 n HIS 83 Ca -0.22 -0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 2ww3 n HIS 83 Cb 0.55 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 2ww3 n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ww3 s GLN 84 N -0.58 4.18 0.26 -0.41 0.74 -1.26 -4.85 119.66 117.73 2ww3 s GLN 84 Ca 0.00 2.38 0.18 0.00 0.05 0.00 0.00 55.36 57.97 2ww3 s GLN 84 Cb 0.00 -3.71 0.08 0.00 1.10 0.00 0.00 33.01 30.48 2ww3 s GLN 84 CO 0.00 -0.79 1.31 -1.00 -0.55 0.00 0.00 175.29 174.26 2ww3 h PRO 85 N 8.78 0.00 -1.67 1.67 0.13 -1.90 -3.48 132.00 135.52 2ww3 h PRO 85 Ca -0.43 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.84 2ww3 h PRO 85 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2ww3 h PRO 85 CO 0.94 0.29 0.64 -1.54 -0.23 0.00 0.00 178.00 178.10 2ww3 s SER 86 N -6.15 -0.28 0.53 1.44 1.04 -1.26 -4.56 113.70 104.47 2ww3 s SER 86 Ca 0.03 0.16 0.36 0.00 0.48 0.00 0.00 55.95 56.98 2ww3 s SER 86 Cb 0.07 0.26 1.80 0.00 0.10 0.00 0.00 66.02 68.25 2ww3 s SER 86 CO 0.75 -0.35 2.08 1.55 0.98 0.00 0.00 173.24 178.24 2ww3 h PRO 87 N 2.23 0.00 0.17 4.02 0.13 -1.81 0.23 132.00 136.97 2ww3 h PRO 87 Ca -0.16 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.71 2ww3 h PRO 87 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 2ww3 h PRO 87 CO 0.28 0.00 -1.20 -1.49 -0.23 0.00 0.00 178.00 175.36 2ww3 h TRP 88 N 0.00 0.66 0.00 1.56 4.06 -1.95 -3.32 115.95 116.96 2ww3 h TRP 88 Ca 0.00 -0.48 -0.20 0.00 2.06 0.00 0.00 58.89 60.27 2ww3 h TRP 88 Cb 0.15 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.26 2ww3 h TRP 88 CO 0.00 1.46 -0.96 0.82 -3.56 0.00 0.00 178.44 176.21 2ww3 h ILE 89 N -0.18 1.56 -1.44 1.49 1.08 -1.87 -3.49 117.51 114.66 2ww3 h ILE 89 Ca -0.22 -3.23 0.00 0.00 -0.39 0.00 0.00 64.86 61.02 2ww3 h ILE 89 Cb 1.85 2.77 0.00 0.00 -3.07 0.00 0.00 36.82 38.37 2ww3 h ILE 89 CO 0.17 0.89 0.00 -3.20 -0.69 0.00 0.00 178.15 175.32 2ww3 n ASN 90 N -3.32 -4.31 -4.63 1.72 2.85 0.04 -4.84 115.26 102.77 2ww3 n ASN 90 Ca -0.00 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.21 2ww3 n ASN 90 Cb 0.91 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.84 2ww3 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww3 s ASP 91 N -4.00 4.04 0.01 1.20 -1.08 -1.26 -4.38 116.67 111.20 2ww3 s ASP 91 Ca 0.00 -1.17 -0.28 0.00 -0.52 0.00 0.00 52.55 50.58 2ww3 s ASP 91 Cb 0.00 -0.44 0.09 0.00 -1.46 0.00 0.00 42.92 41.11 2ww3 s ASP 91 CO 0.00 -0.36 0.78 -0.72 0.52 0.00 0.00 175.17 175.38 2ww3 s TYR 92 N -2.62 -0.47 -0.93 -5.34 1.13 -1.26 -2.48 117.35 105.38 2ww3 s TYR 92 Ca 0.36 0.50 -0.01 0.00 -1.41 0.00 0.00 57.07 56.51 2ww3 s TYR 92 Cb 0.04 0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 41.40 2ww3 s TYR 92 CO 0.19 -0.62 0.79 0.41 -2.51 0.00 0.00 175.55 173.81 2ww3 n GLY 93 N 0.11 -0.32 3.09 5.49 0.00 -1.24 -3.77 105.19 108.55 2ww3 n GLY 93 Ca -0.14 0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2ww3 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww3 s GLN 94 N -4.87 1.98 0.27 1.61 -2.07 -1.26 -4.45 119.66 110.87 2ww3 s GLN 94 Ca 0.08 -0.56 -0.15 0.00 -1.82 0.00 0.00 55.36 52.91 2ww3 s GLN 94 Cb -0.01 -1.62 0.01 0.00 -1.09 0.00 0.00 33.01 30.30 2ww3 s GLN 94 CO 0.59 0.12 0.58 -0.59 -1.32 0.00 0.00 175.29 174.66 2ww3 s PHE 95 N 0.42 0.21 0.17 9.60 -0.71 -1.22 -4.57 117.98 121.87 2ww3 s PHE 95 Ca -0.12 -0.61 -0.12 0.00 -1.04 0.00 0.00 56.93 55.03 2ww3 s PHE 95 Cb -0.15 0.39 0.01 0.00 -1.21 0.00 0.00 43.02 42.05 2ww3 s PHE 95 CO 0.04 -1.12 0.36 -1.54 -1.34 0.00 0.00 175.22 171.63 2ww3 s SER 96 N -3.00 -0.07 0.01 1.98 1.04 -0.20 -1.36 113.70 112.09 2ww3 s SER 96 Ca 0.19 -0.70 0.02 0.00 0.48 0.00 0.00 55.95 55.95 2ww3 s SER 96 Cb -0.03 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 2ww3 s SER 96 CO 0.09 -0.93 -0.08 -0.51 0.98 0.00 0.00 173.24 172.79 2ww3 s ILE 97 N -3.92 0.61 -0.12 -1.02 2.07 -0.76 -0.14 121.20 117.92 2ww3 s ILE 97 Ca 0.13 -0.50 -0.05 0.00 -1.41 0.00 0.00 60.65 58.83 2ww3 s ILE 97 Cb 0.02 -0.54 0.06 0.00 0.13 0.00 0.00 42.46 42.13 2ww3 s ILE 97 CO -0.02 0.05 0.26 -0.32 -1.91 0.00 0.00 174.94 173.00 2ww3 s MET 98 N -0.49 0.15 0.15 3.50 -2.45 0.16 -1.03 119.30 119.28 2ww3 s MET 98 Ca 0.01 0.72 -0.22 0.00 -1.25 0.00 0.00 55.69 54.94 2ww3 s MET 98 Cb -0.04 -0.05 -0.08 0.00 1.25 0.00 0.00 34.83 35.91 2ww3 s MET 98 CO -0.00 -0.27 0.70 -1.25 1.05 0.00 0.00 175.02 175.25 2ww3 s PRO 99 N 2.30 4.38 0.25 4.11 0.04 -1.26 0.14 135.00 144.95 2ww3 s PRO 99 Ca 0.00 0.96 -0.05 0.00 0.04 0.00 0.00 61.00 61.95 2ww3 s PRO 99 Cb -0.12 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2ww3 s PRO 99 CO -0.08 0.55 0.32 0.96 0.04 0.00 0.00 177.00 178.79 2ww3 s ILE 100 N -1.23 0.00 0.13 0.56 -4.36 -0.34 -4.95 121.20 111.02 2ww3 s ILE 100 Ca 0.35 -1.72 -0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2ww3 s ILE 100 Cb -0.21 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 2ww3 s ILE 100 CO 0.23 0.00 0.03 0.68 0.24 0.00 0.00 174.94 176.12 2ww3 s VAL 101 N -3.91 0.25 0.00 8.37 -7.23 -1.26 -1.38 120.40 115.24 2ww3 s VAL 101 Ca 0.32 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2ww3 s VAL 101 Cb 0.03 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2ww3 s VAL 101 CO 0.13 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 2ww3 n GLY 102 N -0.11 1.08 3.61 2.32 0.00 -0.11 -4.91 105.19 107.07 2ww3 n GLY 102 Ca -0.07 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 2ww3 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 103 N 0.00 2.61 -0.60 1.61 -1.52 -1.26 -4.75 119.66 115.75 2ww3 s GLN 103 Ca 0.00 -0.69 -0.27 0.00 -1.95 0.00 0.00 55.36 52.45 2ww3 s GLN 103 Cb 0.00 -2.54 0.01 0.00 -0.22 0.00 0.00 33.01 30.26 2ww3 s GLN 103 CO 0.00 0.61 1.52 -1.25 -0.25 0.00 0.00 175.29 175.92 2ww3 s PRO 104 N -1.41 3.12 -0.11 2.91 0.04 -1.26 -4.97 135.00 133.32 2ww3 s PRO 104 Ca 0.17 0.40 0.03 0.00 0.04 0.00 0.00 61.00 61.64 2ww3 s PRO 104 Cb -0.11 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 30.22 2ww3 s PRO 104 CO 0.08 -2.17 -0.21 0.14 0.04 0.00 0.00 177.00 174.88 2ww3 s VAL 105 N 6.77 2.36 -0.04 -0.36 -7.23 -1.26 -4.99 120.40 115.65 2ww3 s VAL 105 Ca 0.54 -0.92 0.06 0.00 -1.81 0.00 0.00 61.98 59.85 2ww3 s VAL 105 Cb -0.11 -1.93 -0.24 0.00 0.56 0.00 0.00 36.38 34.66 2ww3 s VAL 105 CO 0.22 0.55 0.69 0.15 -0.31 0.00 0.00 175.10 176.41 2ww3 h PHE 106 N 6.65 0.17 -1.74 2.82 3.57 -1.93 -3.43 116.94 123.06 2ww3 h PHE 106 Ca -0.22 -0.12 -0.68 0.00 3.53 0.00 0.00 57.97 60.47 2ww3 h PHE 106 Cb 1.23 -0.01 0.03 0.00 2.79 0.00 0.00 35.95 39.99 2ww3 h PHE 106 CO 0.48 1.22 0.78 -3.47 -2.23 0.00 0.00 178.31 175.08 2ww3 n ASP 107 N -3.23 2.39 0.26 0.41 -0.08 -1.26 -4.79 116.55 110.25 2ww3 n ASP 107 Ca -0.18 1.07 0.18 0.00 -1.51 0.00 0.00 54.79 54.35 2ww3 n ASP 107 Cb 1.04 -1.22 0.91 0.00 2.34 0.00 0.00 41.12 44.19 2ww3 n ASP 107 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2ww3 h GLU 108 N 6.54 0.00 0.05 -0.67 4.11 -1.94 0.12 114.58 122.79 2ww3 h GLU 108 Ca -0.47 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 58.62 2ww3 h GLU 108 Cb 1.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 2ww3 h GLU 108 CO 0.89 0.00 -1.92 0.39 0.07 0.00 0.00 179.01 178.45 2ww3 n GLU 109 N -2.76 0.66 0.24 1.06 1.02 -1.26 -4.04 120.64 115.56 2ww3 n GLU 109 Ca -0.02 0.35 0.12 0.00 -0.02 0.00 0.00 57.16 57.59 2ww3 n GLU 109 Cb 0.10 -1.66 0.59 0.00 -0.02 0.00 0.00 31.44 30.44 2ww3 n GLU 109 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ww3 h LYS 110 N -0.43 0.00 -0.00 3.49 6.56 -1.76 -2.32 116.57 122.10 2ww3 h LYS 110 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2ww3 h LYS 110 Cb 1.72 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.38 2ww3 h LYS 110 CO -0.11 0.17 -0.30 2.89 -2.06 0.00 0.00 179.45 180.05 2ww3 n ARG 111 N -3.45 0.36 -1.11 3.15 1.85 0.34 -4.97 116.66 112.84 2ww3 n ARG 111 Ca -0.01 -0.18 -0.30 0.00 -1.00 0.00 0.00 57.85 56.36 2ww3 n ARG 111 Cb 0.35 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.40 2ww3 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ww3 s ALA 112 N -2.76 1.50 -0.09 2.89 0.00 -0.87 -4.92 121.76 117.51 2ww3 s ALA 112 Ca 0.19 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 2ww3 s ALA 112 Cb 0.19 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 20.11 2ww3 s ALA 112 CO 0.59 -2.42 0.20 0.45 0.00 0.00 0.00 175.76 174.58 2ww3 s SER 113 N -3.27 -0.20 0.50 0.00 0.15 -0.84 -4.93 113.70 105.11 2ww3 s SER 113 Ca 0.64 0.42 -0.20 0.00 0.70 0.00 0.00 55.95 57.51 2ww3 s SER 113 Cb -0.19 0.32 -0.10 0.00 -1.71 0.00 0.00 66.02 64.34 2ww3 s SER 113 CO 0.57 -0.15 0.66 0.79 1.20 0.00 0.00 173.24 176.31 2ww3 n TRP 114 N 4.12 -0.16 -3.99 3.44 7.02 -1.26 -1.67 117.44 124.93 2ww3 n TRP 114 Ca -0.25 0.51 -0.09 0.00 -1.02 0.00 0.00 57.50 56.65 2ww3 n TRP 114 Cb 0.53 -2.03 -0.05 0.00 -2.42 0.00 0.00 31.31 27.34 2ww3 n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2ww3 s PHE 115 N -1.55 0.34 0.13 -5.99 -0.71 -0.79 -1.25 117.98 108.17 2ww3 s PHE 115 Ca 0.67 -0.71 0.05 0.00 -1.04 0.00 0.00 56.93 55.90 2ww3 s PHE 115 Cb -0.51 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 2ww3 s PHE 115 CO 0.55 -1.01 -0.12 0.00 -1.34 0.00 0.00 175.22 173.31 2ww3 s ALA 116 N -4.00 1.43 0.08 1.99 0.00 -1.26 -4.79 121.76 115.20 2ww3 s ALA 116 Ca 0.22 -1.37 0.26 0.00 0.00 0.00 0.00 51.96 51.07 2ww3 s ALA 116 Cb -0.01 -0.01 0.95 0.00 0.00 0.00 0.00 23.12 24.06 2ww3 s ALA 116 CO 0.09 -0.01 1.83 0.45 0.00 0.00 0.00 175.76 178.13 2ww3 h HIS 117 N 3.18 0.00 0.00 0.00 3.86 -1.95 -0.83 115.15 119.41 2ww3 h HIS 117 Ca -0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2ww3 h HIS 117 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2ww3 h HIS 117 CO 0.65 0.17 0.00 1.63 0.86 0.00 0.00 177.93 181.24 2ww3 n LYS 118 N -3.29 0.22 -0.54 2.45 5.02 -1.26 -1.42 118.16 119.33 2ww3 n LYS 118 Ca 0.01 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.45 2ww3 n LYS 118 Cb 0.42 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.22 2ww3 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww3 n GLY 119 N 0.81 3.56 3.12 0.72 0.00 -0.32 -4.97 105.19 108.11 2ww3 n GLY 119 Ca 0.09 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 2ww3 n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww3 s GLU 120 N -2.55 1.39 -0.22 1.61 2.12 -0.51 -1.43 118.70 119.12 2ww3 s GLU 120 Ca 0.44 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 55.24 2ww3 s GLU 120 Cb 0.34 -1.29 0.05 0.00 0.26 0.00 0.00 34.13 33.48 2ww3 s GLU 120 CO 0.13 0.29 -0.12 0.08 -0.54 0.00 0.00 175.26 175.10 2ww3 s VAL 121 N -0.20 1.88 -0.22 3.70 1.01 0.18 -4.95 120.40 121.80 2ww3 s VAL 121 Ca 0.02 -1.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 2ww3 s VAL 121 Cb -0.08 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 2ww3 s VAL 121 CO 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 175.10 175.23 2ww3 s ALA 122 N 1.28 2.89 0.25 5.51 0.00 -1.26 -1.08 121.76 129.36 2ww3 s ALA 122 Ca -0.03 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2ww3 s ALA 122 Cb -0.17 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 2ww3 s ALA 122 CO -0.08 -0.39 0.03 0.95 0.00 0.00 0.00 175.76 176.27 2ww3 s THR 123 N 1.41 0.97 0.44 0.00 -4.23 -0.21 -4.51 115.64 109.51 2ww3 s THR 123 Ca 0.05 -2.02 0.19 0.00 -1.18 0.00 0.00 61.69 58.73 2ww3 s THR 123 Cb -0.14 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.42 2ww3 s THR 123 CO -0.01 -0.20 2.02 -0.65 -0.54 0.00 0.00 174.62 175.24 2ww3 h PRO 124 N 2.38 0.00 -0.00 3.99 0.11 -1.88 -3.21 132.00 133.39 2ww3 h PRO 124 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2ww3 h PRO 124 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ww3 h PRO 124 CO 0.65 0.16 -0.52 2.48 -0.21 0.00 0.00 178.00 180.56 2ww3 n TYR 125 N -4.09 0.00 -3.64 0.65 4.11 -1.26 -1.54 117.16 111.39 2ww3 n TYR 125 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.77 2ww3 n TYR 125 Cb 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.51 2ww3 n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2ww3 s TYR 126 N -2.13 -0.92 -0.04 -3.48 5.04 -1.21 -4.27 117.35 110.33 2ww3 s TYR 126 Ca 0.09 2.00 0.02 0.00 -2.44 0.00 0.00 57.07 56.74 2ww3 s TYR 126 Cb 0.12 0.45 0.01 0.00 0.35 0.00 0.00 41.96 42.89 2ww3 s TYR 126 CO 0.50 -0.45 -0.08 -0.47 -1.34 0.00 0.00 175.55 173.71 2ww3 s TYR 127 N 1.04 1.02 0.03 4.97 5.04 -0.82 -1.04 117.35 127.57 2ww3 s TYR 127 Ca -0.05 -0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.32 2ww3 s TYR 127 Cb -0.05 -0.78 -0.02 0.00 0.35 0.00 0.00 41.96 41.46 2ww3 s TYR 127 CO -0.10 -0.18 -0.13 0.21 -1.34 0.00 0.00 175.55 174.01 2ww3 s LYS 128 N 0.55 0.93 -0.06 4.97 2.20 -0.24 -1.24 119.74 126.85 2ww3 s LYS 128 Ca -0.09 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.65 2ww3 s LYS 128 Cb -0.12 -0.92 0.04 0.00 -1.51 0.00 0.00 37.83 35.31 2ww3 s LYS 128 CO 0.01 0.23 0.45 0.54 -0.36 0.00 0.00 175.35 176.22 2ww3 s VAL 129 N -0.72 0.03 -0.27 4.02 0.11 -0.44 -0.64 120.40 122.48 2ww3 s VAL 129 Ca 0.02 -0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 58.73 2ww3 s VAL 129 Cb -0.07 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 2ww3 s VAL 129 CO 0.01 -0.13 0.18 -0.47 -3.33 0.00 0.00 175.10 171.36 2ww3 s TYR 130 N -0.90 3.24 -0.76 1.54 5.04 -0.51 -1.63 117.35 123.38 2ww3 s TYR 130 Ca -0.10 0.15 -0.21 0.00 -2.44 0.00 0.00 57.07 54.48 2ww3 s TYR 130 Cb -0.03 -2.36 0.10 0.00 0.35 0.00 0.00 41.96 40.02 2ww3 s TYR 130 CO 0.05 -0.11 0.99 -0.51 -1.34 0.00 0.00 175.55 174.63 2ww3 s LEU 131 N 1.60 4.80 0.40 6.97 1.43 0.45 -4.59 118.68 129.75 2ww3 s LEU 131 Ca 0.07 -1.47 0.07 0.00 -1.03 0.00 0.00 54.13 51.77 2ww3 s LEU 131 Cb -0.15 -2.39 0.84 0.00 0.03 0.00 0.00 46.19 44.51 2ww3 s LEU 131 CO 0.09 -1.25 2.04 0.00 0.23 0.00 0.00 176.35 177.47 2ww3 h ALA 132 N 9.22 1.67 0.00 4.21 0.00 -1.46 -1.85 119.26 131.04 2ww3 h ALA 132 Ca -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ww3 h ALA 132 Cb 1.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2ww3 h ALA 132 CO 1.14 0.29 -0.09 0.39 0.00 0.00 0.00 179.25 180.97 2ww3 n GLU 133 N -4.45 0.05 0.00 0.00 1.02 -1.26 -3.32 120.64 112.68 2ww3 n GLU 133 Ca 0.03 0.03 0.04 0.00 -0.02 0.00 0.00 57.16 57.24 2ww3 n GLU 133 Cb 0.09 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 2ww3 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ww3 n HIS 134 N -1.63 0.00 -3.93 -0.32 8.25 -0.89 -4.95 115.22 111.75 2ww3 n HIS 134 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 2ww3 n HIS 134 Cb 0.36 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 2ww3 n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ww3 n ASP 135 N -0.01 -2.05 -4.09 0.41 2.03 -0.75 -4.67 116.55 107.41 2ww3 n ASP 135 Ca 0.04 -1.07 -0.23 0.00 0.52 0.00 0.00 54.79 54.04 2ww3 n ASP 135 Cb 0.17 -2.83 -0.15 0.00 -0.72 0.00 0.00 41.12 37.58 2ww3 n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ww3 s ILE 136 N -3.81 1.14 -0.19 5.18 1.01 -1.12 -3.42 121.20 119.98 2ww3 s ILE 136 Ca 0.20 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 2ww3 s ILE 136 Cb -0.08 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2ww3 s ILE 136 CO 0.90 0.33 0.07 -0.69 0.00 0.00 0.00 174.94 175.55 2ww3 s VAL 137 N -0.11 4.80 -0.14 2.92 1.01 -0.26 -0.41 120.40 128.21 2ww3 s VAL 137 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2ww3 s VAL 137 Cb -0.08 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2ww3 s VAL 137 CO 0.00 0.44 0.00 -0.89 0.00 0.00 0.00 175.10 174.66 2ww3 s THR 138 N 0.53 4.26 0.11 3.92 2.01 -0.64 0.40 115.64 126.22 2ww3 s THR 138 Ca 0.04 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 61.87 2ww3 s THR 138 Cb -0.13 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2ww3 s THR 138 CO 0.01 0.52 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.68 2ww3 s GLU 139 N -0.05 1.06 -0.10 4.92 2.02 -0.25 -1.33 118.70 124.97 2ww3 s GLU 139 Ca 0.03 -1.17 -0.12 0.00 0.02 0.00 0.00 54.97 53.73 2ww3 s GLU 139 Cb -0.13 -1.16 0.03 0.00 0.10 0.00 0.00 34.13 32.98 2ww3 s GLU 139 CO 0.02 0.25 0.32 0.00 0.02 0.00 0.00 175.26 175.87 2ww3 s MET 140 N -2.17 0.44 -0.10 1.61 0.23 -0.38 -0.88 119.30 118.05 2ww3 s MET 140 Ca 0.07 0.31 -0.01 0.00 -1.03 0.00 0.00 55.69 55.02 2ww3 s MET 140 Cb -0.08 0.21 0.03 0.00 -1.53 0.00 0.00 34.83 33.46 2ww3 s MET 140 CO 0.04 -0.08 -0.00 0.95 -2.03 0.00 0.00 175.02 173.90 2ww3 s THR 141 N -0.16 0.48 0.39 3.16 -4.23 -0.33 -1.95 115.64 113.00 2ww3 s THR 141 Ca -0.03 -0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.40 2ww3 s THR 141 Cb -0.03 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 2ww3 s THR 141 CO 0.01 0.19 0.65 -2.16 -0.54 0.00 0.00 174.62 172.77 2ww3 s PRO 142 N 1.92 3.54 0.00 3.99 0.04 -1.26 -0.92 135.00 142.30 2ww3 s PRO 142 Ca 0.04 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.03 2ww3 s PRO 142 Cb -0.13 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2ww3 s PRO 142 CO -0.06 0.01 0.00 0.25 0.04 0.00 0.00 177.00 177.24 2ww3 n THR 143 N -1.84 0.00 -0.30 1.26 -2.24 0.15 -4.72 114.28 106.59 2ww3 n THR 143 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2ww3 n THR 143 Cb 0.55 -0.36 0.20 0.00 -2.10 0.00 0.00 70.33 68.62 2ww3 n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ww3 h GLU 144 N 0.00 1.10 0.00 -0.78 5.08 -1.94 -3.32 114.58 114.71 2ww3 h GLU 144 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2ww3 h GLU 144 Cb 0.00 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.00 2ww3 h GLU 144 CO 0.00 0.73 0.00 0.54 -1.00 0.00 0.00 179.01 179.28 2ww3 n ARG 145 N -4.43 2.52 -4.42 2.33 1.74 -1.26 -1.97 116.66 111.16 2ww3 n ARG 145 Ca 0.11 -0.11 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2ww3 n ARG 145 Cb 0.09 -0.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.94 2ww3 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ww3 s ALA 146 N -0.39 2.38 -0.04 7.54 0.00 -1.25 -3.36 121.76 126.65 2ww3 s ALA 146 Ca 0.00 -1.63 -0.25 0.00 0.00 0.00 0.00 51.96 50.08 2ww3 s ALA 146 Cb 0.00 0.90 0.05 0.00 0.00 0.00 0.00 23.12 24.07 2ww3 s ALA 146 CO 0.00 -0.40 0.55 0.54 0.00 0.00 0.00 175.76 176.45 2ww3 s VAL 147 N -3.40 0.02 -0.12 0.00 0.11 0.92 0.31 120.40 118.23 2ww3 s VAL 147 Ca 0.32 -0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2ww3 s VAL 147 Cb 0.05 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2ww3 s VAL 147 CO 0.16 -0.09 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.48 2ww3 s LEU 148 N -1.25 2.70 -0.07 2.54 2.96 -0.10 -1.12 118.68 124.34 2ww3 s LEU 148 Ca -0.12 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2ww3 s LEU 148 Cb -0.02 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2ww3 s LEU 148 CO 0.08 0.18 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.85 2ww3 s PHE 149 N 0.27 2.92 -0.12 5.38 0.40 -0.11 -1.19 117.98 125.53 2ww3 s PHE 149 Ca -0.10 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 2ww3 s PHE 149 Cb -0.16 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.68 2ww3 s PHE 149 CO 0.05 0.32 -0.18 0.50 0.70 0.00 0.00 175.22 176.61 2ww3 s ARG 150 N -0.81 2.56 -0.19 0.44 3.52 -0.06 -0.45 118.95 123.96 2ww3 s ARG 150 Ca 0.12 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 2ww3 s ARG 150 Cb -0.11 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.15 2ww3 s ARG 150 CO 0.01 -0.03 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.40 2ww3 s PHE 151 N 0.87 3.02 -0.39 5.12 0.40 0.20 -1.09 117.98 126.10 2ww3 s PHE 151 Ca -0.08 -0.48 -0.14 0.00 -0.60 0.00 0.00 56.93 55.64 2ww3 s PHE 151 Cb -0.15 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.35 2ww3 s PHE 151 CO -0.01 -0.22 0.26 0.99 0.70 0.00 0.00 175.22 176.94 2ww3 s THR 152 N 0.87 5.04 0.22 0.64 2.01 0.16 -1.35 115.64 123.24 2ww3 s THR 152 Ca 0.00 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.32 2ww3 s THR 152 Cb -0.14 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2ww3 s THR 152 CO 0.02 -0.26 0.40 -0.36 -0.69 0.00 0.00 174.62 173.73 2ww3 s PHE 153 N 1.64 3.48 0.50 4.92 0.08 -0.44 -1.10 117.98 127.06 2ww3 s PHE 153 Ca 0.04 0.29 -0.06 0.00 0.12 0.00 0.00 56.93 57.32 2ww3 s PHE 153 Cb -0.19 -1.82 0.11 0.00 -0.57 0.00 0.00 43.02 40.56 2ww3 s PHE 153 CO 0.09 0.36 0.68 -0.35 -0.10 0.00 0.00 175.22 175.91 2ww3 n PRO 154 N -0.87 -0.38 -2.42 0.24 -0.04 -1.22 -1.34 135.00 128.97 2ww3 n PRO 154 Ca -0.05 -1.31 -0.42 0.00 -0.04 0.00 0.00 63.50 61.68 2ww3 n PRO 154 Cb 0.54 -0.63 -0.03 0.00 -0.04 0.00 0.00 33.50 33.35 2ww3 n PRO 154 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ww3 s GLU 155 N -4.38 4.41 -0.28 0.54 2.12 -1.25 -4.27 118.70 115.59 2ww3 s GLU 155 Ca 0.41 1.76 -0.25 0.00 0.36 0.00 0.00 54.97 57.24 2ww3 s GLU 155 Cb -0.01 -3.40 0.15 0.00 0.26 0.00 0.00 34.13 31.13 2ww3 s GLU 155 CO 0.28 -0.31 1.22 1.21 -0.54 0.00 0.00 175.26 177.12 2ww3 s ASN 156 N 1.19 -0.26 0.41 -1.70 3.84 -0.60 -4.93 114.94 112.89 2ww3 s ASN 156 Ca 0.58 0.48 0.26 0.00 0.21 0.00 0.00 52.86 54.40 2ww3 s ASN 156 Cb -0.29 0.48 0.76 0.00 -0.55 0.00 0.00 41.25 41.66 2ww3 s ASN 156 CO 0.28 -0.10 1.75 0.44 -2.79 0.00 0.00 177.10 176.68 2ww3 h ASP 157 N 3.56 0.00 -2.60 -4.21 3.32 -1.88 -1.94 116.42 112.67 2ww3 h ASP 157 Ca -0.26 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.19 2ww3 h ASP 157 Cb 1.18 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.34 2ww3 h ASP 157 CO 0.15 0.00 -0.85 -1.00 -1.72 0.00 0.00 179.24 175.82 2ww3 s HIS 158 N -3.32 1.82 -0.07 4.55 3.76 -1.26 -4.04 115.29 116.74 2ww3 s HIS 158 Ca 0.06 -2.62 -0.03 0.00 -0.15 0.00 0.00 55.06 52.33 2ww3 s HIS 158 Cb 0.08 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.27 2ww3 s HIS 158 CO 0.60 -0.74 0.07 -1.12 -0.85 0.00 0.00 174.74 172.69 2ww3 s SER 159 N -0.36 5.69 0.07 1.40 0.01 -0.56 -0.93 113.70 119.02 2ww3 s SER 159 Ca 0.30 0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.80 2ww3 s SER 159 Cb 0.00 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 2ww3 s SER 159 CO -0.18 0.35 -0.05 -0.31 0.41 0.00 0.00 173.24 173.46 2ww3 s TYR 160 N -1.03 0.69 -0.11 2.43 1.51 -0.48 -1.12 117.35 119.25 2ww3 s TYR 160 Ca 0.17 -0.93 0.03 0.00 -1.01 0.00 0.00 57.07 55.33 2ww3 s TYR 160 Cb -0.12 -0.44 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 2ww3 s TYR 160 CO 0.07 -0.24 -0.22 0.08 -1.11 0.00 0.00 175.55 174.13 2ww3 s VAL 161 N -3.49 1.95 -0.12 0.71 1.01 0.87 -1.20 120.40 120.13 2ww3 s VAL 161 Ca 0.07 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 2ww3 s VAL 161 Cb 0.05 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2ww3 s VAL 161 CO -0.06 0.53 0.27 -0.69 0.00 0.00 0.00 175.10 175.15 2ww3 s VAL 162 N 0.59 5.30 -0.11 2.92 1.01 0.37 -1.94 120.40 128.54 2ww3 s VAL 162 Ca -0.13 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.36 2ww3 s VAL 162 Cb -0.17 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2ww3 s VAL 162 CO 0.04 0.49 -0.15 -0.69 0.00 0.00 0.00 175.10 174.79 2ww3 s VAL 163 N -0.24 2.88 -0.25 2.92 1.01 0.32 0.36 120.40 127.40 2ww3 s VAL 163 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2ww3 s VAL 163 Cb -0.13 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.14 2ww3 s VAL 163 CO 0.06 0.54 -0.01 -0.62 0.00 0.00 0.00 175.10 175.07 2ww3 s ASP 164 N 0.19 3.85 0.00 3.32 -1.08 0.81 -1.50 116.67 122.26 2ww3 s ASP 164 Ca -0.09 -1.31 0.26 0.00 -0.52 0.00 0.00 52.55 50.89 2ww3 s ASP 164 Cb -0.15 -1.09 1.44 0.00 -1.46 0.00 0.00 42.92 41.65 2ww3 s ASP 164 CO 0.05 -0.29 1.94 0.00 0.52 0.00 0.00 175.17 177.39 2ww3 n ALA 165 N 4.71 2.64 -0.73 3.66 0.00 -0.85 -1.04 120.51 128.89 2ww3 n ALA 165 Ca -0.08 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.24 2ww3 n ALA 165 Cb 0.44 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 2ww3 n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ww3 n PHE 166 N -0.73 -2.78 -3.03 0.00 3.01 -1.26 -4.56 117.46 108.11 2ww3 n PHE 166 Ca 0.19 0.88 0.00 0.00 1.01 0.00 0.00 57.45 59.53 2ww3 n PHE 166 Cb 0.13 -1.62 0.00 0.00 -0.01 0.00 0.00 39.48 37.98 2ww3 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww3 n ASP 167 N -2.59 0.65 -0.62 4.37 5.75 -1.26 -3.72 116.55 119.13 2ww3 n ASP 167 Ca 0.00 -0.71 -0.07 0.00 -0.01 0.00 0.00 54.79 54.01 2ww3 n ASP 167 Cb 0.32 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 2ww3 n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ww3 n LYS 168 N -0.47 -0.53 0.00 0.11 4.76 -0.88 -3.44 118.16 117.70 2ww3 n LYS 168 Ca 0.00 0.67 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 2ww3 n LYS 168 Cb 0.00 -4.51 0.00 0.00 -1.84 0.00 0.00 35.03 28.68 2ww3 n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ww3 n GLY 169 N -1.86 0.59 2.30 0.72 0.00 0.97 -4.69 105.19 103.22 2ww3 n GLY 169 Ca -0.08 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 2ww3 n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww3 n SER 170 N 0.00 -0.63 -3.81 1.61 3.41 0.22 -3.47 113.62 110.95 2ww3 n SER 170 Ca 0.00 -2.49 -0.12 0.00 -0.26 0.00 0.00 58.87 55.99 2ww3 n SER 170 Cb 0.00 1.35 -0.12 0.00 -0.26 0.00 0.00 64.21 65.19 2ww3 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2ww3 s TYR 171 N -3.11 -0.18 -0.08 7.33 5.04 -0.77 -2.30 117.35 123.28 2ww3 s TYR 171 Ca 0.26 0.44 -0.08 0.00 -2.44 0.00 0.00 57.07 55.25 2ww3 s TYR 171 Cb 0.01 0.06 0.02 0.00 0.35 0.00 0.00 41.96 42.40 2ww3 s TYR 171 CO 0.19 -0.14 0.23 -1.50 -1.34 0.00 0.00 175.55 172.99 2ww3 s ILE 172 N -0.13 0.00 -0.07 3.14 1.10 -0.83 -1.62 121.20 122.80 2ww3 s ILE 172 Ca -0.02 -0.03 -0.03 0.00 -0.51 0.00 0.00 60.65 60.06 2ww3 s ILE 172 Cb -0.02 -0.33 0.04 0.00 0.15 0.00 0.00 42.46 42.29 2ww3 s ILE 172 CO 0.01 -0.01 0.14 -0.75 -2.11 0.00 0.00 174.94 172.21 2ww3 s LYS 173 N 0.06 0.06 -0.13 3.50 2.20 0.64 -1.34 119.74 124.73 2ww3 s LYS 173 Ca -0.01 0.42 -0.17 0.00 -0.36 0.00 0.00 55.97 55.86 2ww3 s LYS 173 Cb -0.02 -0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 2ww3 s LYS 173 CO 0.00 -0.22 0.41 0.42 -0.36 0.00 0.00 175.35 175.61 2ww3 s ILE 174 N 1.55 5.22 -0.61 5.43 1.01 -0.17 -0.91 121.20 132.71 2ww3 s ILE 174 Ca -0.05 0.81 0.04 0.00 0.00 0.00 0.00 60.65 61.45 2ww3 s ILE 174 Cb -0.12 -3.75 0.15 0.00 0.01 0.00 0.00 42.46 38.75 2ww3 s ILE 174 CO -0.06 0.36 0.38 -0.63 0.00 0.00 0.00 174.94 174.99 2ww3 s ILE 175 N 0.49 2.78 0.53 2.92 1.01 0.87 -4.87 121.20 124.93 2ww3 s ILE 175 Ca 0.23 -3.78 0.20 0.00 0.00 0.00 0.00 60.65 57.30 2ww3 s ILE 175 Cb -0.14 -2.88 0.32 0.00 0.01 0.00 0.00 42.46 39.77 2ww3 s ILE 175 CO 0.08 -0.90 2.11 1.55 0.00 0.00 0.00 174.94 177.78 2ww3 h PRO 176 N 5.98 0.00 0.00 2.79 0.13 -1.96 -1.77 132.00 137.17 2ww3 h PRO 176 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2ww3 h PRO 176 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2ww3 h PRO 176 CO 0.71 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 2ww3 n GLU 177 N -4.42 0.13 -0.04 0.86 0.00 -1.26 -2.24 120.64 113.68 2ww3 n GLU 177 Ca 0.01 0.07 0.04 0.00 0.00 0.00 0.00 57.16 57.28 2ww3 n GLU 177 Cb 0.26 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.26 2ww3 n GLU 177 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2ww3 n GLU 178 N -1.42 2.14 -4.08 3.44 1.02 -0.69 -4.99 120.64 116.06 2ww3 n GLU 178 Ca 0.08 -1.96 -0.28 0.00 -0.02 0.00 0.00 57.16 54.98 2ww3 n GLU 178 Cb 0.26 -1.21 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 2ww3 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ww3 n ASN 179 N -0.90 -0.16 -3.99 1.62 3.02 -0.95 -4.67 115.26 109.23 2ww3 n ASN 179 Ca 0.07 -1.09 -0.17 0.00 -0.03 0.00 0.00 54.58 53.37 2ww3 n ASN 179 Cb 0.43 -2.61 -0.14 0.00 -0.61 0.00 0.00 39.78 36.85 2ww3 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ww3 s LYS 180 N -6.82 0.53 -0.07 3.52 2.20 -1.03 0.07 119.74 118.15 2ww3 s LYS 180 Ca 0.06 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.44 2ww3 s LYS 180 Cb -0.03 -0.51 0.01 0.00 -1.51 0.00 0.00 37.83 35.79 2ww3 s LYS 180 CO 0.92 0.14 -0.16 0.42 -0.36 0.00 0.00 175.35 176.31 2ww3 s ILE 181 N -0.22 1.43 0.30 5.43 1.01 0.70 -0.09 121.20 129.77 2ww3 s ILE 181 Ca 0.02 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.08 2ww3 s ILE 181 Cb -0.03 -1.27 -0.06 0.00 0.01 0.00 0.00 42.46 41.11 2ww3 s ILE 181 CO -0.00 0.42 -0.08 0.27 0.00 0.00 0.00 174.94 175.55 2ww3 s ILE 182 N 0.46 1.90 -0.04 2.92 -4.36 -0.09 0.07 121.20 122.07 2ww3 s ILE 182 Ca -0.14 -2.17 -0.31 0.00 -0.26 0.00 0.00 60.65 57.77 2ww3 s ILE 182 Cb -0.16 -2.51 0.13 0.00 1.25 0.00 0.00 42.46 41.17 2ww3 s ILE 182 CO 0.05 -0.27 1.34 -0.83 0.24 0.00 0.00 174.94 175.47 2ww3 s GLY 183 N -3.51 -0.42 0.07 6.27 0.00 -0.40 -0.26 107.32 109.08 2ww3 s GLY 183 Ca 0.31 0.73 0.02 0.00 0.00 0.00 0.00 44.72 45.78 2ww3 s GLY 183 CO 0.14 0.61 -0.08 -2.52 0.00 0.00 0.00 173.10 171.25 2ww3 s TYR 184 N -2.26 0.82 0.07 1.90 -0.85 -0.64 -0.15 117.35 116.25 2ww3 s TYR 184 Ca 0.16 -0.69 0.09 0.00 -0.52 0.00 0.00 57.07 56.10 2ww3 s TYR 184 Cb 0.05 -0.48 -0.03 0.00 0.38 0.00 0.00 41.96 41.89 2ww3 s TYR 184 CO -0.05 -0.10 -0.23 -0.08 -1.52 0.00 0.00 175.55 173.57 2ww3 s THR 185 N -2.43 1.91 0.00 -3.49 -1.32 -0.15 -1.84 115.64 108.31 2ww3 s THR 185 Ca 0.01 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 2ww3 s THR 185 Cb -0.03 -1.67 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 2ww3 s THR 185 CO -0.02 0.18 0.00 0.35 -2.21 0.00 0.00 174.62 172.93 2ww3 n THR 186 N 1.53 0.00 -1.68 5.08 -2.24 -1.23 -0.89 114.28 114.86 2ww3 n THR 186 Ca -0.18 -0.23 -0.53 0.00 -2.27 0.00 0.00 64.05 60.84 2ww3 n THR 186 Cb 0.53 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 2ww3 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ww3 n ARG 187 N -0.69 1.56 -4.18 -0.78 0.63 -1.22 -4.81 116.66 107.17 2ww3 n ARG 187 Ca 0.00 0.57 -0.15 0.00 -0.92 0.00 0.00 57.85 57.34 2ww3 n ARG 187 Cb 0.00 -2.30 -0.07 0.00 0.45 0.00 0.00 32.46 30.54 2ww3 n ARG 187 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ww3 s ASN 188 N 2.94 0.95 -0.10 6.15 4.22 -1.26 -3.60 114.94 124.24 2ww3 s ASN 188 Ca 0.92 -1.52 0.13 0.00 -2.14 0.00 0.00 52.86 50.25 2ww3 s ASN 188 Cb -0.90 0.56 0.30 0.00 1.28 0.00 0.00 41.25 42.49 2ww3 s ASN 188 CO 0.56 -1.10 1.22 -1.20 -2.04 0.00 0.00 177.10 174.53 2ww3 n SER 189 N -1.13 2.82 0.00 3.54 7.64 -1.03 -4.96 113.62 120.49 2ww3 n SER 189 Ca 0.03 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.25 2ww3 n SER 189 Cb 0.63 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2ww3 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ww3 n GLY 190 N -0.65 1.32 2.72 0.23 0.00 -1.26 -5.02 105.19 102.54 2ww3 n GLY 190 Ca 0.13 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.79 2ww3 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 191 N -0.05 -0.51 3.43 -0.02 0.00 -1.26 -4.37 105.19 102.41 2ww3 n GLY 191 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2ww3 n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww3 s VAL 192 N -3.06 2.40 0.83 1.61 -7.23 -1.26 0.21 120.40 113.90 2ww3 s VAL 192 Ca 0.15 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.27 2ww3 s VAL 192 Cb -0.07 -2.14 0.09 0.00 0.56 0.00 0.00 36.38 34.82 2ww3 s VAL 192 CO 0.19 -0.07 1.09 -2.84 -0.31 0.00 0.00 175.10 173.16 2ww3 s PRO 193 N -2.56 1.83 0.55 4.82 0.02 -1.25 -4.95 135.00 133.46 2ww3 s PRO 193 Ca 0.20 0.97 0.22 0.00 0.02 0.00 0.00 61.00 62.41 2ww3 s PRO 193 Cb -0.08 -1.86 1.46 0.00 0.02 0.00 0.00 34.50 34.03 2ww3 s PRO 193 CO 0.09 -1.88 2.14 0.93 -0.33 0.00 0.00 177.00 177.95 2ww3 h GLU 194 N -1.30 0.00 -0.64 5.54 5.08 -1.98 -1.09 114.58 120.19 2ww3 h GLU 194 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2ww3 h GLU 194 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2ww3 h GLU 194 CO 0.53 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.81 2ww3 n ASN 195 N -4.26 3.02 -4.69 1.42 6.94 -1.26 -4.96 115.26 111.46 2ww3 n ASN 195 Ca -0.00 -2.32 -0.44 0.00 -0.02 0.00 0.00 54.58 51.79 2ww3 n ASN 195 Cb 0.21 -0.48 -0.03 0.00 -2.36 0.00 0.00 39.78 37.11 2ww3 n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ww3 n PHE 196 N 0.44 2.49 -3.70 -2.53 7.35 -0.42 -4.98 117.46 116.11 2ww3 n PHE 196 Ca 0.14 0.19 -0.14 0.00 -0.76 0.00 0.00 57.45 56.89 2ww3 n PHE 196 Cb 0.61 -2.59 -0.09 0.00 0.35 0.00 0.00 39.48 37.76 2ww3 n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2ww3 s LYS 197 N 0.82 0.61 -0.27 -4.13 1.02 -1.26 -4.84 119.74 111.69 2ww3 s LYS 197 Ca 0.76 0.63 -0.05 0.00 0.02 0.00 0.00 55.97 57.32 2ww3 s LYS 197 Cb -0.60 0.29 0.01 0.00 -0.52 0.00 0.00 37.83 37.01 2ww3 s LYS 197 CO 0.37 -0.09 0.03 1.21 -0.92 0.00 0.00 175.35 175.96 2ww3 s ASN 198 N 0.12 4.86 -0.15 2.83 3.84 -0.07 -4.54 114.94 121.83 2ww3 s ASN 198 Ca -0.01 -0.67 -0.16 0.00 0.21 0.00 0.00 52.86 52.23 2ww3 s ASN 198 Cb -0.03 -1.82 -0.04 0.00 -0.55 0.00 0.00 41.25 38.80 2ww3 s ASN 198 CO 0.01 -0.15 0.39 -0.31 -2.79 0.00 0.00 177.10 174.26 2ww3 s TYR 199 N 1.47 3.46 0.08 0.43 1.51 0.51 -0.98 117.35 123.83 2ww3 s TYR 199 Ca 0.03 0.72 0.05 0.00 -1.01 0.00 0.00 57.07 56.86 2ww3 s TYR 199 Cb -0.17 -2.47 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 2ww3 s TYR 199 CO 0.00 0.15 -0.12 -0.59 -1.11 0.00 0.00 175.55 173.88 2ww3 s PHE 200 N 0.72 1.15 -0.03 2.71 -0.12 0.79 -1.17 117.98 122.02 2ww3 s PHE 200 Ca 0.21 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.57 2ww3 s PHE 200 Cb -0.14 -0.64 0.02 0.00 -0.63 0.00 0.00 43.02 41.64 2ww3 s PHE 200 CO 0.07 0.04 -0.02 0.42 -0.05 0.00 0.00 175.22 175.68 2ww3 s ILE 201 N -1.68 0.34 -0.14 -4.49 1.01 -0.61 -1.27 121.20 114.36 2ww3 s ILE 201 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2ww3 s ILE 201 Cb -0.08 -0.40 0.03 0.00 0.01 0.00 0.00 42.46 42.02 2ww3 s ILE 201 CO 0.02 0.18 -0.11 -0.63 0.00 0.00 0.00 174.94 174.39 2ww3 s ILE 202 N 0.91 1.37 -0.16 2.92 1.01 0.11 -2.37 121.20 124.98 2ww3 s ILE 202 Ca -0.11 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 2ww3 s ILE 202 Cb -0.14 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 2ww3 s ILE 202 CO -0.01 0.38 -0.13 -1.61 0.00 0.00 0.00 174.94 173.57 2ww3 s GLU 203 N 1.56 3.26 -0.03 2.79 2.02 0.04 -0.21 118.70 128.13 2ww3 s GLU 203 Ca 0.04 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.27 2ww3 s GLU 203 Cb -0.13 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 2ww3 s GLU 203 CO -0.09 -0.01 0.19 -0.06 0.02 0.00 0.00 175.26 175.31 2ww3 s PHE 204 N 0.89 3.57 -2.02 1.61 0.40 0.11 -1.17 117.98 121.37 2ww3 s PHE 204 Ca -0.03 0.44 0.11 0.00 -0.60 0.00 0.00 56.93 56.85 2ww3 s PHE 204 Cb -0.15 -1.89 0.33 0.00 0.51 0.00 0.00 43.02 41.82 2ww3 s PHE 204 CO -0.01 0.66 1.27 -0.40 0.70 0.00 0.00 175.22 177.44 2ww3 n ASP 205 N 1.19 1.75 -3.87 1.36 5.75 -0.81 -4.77 116.55 117.14 2ww3 n ASP 205 Ca -0.13 -1.98 -0.23 0.00 -0.01 0.00 0.00 54.79 52.45 2ww3 n ASP 205 Cb 0.53 -0.21 -0.17 0.00 -1.03 0.00 0.00 41.12 40.24 2ww3 n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ww3 s LYS 206 N -1.58 1.02 0.34 0.11 2.20 -1.26 -4.96 119.74 115.62 2ww3 s LYS 206 Ca 0.23 -0.11 -0.28 0.00 -0.36 0.00 0.00 55.97 55.45 2ww3 s LYS 206 Cb 0.12 -1.12 -0.12 0.00 -1.51 0.00 0.00 37.83 35.20 2ww3 s LYS 206 CO 0.16 -0.18 1.30 -2.30 -0.36 0.00 0.00 175.35 173.96 2ww3 n PRO 207 N 4.57 2.15 -2.42 4.03 -0.02 -1.26 -4.95 135.00 137.10 2ww3 n PRO 207 Ca -0.16 0.75 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 2ww3 n PRO 207 Cb 0.50 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 2ww3 n PRO 207 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2ww3 s PHE 208 N -1.09 3.49 -0.17 6.00 0.08 -1.26 -4.88 117.98 120.14 2ww3 s PHE 208 Ca 0.55 1.57 0.12 0.00 0.12 0.00 0.00 56.93 59.30 2ww3 s PHE 208 Cb -0.57 -3.36 -0.17 0.00 -0.57 0.00 0.00 43.02 38.35 2ww3 s PHE 208 CO 0.62 -0.88 0.34 2.41 -0.10 0.00 0.00 175.22 177.61 2ww3 n THR 209 N 1.78 0.00 -4.20 0.64 -1.04 0.36 -4.97 114.28 106.85 2ww3 n THR 209 Ca 0.01 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.05 61.60 2ww3 n THR 209 Cb 0.45 0.44 -0.14 0.00 -1.82 0.00 0.00 70.33 69.26 2ww3 n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ww3 s TYR 210 N -2.66 0.69 -0.22 -1.42 6.14 -0.73 -4.93 117.35 114.23 2ww3 s TYR 210 Ca -0.02 -0.24 -0.20 0.00 0.64 0.00 0.00 57.07 57.25 2ww3 s TYR 210 Cb 0.08 -0.43 0.06 0.00 0.42 0.00 0.00 41.96 42.09 2ww3 s TYR 210 CO 0.51 -0.02 0.59 -1.59 0.64 0.00 0.00 175.55 175.67 2ww3 s LYS 211 N -0.65 0.68 -0.15 4.97 -2.85 -1.26 -1.78 119.74 118.70 2ww3 s LYS 211 Ca -0.01 0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 55.49 2ww3 s LYS 211 Cb -0.05 0.33 0.09 0.00 -2.06 0.00 0.00 37.83 36.14 2ww3 s LYS 211 CO 0.00 -0.08 0.80 0.00 0.10 0.00 0.00 175.35 176.17 2ww3 s ALA 212 N 0.31 -1.83 0.32 0.59 0.00 -0.78 -1.57 121.76 118.80 2ww3 s ALA 212 Ca -0.00 1.61 0.07 0.00 0.00 0.00 0.00 51.96 53.64 2ww3 s ALA 212 Cb -0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2ww3 s ALA 212 CO 0.01 -0.33 0.27 0.95 0.00 0.00 0.00 175.76 176.65 2ww3 s THR 213 N -0.63 3.67 -0.01 0.00 -4.23 -0.70 -0.70 115.64 113.04 2ww3 s THR 213 Ca -0.05 -1.39 0.06 0.00 -1.18 0.00 0.00 61.69 59.13 2ww3 s THR 213 Cb -0.02 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.59 2ww3 s THR 213 CO 0.04 -0.21 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.03 2ww3 s VAL 214 N -2.28 1.54 -0.16 2.29 1.01 0.11 -0.25 120.40 122.66 2ww3 s VAL 214 Ca 0.39 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2ww3 s VAL 214 Cb -0.06 -1.28 0.08 0.00 0.00 0.00 0.00 36.38 35.11 2ww3 s VAL 214 CO 0.26 0.41 0.21 -0.70 0.00 0.00 0.00 175.10 175.29 2ww3 s GLU 215 N -0.51 0.15 -1.55 2.72 2.12 -0.76 -2.78 118.70 118.07 2ww3 s GLU 215 Ca 0.07 0.37 -0.14 0.00 0.36 0.00 0.00 54.97 55.63 2ww3 s GLU 215 Cb -0.08 -0.81 0.10 0.00 0.26 0.00 0.00 34.13 33.60 2ww3 s GLU 215 CO -0.01 -0.51 0.94 0.27 -0.54 0.00 0.00 175.26 175.41 2ww3 n ASN 216 N 5.33 -4.62 0.00 -1.70 0.23 -1.25 -1.66 115.26 111.58 2ww3 n ASN 216 Ca -0.05 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 2ww3 n ASN 216 Cb 0.50 -3.70 0.00 0.00 -2.08 0.00 0.00 39.78 34.50 2ww3 n ASN 216 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww3 n GLY 217 N -1.63 3.11 3.73 4.83 0.00 -1.26 -5.01 105.19 108.97 2ww3 n GLY 217 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2ww3 n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww3 s ASN 218 N -0.77 7.28 -0.02 1.61 0.01 -0.67 -4.95 114.94 117.44 2ww3 s ASN 218 Ca 0.00 1.54 -0.30 0.00 -0.71 0.00 0.00 52.86 53.39 2ww3 s ASN 218 Cb 0.00 -2.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 2ww3 s ASN 218 CO 0.00 -0.06 1.00 -0.22 -1.51 0.00 0.00 177.10 176.31 2ww3 s LEU 219 N 0.19 4.35 -0.34 0.60 2.96 -1.26 -1.83 118.68 123.35 2ww3 s LEU 219 Ca 0.42 1.66 0.01 0.00 -0.22 0.00 0.00 54.13 56.01 2ww3 s LEU 219 Cb -0.21 -3.57 0.10 0.00 0.50 0.00 0.00 46.19 43.02 2ww3 s LEU 219 CO 0.25 -0.31 0.10 -1.10 -1.32 0.00 0.00 176.35 173.97 2ww3 s GLN 220 N 1.20 1.06 0.19 1.98 -0.21 0.66 -4.99 119.66 119.55 2ww3 s GLN 220 Ca 0.52 -1.48 -0.31 0.00 0.02 0.00 0.00 55.36 54.11 2ww3 s GLN 220 Cb -0.21 -2.48 -0.10 0.00 1.00 0.00 0.00 33.01 31.22 2ww3 s GLN 220 CO 0.26 -0.99 1.54 -1.21 -2.12 0.00 0.00 175.29 172.77 2ww3 s GLU 221 N 1.21 4.22 -1.72 2.91 2.02 -1.26 -1.72 118.70 124.36 2ww3 s GLU 221 Ca 0.11 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.46 2ww3 s GLU 221 Cb -0.19 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 30.91 2ww3 s GLU 221 CO -0.16 -0.56 0.00 0.09 0.02 0.00 0.00 175.26 174.64 2ww3 n ASN 222 N 3.43 -4.97 -4.54 -0.19 3.02 -0.61 -4.95 115.26 106.45 2ww3 n ASN 222 Ca 0.12 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.64 2ww3 n ASN 222 Cb 0.39 -3.93 -0.09 0.00 -0.61 0.00 0.00 39.78 35.54 2ww3 n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ww3 s VAL 223 N -2.62 5.17 0.27 2.41 1.01 -1.15 -4.98 120.40 120.50 2ww3 s VAL 223 Ca 0.00 0.06 0.22 0.00 0.00 0.00 0.00 61.98 62.26 2ww3 s VAL 223 Cb 0.00 -3.82 0.20 0.00 0.00 0.00 0.00 36.38 32.76 2ww3 s VAL 223 CO 0.00 -0.09 1.88 0.00 0.00 0.00 0.00 175.10 176.89 2ww3 h ALA 224 N 8.46 1.15 -3.19 5.51 0.00 -1.89 -3.25 119.26 126.04 2ww3 h ALA 224 Ca -0.30 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 2ww3 h ALA 224 Cb 1.14 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.63 2ww3 h ALA 224 CO 0.69 0.32 -0.46 -2.00 0.00 0.00 0.00 179.25 177.80 2ww3 s GLU 225 N -3.89 0.26 -0.00 0.00 2.12 -1.26 -1.00 118.70 114.93 2ww3 s GLU 225 Ca -0.01 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.63 2ww3 s GLU 225 Cb 0.12 0.13 -0.00 0.00 0.26 0.00 0.00 34.13 34.63 2ww3 s GLU 225 CO 0.65 -0.03 -0.04 -0.65 -0.54 0.00 0.00 175.26 174.64 2ww3 s GLN 226 N 0.10 0.35 -0.20 4.30 -1.52 -0.45 -5.02 119.66 117.22 2ww3 s GLN 226 Ca -0.00 -0.19 -0.01 0.00 -1.95 0.00 0.00 55.36 53.21 2ww3 s GLN 226 Cb -0.02 -0.31 0.05 0.00 -0.22 0.00 0.00 33.01 32.51 2ww3 s GLN 226 CO 0.00 0.08 -0.02 0.99 -0.25 0.00 0.00 175.29 176.09 2ww3 s THR 227 N -0.20 1.08 0.31 -0.19 2.01 -1.26 -1.96 115.64 115.43 2ww3 s THR 227 Ca 0.01 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.99 2ww3 s THR 227 Cb -0.02 -1.40 0.03 0.00 0.01 0.00 0.00 72.50 71.12 2ww3 s THR 227 CO -0.00 -0.08 0.71 0.28 -0.69 0.00 0.00 174.62 174.85 2ww3 s THR 228 N 1.62 0.00 0.14 -0.82 -1.32 -0.97 -5.03 115.64 109.26 2ww3 s THR 228 Ca -0.02 -1.05 -0.22 0.00 -1.21 0.00 0.00 61.69 59.18 2ww3 s THR 228 Cb -0.17 -2.31 0.01 0.00 -1.51 0.00 0.00 72.50 68.52 2ww3 s THR 228 CO -0.07 0.00 1.64 -0.78 -2.21 0.00 0.00 174.62 173.20 2ww3 h ASP 229 N 2.02 -0.67 -3.39 8.08 3.58 -1.94 0.64 116.42 124.75 2ww3 h ASP 229 Ca -0.24 0.12 -0.60 0.00 0.42 0.00 0.00 57.03 56.73 2ww3 h ASP 229 Cb 1.25 0.32 -0.40 0.00 1.72 0.00 0.00 39.33 42.22 2ww3 h ASP 229 CO 0.30 -0.25 -0.75 -2.28 -2.88 0.00 0.00 179.24 173.38 2ww3 s HIS 230 N -6.10 1.88 0.32 0.28 2.46 -1.26 -0.02 115.29 112.85 2ww3 s HIS 230 Ca -0.15 -2.26 -0.06 0.00 0.47 0.00 0.00 55.06 53.06 2ww3 s HIS 230 Cb 0.12 -1.82 -0.05 0.00 -0.13 0.00 0.00 32.58 30.70 2ww3 s HIS 230 CO 0.68 -0.81 0.62 0.00 -2.47 0.00 0.00 174.74 172.76 2ww3 s ALA 231 N 0.64 3.55 0.27 1.58 0.00 -1.24 -3.96 121.76 122.60 2ww3 s ALA 231 Ca 0.16 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.44 2ww3 s ALA 231 Cb -0.23 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.51 2ww3 s ALA 231 CO -0.04 0.16 0.76 0.20 0.00 0.00 0.00 175.76 176.84 2ww3 s GLY 232 N -3.20 -0.06 0.02 0.00 0.00 -1.12 -2.01 107.32 100.96 2ww3 s GLY 232 Ca 0.46 -0.30 -0.10 0.00 0.00 0.00 0.00 44.72 44.78 2ww3 s GLY 232 CO 0.31 -0.06 0.20 0.00 0.00 0.00 0.00 173.10 173.54 2ww3 s ALA 233 N -3.64 -0.44 -0.07 3.20 0.00 -0.56 -0.71 121.76 119.54 2ww3 s ALA 233 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 2ww3 s ALA 233 Cb -0.05 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.29 2ww3 s ALA 233 CO 0.07 -0.29 0.01 0.42 0.00 0.00 0.00 175.76 175.97 2ww3 s ILE 234 N -1.95 0.32 0.31 0.00 1.01 0.12 -0.52 121.20 120.49 2ww3 s ILE 234 Ca -0.10 0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.77 2ww3 s ILE 234 Cb -0.04 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 2ww3 s ILE 234 CO -0.01 0.22 0.01 0.27 0.00 0.00 0.00 174.94 175.44 2ww3 s ILE 235 N 1.99 3.01 0.23 2.92 -5.25 -0.82 -1.87 121.20 121.42 2ww3 s ILE 235 Ca 0.05 -1.94 -0.21 0.00 -0.99 0.00 0.00 60.65 57.56 2ww3 s ILE 235 Cb -0.12 -2.80 0.04 0.00 2.95 0.00 0.00 42.46 42.52 2ww3 s ILE 235 CO -0.05 -0.28 0.66 -0.83 -1.79 0.00 0.00 174.94 172.64 2ww3 s GLY 236 N -3.70 -0.24 0.04 6.27 0.00 -0.74 -0.09 107.32 108.86 2ww3 s GLY 236 Ca 0.34 -0.06 -0.27 0.00 0.00 0.00 0.00 44.72 44.72 2ww3 s GLY 236 CO 0.20 -0.04 1.21 -0.11 0.00 0.00 0.00 173.10 174.35 2ww3 s PHE 237 N -3.86 0.02 -0.03 1.90 -0.00 -0.27 -0.48 117.98 115.24 2ww3 s PHE 237 Ca 0.08 -0.22 -0.18 0.00 -0.00 0.00 0.00 56.93 56.61 2ww3 s PHE 237 Cb -0.04 0.60 -0.05 0.00 -0.00 0.00 0.00 43.02 43.53 2ww3 s PHE 237 CO -0.00 -0.47 0.50 -1.59 -0.00 0.00 0.00 175.22 173.66 2ww3 s LYS 238 N -2.20 4.20 0.11 1.99 -2.85 -1.26 -1.50 119.74 118.25 2ww3 s LYS 238 Ca 0.24 0.54 0.09 0.00 -1.00 0.00 0.00 55.97 55.84 2ww3 s LYS 238 Cb -0.00 -3.33 -0.04 0.00 -2.06 0.00 0.00 37.83 32.40 2ww3 s LYS 238 CO 0.00 0.42 -0.23 0.95 0.10 0.00 0.00 175.35 176.59 2ww3 s THR 239 N -0.27 1.94 0.66 3.79 -4.23 -0.73 -4.99 115.64 111.81 2ww3 s THR 239 Ca 0.27 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 2ww3 s THR 239 Cb -0.17 -1.74 0.11 0.00 1.34 0.00 0.00 72.50 72.04 2ww3 s THR 239 CO 0.14 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.13 2ww3 s ARG 240 N -1.97 1.92 0.19 3.99 1.70 -1.26 -1.55 118.95 121.96 2ww3 s ARG 240 Ca 0.10 -1.27 -0.31 0.00 -0.47 0.00 0.00 55.73 53.78 2ww3 s ARG 240 Cb -0.10 -2.44 -0.09 0.00 -0.57 0.00 0.00 34.95 31.74 2ww3 s ARG 240 CO 0.05 -1.22 1.43 0.21 -1.08 0.00 0.00 175.30 174.69 2ww3 s LYS 241 N -4.97 4.29 0.00 3.89 2.20 -1.26 -2.19 119.74 121.71 2ww3 s LYS 241 Ca 0.64 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 2ww3 s LYS 241 Cb -0.06 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2ww3 s LYS 241 CO 0.42 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 2ww3 n GLY 242 N 2.91 0.37 3.72 5.54 0.00 -0.45 -4.90 105.19 112.38 2ww3 n GLY 242 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2ww3 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww3 s GLU 243 N -0.74 4.17 -0.18 1.61 2.12 -0.93 -4.67 118.70 120.08 2ww3 s GLU 243 Ca 0.00 2.48 -0.09 0.00 0.36 0.00 0.00 54.97 57.72 2ww3 s GLU 243 Cb 0.00 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 2ww3 s GLU 243 CO 0.00 -0.68 0.12 -0.65 -0.54 0.00 0.00 175.26 173.50 2ww3 s GLN 244 N 1.22 4.03 -0.13 4.30 -0.21 -1.26 -1.33 119.66 126.28 2ww3 s GLN 244 Ca 0.73 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.90 2ww3 s GLN 244 Cb -0.47 -3.34 0.01 0.00 1.00 0.00 0.00 33.01 30.21 2ww3 s GLN 244 CO 0.32 0.37 -0.19 0.08 -2.12 0.00 0.00 175.29 173.75 2ww3 s VAL 245 N 0.14 1.79 -0.13 1.09 1.01 -0.46 -4.97 120.40 118.88 2ww3 s VAL 245 Ca 0.08 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 2ww3 s VAL 245 Cb -0.11 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2ww3 s VAL 245 CO -0.01 0.50 0.09 0.20 0.00 0.00 0.00 175.10 175.89 2ww3 s ASN 246 N 0.95 5.98 -0.21 3.32 0.01 -1.26 -0.63 114.94 123.10 2ww3 s ASN 246 Ca -0.06 0.30 0.01 0.00 -0.71 0.00 0.00 52.86 52.41 2ww3 s ASN 246 Cb -0.15 -1.92 0.04 0.00 0.41 0.00 0.00 41.25 39.63 2ww3 s ASN 246 CO -0.03 0.34 -0.14 0.00 -1.51 0.00 0.00 177.10 175.77 2ww3 s ALA 247 N -0.61 2.25 -0.05 0.60 0.00 0.40 -1.93 121.76 122.41 2ww3 s ALA 247 Ca 0.12 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 2ww3 s ALA 247 Cb -0.12 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2ww3 s ALA 247 CO 0.02 -0.76 0.74 1.03 0.00 0.00 0.00 175.76 176.79 2ww3 s ARG 248 N 1.29 4.46 0.01 0.00 0.52 -0.32 -0.93 118.95 123.97 2ww3 s ARG 248 Ca -0.01 0.96 0.01 0.00 -0.52 0.00 0.00 55.73 56.17 2ww3 s ARG 248 Cb -0.16 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 31.85 2ww3 s ARG 248 CO -0.09 0.05 -0.05 0.42 0.02 0.00 0.00 175.30 175.66 2ww3 s ILE 249 N 0.81 0.34 0.05 1.52 1.01 -0.28 -0.78 121.20 123.88 2ww3 s ILE 249 Ca 0.40 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 2ww3 s ILE 249 Cb -0.18 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 41.97 2ww3 s ILE 249 CO 0.20 -0.03 0.31 0.00 0.00 0.00 0.00 174.94 175.41 2ww3 s ALA 250 N -0.42 -0.68 0.32 9.38 0.00 -1.00 -0.06 121.76 129.31 2ww3 s ALA 250 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.96 2ww3 s ALA 250 Cb -0.04 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 2ww3 s ALA 250 CO -0.00 -0.44 0.21 -1.54 0.00 0.00 0.00 175.76 174.00 2ww3 s SER 251 N -2.16 1.60 -0.02 0.00 1.04 -1.21 -1.57 113.70 111.38 2ww3 s SER 251 Ca -0.04 -1.66 -0.24 0.00 0.48 0.00 0.00 55.95 54.49 2ww3 s SER 251 Cb -0.00 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.66 2ww3 s SER 251 CO -0.04 -0.98 0.54 -0.55 0.98 0.00 0.00 173.24 173.19 2ww3 s SER 252 N -3.38 -0.48 0.00 7.02 0.15 -0.32 -4.71 113.70 111.99 2ww3 s SER 252 Ca 0.37 0.41 0.23 0.00 0.70 0.00 0.00 55.95 57.66 2ww3 s SER 252 Cb 0.04 0.47 0.63 0.00 -1.71 0.00 0.00 66.02 65.45 2ww3 s SER 252 CO 0.22 -0.60 1.50 0.49 1.20 0.00 0.00 173.24 176.05 2ww3 n PHE 253 N 0.87 0.23 -0.08 3.44 3.01 -1.26 -0.36 117.46 123.31 2ww3 n PHE 253 Ca -0.20 -0.11 -0.10 0.00 1.01 0.00 0.00 57.45 58.05 2ww3 n PHE 253 Cb 0.58 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.01 2ww3 n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2ww3 n ILE 254 N 0.75 1.44 -3.76 4.37 5.41 -1.26 -4.73 119.36 121.57 2ww3 n ILE 254 Ca 0.17 0.11 -0.03 0.00 1.00 0.00 0.00 62.75 64.00 2ww3 n ILE 254 Cb 0.44 -2.18 -0.01 0.00 -0.71 0.00 0.00 39.64 37.18 2ww3 n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ww3 s SER 255 N -6.08 -0.17 0.22 4.38 1.04 -1.26 -4.98 113.70 106.84 2ww3 s SER 255 Ca -0.26 -0.43 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 2ww3 s SER 255 Cb 0.05 0.50 0.19 0.00 0.10 0.00 0.00 66.02 66.85 2ww3 s SER 255 CO 0.37 -0.92 1.88 -0.26 0.98 0.00 0.00 173.24 175.29 2ww3 h PHE 256 N 2.00 1.08 -0.43 5.02 0.04 -1.93 -0.57 116.94 122.16 2ww3 h PHE 256 Ca -0.24 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.56 2ww3 h PHE 256 Cb 1.23 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 2ww3 h PHE 256 CO 0.42 0.71 0.24 1.49 -0.60 0.00 0.00 178.31 180.57 2ww3 h GLU 257 N 1.15 0.48 -0.82 1.51 4.81 -1.99 -0.48 114.58 119.23 2ww3 h GLU 257 Ca 0.30 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 2ww3 h GLU 257 Cb -0.09 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 2ww3 h GLU 257 CO -0.06 0.31 0.36 0.37 -0.73 0.00 0.00 179.01 179.26 2ww3 h GLN 258 N 0.49 1.20 -0.75 1.92 5.75 -1.87 -1.39 115.11 120.46 2ww3 h GLN 258 Ca 0.17 -0.20 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 2ww3 h GLN 258 Cb 0.03 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.31 2ww3 h GLN 258 CO -0.09 0.94 0.42 0.00 -2.65 0.00 0.00 178.83 177.46 2ww3 h ALA 259 N 1.19 1.03 -0.52 3.38 0.00 -0.73 0.21 119.26 123.83 2ww3 h ALA 259 Ca 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2ww3 h ALA 259 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2ww3 h ALA 259 CO -0.03 0.09 0.26 0.00 0.00 0.00 0.00 179.25 179.57 2ww3 h ALA 260 N 1.40 0.66 -0.46 0.00 0.00 -0.43 -0.49 119.26 119.95 2ww3 h ALA 260 Ca 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2ww3 h ALA 260 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2ww3 h ALA 260 CO -0.21 0.21 0.25 0.00 0.00 0.00 0.00 179.25 179.50 2ww3 h ALA 261 N 1.10 0.58 -0.55 0.00 0.00 -0.63 -2.22 119.26 117.54 2ww3 h ALA 261 Ca 0.18 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2ww3 h ALA 261 Cb 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2ww3 h ALA 261 CO -0.03 0.11 0.37 -0.91 0.00 0.00 0.00 179.25 178.79 2ww3 h ASN 262 N 0.60 0.43 -0.79 0.00 2.35 -0.18 -1.22 115.58 116.77 2ww3 h ASN 262 Ca 0.16 0.00 0.22 0.00 -0.55 0.00 0.00 56.30 56.13 2ww3 h ASN 262 Cb 0.06 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 2ww3 h ASN 262 CO -0.03 0.28 0.56 -0.03 -1.65 0.00 0.00 177.43 176.56 2ww3 h MET 263 N 0.49 0.09 0.00 0.81 4.05 -0.44 -0.87 114.93 119.05 2ww3 h MET 263 Ca 0.24 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2ww3 h MET 263 Cb 0.32 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2ww3 h MET 263 CO -0.07 0.06 0.00 0.09 0.23 0.00 0.00 176.91 177.22 2ww3 n ASN 264 N -4.35 0.00 0.25 1.39 5.03 -0.46 -1.66 115.26 115.46 2ww3 n ASN 264 Ca 0.16 0.29 0.10 0.00 0.87 0.00 0.00 54.58 56.00 2ww3 n ASN 264 Cb 0.80 -0.37 0.65 0.00 -1.02 0.00 0.00 39.78 39.83 2ww3 n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ww3 h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.33 -2.38 114.58 119.46 2ww3 h GLU 265 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2ww3 h GLU 265 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2ww3 h GLU 265 CO 0.00 0.15 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.69 2ww3 h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.53 -3.49 115.31 115.00 2ww3 h LEU 266 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ww3 h LEU 266 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ww3 h LEU 266 CO 0.02 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.56 2ww3 n GLY 267 N 0.61 2.85 0.98 0.83 0.00 -0.90 -2.04 105.19 107.52 2ww3 n GLY 267 Ca 0.01 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.86 2ww3 n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww3 n LYS 268 N 14.00 3.10 -2.01 1.61 4.76 -1.26 -4.98 118.16 133.38 2ww3 n LYS 268 Ca 0.00 -2.51 -0.38 0.00 -2.87 0.00 0.00 58.31 52.55 2ww3 n LYS 268 Cb 0.00 -1.60 0.02 0.00 -1.84 0.00 0.00 35.03 31.61 2ww3 n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ww3 s ASP 269 N -1.24 5.72 0.59 4.39 1.01 -0.87 -5.05 116.67 121.22 2ww3 s ASP 269 Ca 0.37 2.55 0.01 0.00 0.71 0.00 0.00 52.55 56.19 2ww3 s ASP 269 Cb 0.24 -2.62 0.10 0.00 1.01 0.00 0.00 42.92 41.65 2ww3 s ASP 269 CO 0.17 -1.25 0.69 -0.46 0.21 0.00 0.00 175.17 174.53 2ww3 n ASN 270 N -0.74 1.08 -0.13 0.27 0.23 -1.26 -4.89 115.26 109.82 2ww3 n ASN 270 Ca 0.09 -1.87 -0.04 0.00 -0.53 0.00 0.00 54.58 52.22 2ww3 n ASN 270 Cb 0.46 -0.43 0.04 0.00 -2.08 0.00 0.00 39.78 37.77 2ww3 n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2ww3 h ILE 271 N -0.42 0.77 -0.24 1.53 1.08 -1.97 -1.77 117.51 116.49 2ww3 h ILE 271 Ca -0.23 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 64.19 2ww3 h ILE 271 Cb 0.88 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 2ww3 h ILE 271 CO 0.26 0.04 0.12 -0.33 -0.69 0.00 0.00 178.15 177.54 2ww3 h GLU 272 N 0.20 0.25 -0.27 2.37 3.07 -1.99 0.93 114.58 119.14 2ww3 h GLU 272 Ca 0.20 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2ww3 h GLU 272 Cb 0.25 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2ww3 h GLU 272 CO -0.27 0.16 0.16 1.96 -1.40 0.00 0.00 179.01 179.62 2ww3 h GLN 273 N 0.26 0.37 -0.40 2.33 4.20 -1.85 -1.71 115.11 118.30 2ww3 h GLN 273 Ca 0.10 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 2ww3 h GLN 273 Cb 0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2ww3 h GLN 273 CO -0.07 0.30 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.03 2ww3 h LEU 274 N 0.34 0.91 -0.07 1.46 3.38 -1.16 -0.65 115.31 119.52 2ww3 h LEU 274 Ca 0.10 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2ww3 h LEU 274 Cb 0.02 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 2ww3 h LEU 274 CO -0.02 1.13 -0.23 0.00 0.09 0.00 0.00 178.44 179.42 2ww3 h ALA 275 N 0.92 -0.24 -0.66 1.53 0.00 -0.81 0.12 119.26 120.11 2ww3 h ALA 275 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ww3 h ALA 275 Cb 0.85 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2ww3 h ALA 275 CO 0.07 -0.71 0.42 0.37 0.00 0.00 0.00 179.25 179.40 2ww3 h GLN 276 N -0.32 0.80 -0.70 0.00 5.75 -0.94 0.18 115.11 119.88 2ww3 h GLN 276 Ca 0.08 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 2ww3 h GLN 276 Cb 0.44 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2ww3 h GLN 276 CO -0.26 0.53 0.20 0.87 -2.65 0.00 0.00 178.83 177.51 2ww3 h LYS 277 N 0.82 1.10 -0.45 1.69 1.57 -0.91 0.40 116.57 120.79 2ww3 h LYS 277 Ca 0.26 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2ww3 h LYS 277 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2ww3 h LYS 277 CO -0.10 0.96 0.18 0.78 -0.57 0.00 0.00 179.45 180.70 2ww3 h GLY 278 N 1.04 0.72 0.80 3.86 0.00 -0.04 -0.88 103.07 108.57 2ww3 h GLY 278 Ca 0.22 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.21 2ww3 h GLY 278 CO -0.00 0.37 0.50 1.70 0.00 0.00 0.00 176.54 179.11 2ww3 h LYS 279 N 0.58 0.92 -0.32 4.80 3.64 -0.48 -0.20 116.57 125.51 2ww3 h LYS 279 Ca 0.15 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2ww3 h LYS 279 Cb 0.19 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2ww3 h LYS 279 CO -0.01 0.61 0.11 -0.44 -2.27 0.00 0.00 179.45 177.45 2ww3 h ASP 280 N 0.95 0.47 -0.70 4.20 3.32 -0.72 -0.71 116.42 123.23 2ww3 h ASP 280 Ca 0.34 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.23 2ww3 h ASP 280 Cb 0.09 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 2ww3 h ASP 280 CO -0.14 0.54 0.43 0.00 -1.72 0.00 0.00 179.24 178.34 2ww3 h ALA 281 N 0.95 0.92 -0.24 3.45 0.00 -0.70 -1.81 119.26 121.83 2ww3 h ALA 281 Ca 0.10 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 2ww3 h ALA 281 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ww3 h ALA 281 CO -0.00 0.18 -0.49 -1.49 0.00 0.00 0.00 179.25 177.44 2ww3 h TRP 282 N 0.82 0.79 0.00 0.00 4.06 -0.86 -3.00 115.95 117.77 2ww3 h TRP 282 Ca 0.29 -0.26 -0.08 0.00 2.06 0.00 0.00 58.89 60.89 2ww3 h TRP 282 Cb 0.06 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 2ww3 h TRP 282 CO -0.05 1.01 -0.40 -0.91 -3.56 0.00 0.00 178.44 174.52 2ww3 h ASN 283 N 0.51 0.00 -0.76 -3.49 -0.26 -0.81 0.46 115.58 111.23 2ww3 h ASN 283 Ca 0.02 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.72 2ww3 h ASN 283 Cb 1.04 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.26 2ww3 h ASN 283 CO 0.10 0.40 0.31 -0.61 -1.06 0.00 0.00 177.43 176.57 2ww3 h GLN 284 N 0.00 1.14 0.06 0.81 5.75 -1.19 0.10 115.11 121.77 2ww3 h GLN 284 Ca -0.00 -0.20 -0.29 0.00 -0.15 0.00 0.00 58.65 58.00 2ww3 h GLN 284 Cb 0.73 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 2ww3 h GLN 284 CO 0.05 0.92 -1.58 -0.39 -2.65 0.00 0.00 178.83 175.19 2ww3 h VAL 285 N 1.11 1.05 -0.27 2.39 -1.51 -1.44 -3.35 116.25 114.23 2ww3 h VAL 285 Ca 0.26 -2.80 -0.14 0.00 -1.23 0.00 0.00 66.70 62.79 2ww3 h VAL 285 Cb 0.21 2.61 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2ww3 h VAL 285 CO -0.02 0.73 -0.39 -0.07 -1.23 0.00 0.00 177.57 176.58 2ww3 h LEU 286 N 0.03 0.82 0.00 4.19 3.38 -0.86 -3.04 115.31 119.83 2ww3 h LEU 286 Ca -0.25 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2ww3 h LEU 286 Cb 1.98 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2ww3 h LEU 286 CO 0.12 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.43 2ww3 n GLY 287 N 0.28 -0.50 0.15 0.83 0.00 0.34 -1.99 105.19 104.31 2ww3 n GLY 287 Ca -0.04 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2ww3 n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww3 h LYS 288 N 0.00 0.00 -3.62 1.61 1.79 -1.67 -3.38 116.57 111.30 2ww3 h LYS 288 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2ww3 h LYS 288 Cb 0.06 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.31 2ww3 h LYS 288 CO 0.00 0.00 -0.76 0.42 -1.08 0.00 0.00 179.45 178.03 2ww3 s ILE 289 N -3.38 0.74 -0.28 1.86 1.01 -0.84 -0.61 121.20 119.70 2ww3 s ILE 289 Ca 0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 2ww3 s ILE 289 Cb 0.09 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 2ww3 s ILE 289 CO 0.39 -0.36 0.19 -1.61 0.00 0.00 0.00 174.94 173.55 2ww3 s GLU 290 N 1.73 3.90 0.05 2.79 2.02 -0.23 -4.94 118.70 124.02 2ww3 s GLU 290 Ca 0.02 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.68 2ww3 s GLU 290 Cb -0.17 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 2ww3 s GLU 290 CO -0.14 -0.20 0.06 0.14 0.02 0.00 0.00 175.26 175.14 2ww3 s VAL 291 N 1.75 4.47 0.09 2.63 -7.23 -1.26 -0.48 120.40 120.36 2ww3 s VAL 291 Ca 0.07 -0.67 -0.07 0.00 -1.81 0.00 0.00 61.98 59.50 2ww3 s VAL 291 Cb -0.16 -3.10 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 2ww3 s VAL 291 CO 0.11 0.22 0.15 -1.61 -0.31 0.00 0.00 175.10 173.65 2ww3 s GLU 292 N -2.08 0.82 -0.67 4.82 2.02 -0.35 -4.94 118.70 118.32 2ww3 s GLU 292 Ca 0.26 -1.05 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 2ww3 s GLU 292 Cb -0.12 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.43 2ww3 s GLU 292 CO 0.18 -0.25 0.58 0.41 0.02 0.00 0.00 175.26 176.20 2ww3 n GLY 293 N -0.04 0.13 2.15 -1.39 0.00 -1.26 -2.23 105.19 102.55 2ww3 n GLY 293 Ca -0.14 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 2ww3 n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 294 N -1.21 3.55 3.93 -0.02 0.00 -1.26 -2.63 105.19 107.55 2ww3 n GLY 294 Ca -0.05 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 2ww3 n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww3 s ASN 295 N -2.61 5.46 0.39 1.61 2.20 -1.26 -4.95 114.94 115.78 2ww3 s ASN 295 Ca 0.13 -0.49 0.06 0.00 -0.94 0.00 0.00 52.86 51.63 2ww3 s ASN 295 Cb 0.01 -0.82 0.79 0.00 -2.00 0.00 0.00 41.25 39.23 2ww3 s ASN 295 CO 0.09 -0.57 2.02 0.25 -2.94 0.00 0.00 177.10 175.96 2ww3 h LEU 296 N 0.95 0.57 -0.69 3.54 5.85 -2.02 -0.74 115.31 122.77 2ww3 h LEU 296 Ca -0.43 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.34 2ww3 h LEU 296 Cb 1.27 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2ww3 h LEU 296 CO 0.53 0.40 0.40 0.44 -0.34 0.00 0.00 178.44 179.87 2ww3 h ASP 297 N 0.66 0.62 -0.06 1.25 3.32 -1.99 -1.00 116.42 119.22 2ww3 h ASP 297 Ca 0.22 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.11 2ww3 h ASP 297 Cb 0.05 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.51 2ww3 h ASP 297 CO -0.06 0.40 -0.66 1.56 -1.72 0.00 0.00 179.24 178.77 2ww3 h GLN 298 N 0.75 0.56 -0.60 3.56 4.20 -1.59 0.16 115.11 122.16 2ww3 h GLN 298 Ca 0.30 -0.52 0.04 0.00 0.06 0.00 0.00 58.65 58.53 2ww3 h GLN 298 Cb 0.15 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 2ww3 h GLN 298 CO -0.16 1.14 0.35 1.88 -0.67 0.00 0.00 178.83 181.37 2ww3 h TYR 299 N 0.16 0.65 -0.23 2.96 0.05 -1.11 0.17 116.97 119.62 2ww3 h TYR 299 Ca -0.06 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.68 2ww3 h TYR 299 Cb 1.32 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 2ww3 h TYR 299 CO 0.12 0.35 -0.07 0.00 -1.05 0.00 0.00 178.16 177.51 2ww3 h ARG 300 N 0.67 0.44 -0.34 4.88 3.08 -1.02 -1.79 114.38 120.31 2ww3 h ARG 300 Ca 0.25 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.15 2ww3 h ARG 300 Cb 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2ww3 h ARG 300 CO -0.13 0.69 0.18 1.15 -1.07 0.00 0.00 179.97 180.79 2ww3 h THR 301 N 0.17 1.00 0.13 2.04 2.02 -0.54 -0.35 112.91 117.38 2ww3 h THR 301 Ca 0.06 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 2ww3 h THR 301 Cb 0.53 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2ww3 h THR 301 CO 0.02 0.07 -0.06 0.15 0.37 0.00 0.00 175.52 176.07 2ww3 h PHE 302 N 0.37 -0.16 -0.00 3.16 3.57 -0.53 -1.12 116.94 122.22 2ww3 h PHE 302 Ca 0.14 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.44 2ww3 h PHE 302 Cb 0.03 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2ww3 h PHE 302 CO -0.09 -0.08 -0.87 1.88 -2.23 0.00 0.00 178.31 176.92 2ww3 h TYR 303 N -0.20 0.32 -0.21 0.41 0.05 -1.32 -0.07 116.97 115.95 2ww3 h TYR 303 Ca -0.02 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 58.63 2ww3 h TYR 303 Cb 0.16 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 2ww3 h TYR 303 CO -0.06 0.98 -0.06 0.77 -1.05 0.00 0.00 178.16 178.74 2ww3 h SER 304 N 0.12 -0.22 -0.78 3.88 0.02 -1.02 0.40 113.55 115.95 2ww3 h SER 304 Ca -0.04 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2ww3 h SER 304 Cb 1.49 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 64.13 2ww3 h SER 304 CO 0.13 -0.08 0.51 0.00 -1.14 0.00 0.00 176.83 176.25 2ww3 h LEU 306 N 1.06 0.66 -0.47 0.00 5.85 -0.55 -1.64 115.31 120.21 2ww3 h LEU 306 Ca 0.28 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.96 2ww3 h LEU 306 Cb -0.11 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 40.67 2ww3 h LEU 306 CO -0.06 0.61 -0.12 0.22 -0.34 0.00 0.00 178.44 178.75 2ww3 h TYR 307 N 0.66 -0.25 0.00 1.25 3.20 0.12 -1.85 116.97 120.09 2ww3 h TYR 307 Ca 0.17 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2ww3 h TYR 307 Cb 0.14 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2ww3 h TYR 307 CO -0.00 -0.20 0.00 0.00 -1.64 0.00 0.00 178.16 176.31 2ww3 h ARG 308 N -0.00 0.00 -0.00 1.82 2.47 -0.92 -1.65 114.38 116.10 2ww3 h ARG 308 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2ww3 h ARG 308 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2ww3 h ARG 308 CO -0.48 0.00 -0.01 0.43 0.56 0.00 0.00 179.97 180.46 2ww3 n SER 309 N -2.89 0.44 -1.77 7.04 7.64 -0.65 -3.71 113.62 119.71 2ww3 n SER 309 Ca -0.00 -1.04 -0.08 0.00 1.01 0.00 0.00 58.87 58.76 2ww3 n SER 309 Cb 0.22 -0.02 0.07 0.00 -1.01 0.00 0.00 64.21 63.47 2ww3 n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ww3 n LEU 310 N -0.71 3.20 0.00 -3.43 4.77 -0.62 -4.73 117.00 115.48 2ww3 n LEU 310 Ca 0.21 -3.84 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 2ww3 n LEU 310 Cb 0.20 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2ww3 n LEU 310 CO 0.18 1.51 -0.40 0.18 -1.33 0.00 0.00 177.39 177.54 2ww3 n LEU 311 N -0.64 1.56 -4.41 2.23 4.77 -1.26 -1.55 117.00 117.71 2ww3 n LEU 311 Ca 0.25 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.93 2ww3 n LEU 311 Cb 0.89 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.84 2ww3 n LEU 311 CO 0.17 0.22 -0.53 -0.36 -1.33 0.00 0.00 177.39 175.56 2ww3 s PHE 312 N -1.86 2.44 0.56 -1.77 0.40 -1.26 -3.63 117.98 112.84 2ww3 s PHE 312 Ca 0.00 -0.33 -0.18 0.00 -0.60 0.00 0.00 56.93 55.82 2ww3 s PHE 312 Cb 0.00 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 2ww3 s PHE 312 CO 0.00 0.22 1.06 -1.25 0.70 0.00 0.00 175.22 175.95 2ww3 s PRO 313 N -1.46 3.44 0.27 0.24 0.04 -1.26 -4.90 135.00 131.37 2ww3 s PRO 313 Ca 0.14 1.31 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 2ww3 s PRO 313 Cb -0.10 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2ww3 s PRO 313 CO 0.04 -0.72 0.71 -0.98 0.04 0.00 0.00 177.00 176.09 2ww3 s ARG 314 N -3.72 4.07 0.09 4.56 1.70 0.02 -4.72 118.95 120.94 2ww3 s ARG 314 Ca 0.66 0.69 -0.37 0.00 -0.47 0.00 0.00 55.73 56.25 2ww3 s ARG 314 Cb -0.17 -2.62 -0.17 0.00 -0.57 0.00 0.00 34.95 31.42 2ww3 s ARG 314 CO 0.31 0.26 1.29 1.63 -1.08 0.00 0.00 175.30 177.71 2ww3 n LYS 315 N 0.07 1.02 -0.05 3.89 5.02 -0.15 -1.79 118.16 126.17 2ww3 n LYS 315 Ca 0.01 0.37 0.03 0.00 -2.02 0.00 0.00 58.31 56.69 2ww3 n LYS 315 Cb 0.52 -1.97 0.04 0.00 -0.02 0.00 0.00 35.03 33.60 2ww3 n LYS 315 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ww3 n PHE 316 N 2.28 0.00 -4.12 2.13 7.35 0.15 -3.80 117.46 121.45 2ww3 n PHE 316 Ca 0.18 -0.54 -0.23 0.00 -0.76 0.00 0.00 57.45 56.10 2ww3 n PHE 316 Cb 0.18 -0.07 -0.05 0.00 0.35 0.00 0.00 39.48 39.90 2ww3 n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ww3 s TYR 317 N -1.31 3.09 0.21 -5.13 -0.85 -1.14 -4.47 117.35 107.74 2ww3 s TYR 317 Ca 0.08 -0.10 0.02 0.00 -0.52 0.00 0.00 57.07 56.55 2ww3 s TYR 317 Cb 0.07 -1.41 -0.05 0.00 0.38 0.00 0.00 41.96 40.96 2ww3 s TYR 317 CO 0.01 0.53 0.03 -1.21 -1.52 0.00 0.00 175.55 173.39 2ww3 s GLU 318 N -3.71 1.23 -0.15 -3.49 2.02 0.22 -4.96 118.70 109.86 2ww3 s GLU 318 Ca 0.32 -1.62 -0.05 0.00 0.02 0.00 0.00 54.97 53.64 2ww3 s GLU 318 Cb -0.08 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.83 2ww3 s GLU 318 CO 0.24 -0.19 0.03 -0.51 0.02 0.00 0.00 175.26 174.86 2ww3 s LEU 319 N -3.23 3.66 0.00 1.80 2.01 -1.26 -1.07 118.68 120.59 2ww3 s LEU 319 Ca 0.29 0.07 -0.04 0.00 0.01 0.00 0.00 54.13 54.46 2ww3 s LEU 319 Cb 0.07 -1.89 0.07 0.00 0.01 0.00 0.00 46.19 44.44 2ww3 s LEU 319 CO 0.08 0.23 0.42 -0.90 1.01 0.00 0.00 176.35 177.19 2ww3 n ASP 320 N 3.12 0.18 -0.30 2.29 5.68 0.10 -4.85 116.55 122.78 2ww3 n ASP 320 Ca -0.17 -1.24 0.14 0.00 -0.50 0.00 0.00 54.79 53.01 2ww3 n ASP 320 Cb 0.53 -0.31 0.31 0.00 -1.14 0.00 0.00 41.12 40.51 2ww3 n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ww3 h ALA 321 N -1.45 1.39 -0.51 2.12 0.00 -1.99 -0.95 119.26 117.87 2ww3 h ALA 321 Ca -0.14 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2ww3 h ALA 321 Cb 0.41 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2ww3 h ALA 321 CO 0.11 -0.42 0.10 0.09 0.00 0.00 0.00 179.25 179.13 2ww3 n ASN 322 N -5.13 4.49 -0.61 0.00 3.02 -1.26 -4.90 115.26 110.87 2ww3 n ASN 322 Ca 0.22 -2.83 -0.08 0.00 -0.03 0.00 0.00 54.58 51.86 2ww3 n ASN 322 Cb 0.69 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 2ww3 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ww3 n GLY 323 N 0.24 0.96 3.85 7.41 0.00 -0.36 -5.02 105.19 112.27 2ww3 n GLY 323 Ca 0.27 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2ww3 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 324 N -2.42 3.95 0.05 1.61 -1.52 -1.26 -4.77 119.66 115.29 2ww3 s GLN 324 Ca 0.00 0.45 -0.30 0.00 -1.95 0.00 0.00 55.36 53.56 2ww3 s GLN 324 Cb 0.00 -2.97 -0.05 0.00 -0.22 0.00 0.00 33.01 29.78 2ww3 s GLN 324 CO 0.00 0.51 1.07 -1.25 -0.25 0.00 0.00 175.29 175.37 2ww3 s PRO 325 N -1.88 4.52 0.34 2.91 0.04 -1.26 -0.72 135.00 138.95 2ww3 s PRO 325 Ca 0.36 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.02 2ww3 s PRO 325 Cb -0.15 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.94 2ww3 s PRO 325 CO 0.19 -0.10 0.08 0.96 0.04 0.00 0.00 177.00 178.17 2ww3 s ILE 326 N 0.85 0.98 -0.18 0.56 -4.36 -0.23 -0.20 121.20 118.62 2ww3 s ILE 326 Ca 0.54 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.69 2ww3 s ILE 326 Cb -0.25 -2.67 0.06 0.00 1.25 0.00 0.00 42.46 40.85 2ww3 s ILE 326 CO 0.29 0.00 0.63 -1.38 0.24 0.00 0.00 174.94 174.72 2ww3 s HIS 327 N -3.33 -0.66 0.17 1.37 -3.43 0.03 -0.61 115.29 108.83 2ww3 s HIS 327 Ca 0.34 1.49 -0.31 0.00 -0.80 0.00 0.00 55.06 55.77 2ww3 s HIS 327 Cb 0.07 0.27 -0.10 0.00 -1.43 0.00 0.00 32.58 31.40 2ww3 s HIS 327 CO 0.15 -0.40 1.52 -0.47 -2.00 0.00 0.00 174.74 173.54 2ww3 s TYR 328 N -0.12 3.09 -0.45 0.38 5.04 -1.26 -1.65 117.35 122.38 2ww3 s TYR 328 Ca -0.03 0.73 -0.24 0.00 -2.44 0.00 0.00 57.07 55.08 2ww3 s TYR 328 Cb -0.03 -3.87 0.03 0.00 0.35 0.00 0.00 41.96 38.43 2ww3 s TYR 328 CO 0.03 -3.16 0.82 0.45 -1.34 0.00 0.00 175.55 172.35 2ww3 s SER 329 N 1.05 6.44 0.00 4.32 0.15 0.48 -4.89 113.70 121.25 2ww3 s SER 329 Ca 0.68 -0.02 0.15 0.00 0.70 0.00 0.00 55.95 57.45 2ww3 s SER 329 Cb -0.42 -2.40 0.87 0.00 -1.71 0.00 0.00 66.02 62.35 2ww3 s SER 329 CO 0.32 -0.94 1.29 -0.81 1.20 0.00 0.00 173.24 174.30 2ww3 n PRO 330 N 6.81 0.45 -0.10 5.44 -0.04 -1.26 -0.53 135.00 145.77 2ww3 n PRO 330 Ca 0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 2ww3 n PRO 330 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 2ww3 n PRO 330 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ww3 n TYR 331 N -1.01 0.00 -0.36 0.54 4.01 -1.26 -3.93 117.16 115.15 2ww3 n TYR 331 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 2ww3 n TYR 331 Cb 0.05 -0.80 0.00 0.00 -0.31 0.00 0.00 39.34 38.28 2ww3 n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2ww3 n ASN 332 N -3.07 0.60 0.00 7.72 0.23 -1.17 -4.83 115.26 114.73 2ww3 n ASN 332 Ca -0.36 -0.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 2ww3 n ASN 332 Cb 0.90 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.63 2ww3 n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww3 n GLY 333 N 0.03 0.55 3.96 4.83 0.00 0.31 -5.03 105.19 109.84 2ww3 n GLY 333 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2ww3 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww3 s GLN 334 N -0.17 2.37 -0.25 1.61 -0.21 -1.26 -4.76 119.66 116.99 2ww3 s GLN 334 Ca 0.00 -0.68 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 2ww3 s GLN 334 Cb 0.00 -2.39 -0.01 0.00 1.00 0.00 0.00 33.01 31.61 2ww3 s GLN 334 CO 0.00 -0.92 0.02 0.08 -2.12 0.00 0.00 175.29 172.35 2ww3 s VAL 335 N -2.92 3.78 0.11 1.09 1.01 -1.26 -0.39 120.40 121.81 2ww3 s VAL 335 Ca 0.59 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2ww3 s VAL 335 Cb -0.10 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2ww3 s VAL 335 CO 0.41 0.31 -0.10 -0.76 0.00 0.00 0.00 175.10 174.95 2ww3 s LEU 336 N 1.52 2.45 0.78 3.92 1.43 -0.66 -4.93 118.68 123.19 2ww3 s LEU 336 Ca 0.05 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 2ww3 s LEU 336 Cb -0.15 -0.31 0.06 0.00 0.03 0.00 0.00 46.19 45.82 2ww3 s LEU 336 CO 0.00 -0.29 1.08 -2.16 0.23 0.00 0.00 176.35 175.22 2ww3 s PRO 337 N -3.11 2.23 0.00 1.29 0.04 -1.26 -0.79 135.00 133.40 2ww3 s PRO 337 Ca 0.09 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2ww3 s PRO 337 Cb -0.01 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2ww3 s PRO 337 CO -0.00 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.84 2ww3 n GLY 338 N -1.54 1.31 3.82 0.56 0.00 0.72 -4.75 105.19 105.30 2ww3 n GLY 338 Ca 0.08 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 2ww3 n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ww3 s TYR 339 N -1.73 3.20 -0.25 1.61 2.02 -1.26 -4.01 117.35 116.93 2ww3 s TYR 339 Ca 0.00 1.49 -0.18 0.00 -0.37 0.00 0.00 57.07 58.01 2ww3 s TYR 339 Cb 0.00 -2.91 0.07 0.00 -0.40 0.00 0.00 41.96 38.72 2ww3 s TYR 339 CO 0.00 -0.78 0.63 1.41 -1.57 0.00 0.00 175.55 175.25 2ww3 s MET 340 N -4.07 0.68 0.17 -0.62 -2.45 -1.26 -4.07 119.30 107.67 2ww3 s MET 340 Ca 0.61 1.03 0.03 0.00 -1.25 0.00 0.00 55.69 56.12 2ww3 s MET 340 Cb -0.13 0.21 -0.05 0.00 1.25 0.00 0.00 34.83 36.11 2ww3 s MET 340 CO 0.34 -0.13 -0.05 -0.06 1.05 0.00 0.00 175.02 176.17 2ww3 s PHE 341 N 1.09 1.31 0.24 4.11 0.40 -1.26 0.30 117.98 124.17 2ww3 s PHE 341 Ca -0.06 -0.87 -0.17 0.00 -0.60 0.00 0.00 56.93 55.23 2ww3 s PHE 341 Cb -0.05 -0.71 0.06 0.00 0.51 0.00 0.00 43.02 42.83 2ww3 s PHE 341 CO -0.11 -0.03 0.85 -2.37 0.70 0.00 0.00 175.22 174.27 2ww3 n THR 342 N -0.25 0.00 -2.45 0.64 5.66 -0.74 -4.85 114.28 112.29 2ww3 n THR 342 Ca -0.08 -0.67 -0.08 0.00 -3.05 0.00 0.00 64.05 60.18 2ww3 n THR 342 Cb 0.62 0.78 0.04 0.00 -1.55 0.00 0.00 70.33 70.22 2ww3 n THR 342 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ww3 n ASP 343 N -1.33 -3.56 -3.66 1.09 8.00 -0.38 -0.80 116.55 115.91 2ww3 n ASP 343 Ca -0.04 -0.33 -0.15 0.00 0.71 0.00 0.00 54.79 54.98 2ww3 n ASP 343 Cb 0.53 -2.76 -0.08 0.00 -0.02 0.00 0.00 41.12 38.80 2ww3 n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ww3 s THR 344 N -3.18 0.03 -0.25 -3.53 -1.32 -1.13 -4.38 115.64 101.87 2ww3 s THR 344 Ca 0.15 -0.21 -0.02 0.00 -1.21 0.00 0.00 61.69 60.40 2ww3 s THR 344 Cb -0.02 -0.78 0.02 0.00 -1.51 0.00 0.00 72.50 70.21 2ww3 s THR 344 CO 0.36 -0.12 -0.05 -0.83 -2.21 0.00 0.00 174.62 171.77 2ww3 s GLY 345 N -1.01 1.64 0.51 6.08 0.00 -1.26 -2.24 107.32 111.04 2ww3 s GLY 345 Ca -0.10 -1.44 0.25 0.00 0.00 0.00 0.00 44.72 43.42 2ww3 s GLY 345 CO 0.06 0.53 2.06 0.74 0.00 0.00 0.00 173.10 176.48 2ww3 h PHE 346 N 8.04 0.00 -0.97 1.90 0.04 -1.40 0.65 116.94 125.20 2ww3 h PHE 346 Ca -0.33 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.57 2ww3 h PHE 346 Cb 1.11 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.18 2ww3 h PHE 346 CO 0.58 0.13 0.61 2.35 -0.60 0.00 0.00 178.31 181.39 2ww3 h TRP 347 N 0.00 1.03 0.03 -0.55 7.01 -1.83 -1.11 115.95 120.53 2ww3 h TRP 347 Ca -0.00 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2ww3 h TRP 347 Cb 0.33 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 2ww3 h TRP 347 CO 0.00 0.38 -0.01 -0.44 -2.79 0.00 0.00 178.44 175.58 2ww3 h ASP 348 N 0.87 -0.03 0.18 2.65 3.45 -1.32 -3.43 116.42 118.80 2ww3 h ASP 348 Ca 0.49 -0.54 0.00 0.00 0.43 0.00 0.00 57.03 57.40 2ww3 h ASP 348 Cb 0.60 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.38 2ww3 h ASP 348 CO -0.25 0.72 -0.25 0.35 -1.57 0.00 0.00 179.24 178.24 2ww3 n THR 349 N -4.72 0.00 0.22 0.35 -2.24 -0.37 -3.45 114.28 104.06 2ww3 n THR 349 Ca -0.06 -0.16 0.08 0.00 -2.27 0.00 0.00 64.05 61.64 2ww3 n THR 349 Cb 0.28 0.52 0.49 0.00 -2.10 0.00 0.00 70.33 69.52 2ww3 n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2ww3 h PHE 350 N 1.52 0.00 0.35 4.78 -0.00 -1.47 -2.41 116.94 119.71 2ww3 h PHE 350 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 2ww3 h PHE 350 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.49 2ww3 h PHE 350 CO 0.00 0.26 -0.17 0.00 -0.00 0.00 0.00 178.31 178.40 2ww3 h ARG 351 N 0.00 -0.45 0.00 6.09 3.08 -1.80 -3.42 114.38 117.87 2ww3 h ARG 351 Ca -0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2ww3 h ARG 351 Cb 0.64 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2ww3 h ARG 351 CO 0.03 -0.22 0.00 0.00 -1.07 0.00 0.00 179.97 178.71 2ww3 h LEU 353 N 0.00 -0.40 -0.64 0.00 7.12 -1.80 -0.64 115.31 118.94 2ww3 h LEU 353 Ca 0.00 -0.09 -0.12 0.00 0.13 0.00 0.00 57.88 57.79 2ww3 h LEU 353 Cb 0.00 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 2ww3 h LEU 353 CO 0.00 -0.14 -0.27 -0.26 -0.13 0.00 0.00 178.44 177.64 2ww3 h PHE 354 N -0.66 0.89 -0.79 1.25 0.04 -1.71 -2.20 116.94 113.76 2ww3 h PHE 354 Ca -0.05 -0.22 0.11 0.00 2.80 0.00 0.00 57.97 60.62 2ww3 h PHE 354 Cb 0.47 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.36 2ww3 h PHE 354 CO -0.01 0.96 0.52 -1.35 -0.60 0.00 0.00 178.31 177.83 2ww3 h PRO 355 N 0.67 0.63 -0.65 1.51 0.11 -1.80 -0.68 132.00 131.79 2ww3 h PRO 355 Ca 0.08 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 2ww3 h PRO 355 Cb 0.79 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 2ww3 h PRO 355 CO 0.07 0.42 0.17 1.25 -0.21 0.00 0.00 178.00 179.69 2ww3 h LEU 356 N 0.65 0.98 -0.72 2.35 5.85 -0.48 -2.04 115.31 121.91 2ww3 h LEU 356 Ca 0.38 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2ww3 h LEU 356 Cb 0.57 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2ww3 h LEU 356 CO -0.15 0.95 0.39 -0.07 -0.34 0.00 0.00 178.44 179.23 2ww3 h LEU 357 N 0.96 0.90 -2.07 2.25 3.38 -1.03 0.19 115.31 119.89 2ww3 h LEU 357 Ca 0.21 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2ww3 h LEU 357 Cb 0.35 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2ww3 h LEU 357 CO 0.00 0.73 -0.07 0.78 0.09 0.00 0.00 178.44 179.98 2ww3 h ASN 358 N 0.99 0.00 0.00 -0.43 -0.26 -0.79 0.33 115.58 115.41 2ww3 h ASN 358 Ca 0.25 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.97 2ww3 h ASN 358 Cb 0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.29 2ww3 h ASN 358 CO -0.04 0.07 -0.18 0.25 -1.06 0.00 0.00 177.43 176.46 2ww3 h LEU 359 N 0.00 0.00 0.00 1.61 5.85 -0.64 -3.40 115.31 118.73 2ww3 h LEU 359 Ca -0.00 -0.41 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 2ww3 h LEU 359 Cb 0.14 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2ww3 h LEU 359 CO 0.01 0.81 -2.11 0.23 -0.34 0.00 0.00 178.44 177.04 2ww3 n MET 360 N -4.67 0.67 -3.05 1.25 2.81 0.60 -4.68 117.12 110.05 2ww3 n MET 360 Ca -0.08 -0.15 -0.16 0.00 -1.81 0.00 0.00 57.70 55.51 2ww3 n MET 360 Cb 0.27 -1.52 -0.01 0.00 -0.71 0.00 0.00 33.22 31.24 2ww3 n MET 360 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ww3 n TYR 361 N -2.39 0.52 -0.05 2.03 4.01 0.10 -4.55 117.16 116.83 2ww3 n TYR 361 Ca -0.12 -3.56 -0.03 0.00 -0.16 0.00 0.00 57.90 54.03 2ww3 n TYR 361 Cb 0.73 -0.41 0.21 0.00 -0.31 0.00 0.00 39.34 39.56 2ww3 n TYR 361 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ww3 h PRO 362 N 3.00 0.65 -0.31 -0.72 0.13 -1.48 -1.34 132.00 131.92 2ww3 h PRO 362 Ca 0.05 -0.18 0.09 0.00 -0.87 0.00 0.00 66.00 65.09 2ww3 h PRO 362 Cb 1.01 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2ww3 h PRO 362 CO 0.51 0.71 0.22 0.66 -0.23 0.00 0.00 178.00 179.87 2ww3 h SER 363 N 0.60 0.00 0.02 1.44 4.64 -1.92 0.80 113.55 119.12 2ww3 h SER 363 Ca 0.11 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.35 2ww3 h SER 363 Cb 0.48 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2ww3 h SER 363 CO 0.02 0.00 -0.36 0.58 -0.87 0.00 0.00 176.83 176.21 2ww3 h VAL 364 N 0.00 1.55 0.00 0.95 2.07 -1.60 -3.18 116.25 116.04 2ww3 h VAL 364 Ca 0.15 -2.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 2ww3 h VAL 364 Cb 0.59 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2ww3 h VAL 364 CO -0.00 0.58 -0.05 -1.13 0.02 0.00 0.00 177.57 176.99 2ww3 h ASN 365 N -0.47 0.00 -0.25 0.57 -1.24 -1.17 -1.75 115.58 111.28 2ww3 h ASN 365 Ca -0.05 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.02 2ww3 h ASN 365 Cb 1.14 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.12 2ww3 h ASN 365 CO 0.07 0.05 -0.20 0.50 -1.29 0.00 0.00 177.43 176.55 2ww3 h LYS 366 N 0.00 -0.19 -0.33 6.67 1.63 -0.84 0.68 116.57 124.19 2ww3 h LYS 366 Ca -0.00 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.85 2ww3 h LYS 366 Cb 0.09 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 2ww3 h LYS 366 CO 0.01 -0.13 0.11 0.93 -3.45 0.00 0.00 179.45 176.92 2ww3 h GLU 367 N -0.20 0.24 -0.92 1.90 5.08 -1.34 -2.10 114.58 117.23 2ww3 h GLU 367 Ca 0.14 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2ww3 h GLU 367 Cb 0.41 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 2ww3 h GLU 367 CO -0.37 0.16 0.61 0.52 -1.00 0.00 0.00 179.01 178.93 2ww3 h MET 368 N 0.25 1.18 -0.52 2.33 2.86 -0.69 0.36 114.93 120.70 2ww3 h MET 368 Ca 0.15 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 2ww3 h MET 368 Cb 0.13 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 2ww3 h MET 368 CO -0.16 0.78 -0.15 1.96 1.06 0.00 0.00 176.91 180.41 2ww3 h GLN 369 N 1.22 1.00 -0.80 1.72 1.08 0.75 -0.89 115.11 119.19 2ww3 h GLN 369 Ca 0.35 -0.39 0.07 0.00 -1.45 0.00 0.00 58.65 57.23 2ww3 h GLN 369 Cb -0.09 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.22 2ww3 h GLN 369 CO -0.09 1.07 0.48 0.93 -0.95 0.00 0.00 178.83 180.26 2ww3 h GLU 370 N 0.88 0.83 -0.73 1.46 4.39 -0.77 0.02 114.58 120.66 2ww3 h GLU 370 Ca 0.13 -0.05 0.15 0.00 0.34 0.00 0.00 59.36 59.93 2ww3 h GLU 370 Cb 0.71 -0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.07 2ww3 h GLU 370 CO 0.05 0.55 0.22 0.78 -1.16 0.00 0.00 179.01 179.46 2ww3 h GLY 371 N 0.86 1.05 1.09 -3.84 0.00 0.08 -2.01 103.07 100.31 2ww3 h GLY 371 Ca 0.36 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.49 2ww3 h GLY 371 CO -0.19 -0.16 -0.18 1.41 0.00 0.00 0.00 176.54 177.41 2ww3 h LEU 372 N 0.33 1.00 -0.13 3.11 3.38 0.30 0.70 115.31 124.00 2ww3 h LEU 372 Ca 0.41 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2ww3 h LEU 372 Cb 0.67 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2ww3 h LEU 372 CO -0.47 1.16 -0.19 0.40 0.09 0.00 0.00 178.44 179.43 2ww3 h ILE 373 N 0.84 0.51 -0.88 1.22 1.08 -0.93 -1.60 117.51 117.74 2ww3 h ILE 373 Ca 0.12 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.64 2ww3 h ILE 373 Cb 0.76 0.51 -0.06 0.00 -3.07 0.00 0.00 36.82 34.96 2ww3 h ILE 373 CO 0.06 0.00 0.56 0.78 -0.69 0.00 0.00 178.15 178.86 2ww3 h ASN 374 N -0.25 0.89 -0.77 1.72 -0.26 -0.95 -0.46 115.58 115.51 2ww3 h ASN 374 Ca 0.10 0.01 0.12 0.00 -0.56 0.00 0.00 56.30 55.96 2ww3 h ASN 374 Cb 0.39 -0.18 -0.08 0.00 -1.06 0.00 0.00 38.32 37.38 2ww3 h ASN 374 CO -0.27 0.59 0.38 0.74 -1.06 0.00 0.00 177.43 177.80 2ww3 h THR 375 N 1.04 0.78 -0.27 2.81 2.02 -0.28 0.22 112.91 119.22 2ww3 h THR 375 Ca 0.37 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 2ww3 h THR 375 Cb 0.11 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2ww3 h THR 375 CO -0.15 0.11 -0.00 0.22 0.37 0.00 0.00 175.52 176.06 2ww3 h TYR 376 N 0.59 0.53 -0.33 3.16 3.20 -0.31 -0.64 116.97 123.16 2ww3 h TYR 376 Ca 0.40 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 2ww3 h TYR 376 Cb 0.50 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2ww3 h TYR 376 CO -0.11 0.64 0.14 -0.07 -1.64 0.00 0.00 178.16 177.12 2ww3 h LEU 377 N 0.26 0.41 0.00 2.82 3.38 -0.60 0.50 115.31 122.09 2ww3 h LEU 377 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ww3 h LEU 377 Cb 0.43 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2ww3 h LEU 377 CO 0.01 0.38 -1.04 -0.62 0.09 0.00 0.00 178.44 177.26 2ww3 n GLU 378 N -4.41 0.60 0.00 1.13 1.02 0.71 -4.43 120.64 115.25 2ww3 n GLU 378 Ca 0.02 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2ww3 n GLU 378 Cb 0.13 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 2ww3 n GLU 378 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2ww3 n SER 379 N -2.64 0.44 0.00 1.62 3.41 -0.27 -4.35 113.62 111.83 2ww3 n SER 379 Ca -0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2ww3 n SER 379 Cb 0.55 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 2ww3 n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww3 n GLY 380 N 0.73 1.48 3.10 5.00 0.00 0.17 -5.01 105.19 110.66 2ww3 n GLY 380 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2ww3 n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww3 s PHE 381 N -3.62 0.76 0.57 1.61 0.40 -1.25 -4.96 117.98 111.50 2ww3 s PHE 381 Ca 0.00 -0.65 -0.17 0.00 -0.60 0.00 0.00 56.93 55.51 2ww3 s PHE 381 Cb 0.00 -0.45 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 2ww3 s PHE 381 CO 0.00 -0.11 1.08 -0.06 0.70 0.00 0.00 175.22 176.83 2ww3 s PHE 382 N -2.17 2.85 0.66 0.36 0.08 -1.26 -3.46 117.98 115.04 2ww3 s PHE 382 Ca -0.02 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.46 2ww3 s PHE 382 Cb -0.05 -3.11 -0.02 0.00 -0.57 0.00 0.00 43.02 39.28 2ww3 s PHE 382 CO -0.01 -1.27 1.06 -1.25 -0.10 0.00 0.00 175.22 173.64 2ww3 s PRO 383 N -3.74 3.27 0.01 0.24 0.04 -1.26 -4.56 135.00 129.00 2ww3 s PRO 383 Ca 0.67 0.65 -0.00 0.00 0.04 0.00 0.00 61.00 62.36 2ww3 s PRO 383 Cb -0.19 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 2ww3 s PRO 383 CO 0.32 -0.78 -0.00 0.39 0.04 0.00 0.00 177.00 176.97 2ww3 n GLU 384 N -2.87 0.00 -4.04 4.56 -0.58 -1.26 -4.53 120.64 111.92 2ww3 n GLU 384 Ca 0.06 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.46 2ww3 n GLU 384 Cb 0.55 -0.10 -0.11 0.00 -0.57 0.00 0.00 31.44 31.22 2ww3 n GLU 384 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2ww3 s TRP 385 N -1.15 3.18 -0.04 -0.32 -0.00 -1.26 -0.92 118.94 118.43 2ww3 s TRP 385 Ca -0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 56.10 56.04 2ww3 s TRP 385 Cb 0.00 -2.09 0.01 0.00 -0.00 0.00 0.00 33.47 31.39 2ww3 s TRP 385 CO 0.00 0.03 -0.09 0.00 -0.00 0.00 0.00 176.95 176.89 2ww3 s ALA 386 N 0.60 0.94 -0.35 5.86 0.00 -0.95 -1.50 121.76 126.35 2ww3 s ALA 386 Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 2ww3 s ALA 386 Cb -0.13 -0.42 0.19 0.00 0.00 0.00 0.00 23.12 22.76 2ww3 s ALA 386 CO 0.02 0.10 0.96 0.45 0.00 0.00 0.00 175.76 177.28 2ww3 s SER 387 N 0.50 -0.61 0.19 0.00 0.15 -1.26 -1.24 113.70 111.44 2ww3 s SER 387 Ca -0.09 -0.37 0.24 0.00 0.70 0.00 0.00 55.95 56.43 2ww3 s SER 387 Cb -0.12 0.78 0.26 0.00 -1.71 0.00 0.00 66.02 65.23 2ww3 s SER 387 CO 0.01 -0.06 1.30 1.55 1.20 0.00 0.00 173.24 177.24 2ww3 h PRO 388 N 5.58 0.00 0.00 5.44 0.13 -1.76 -3.43 132.00 137.96 2ww3 h PRO 388 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2ww3 h PRO 388 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ww3 h PRO 388 CO -0.04 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.14 2ww3 n GLY 389 N 1.25 1.71 3.69 1.56 0.00 0.13 -4.76 105.19 108.78 2ww3 n GLY 389 Ca 0.02 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 2ww3 n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ww3 s HIS 390 N 1.23 2.38 0.10 1.61 3.76 -1.26 -4.26 115.29 118.85 2ww3 s HIS 390 Ca 0.00 0.29 0.10 0.00 -0.15 0.00 0.00 55.06 55.29 2ww3 s HIS 390 Cb 0.00 -3.98 -0.03 0.00 1.11 0.00 0.00 32.58 29.68 2ww3 s HIS 390 CO 0.00 -3.95 -0.25 1.03 -0.85 0.00 0.00 174.74 170.72 2ww3 s ARG 391 N 2.69 1.42 -0.53 1.40 1.81 -0.56 -4.38 118.95 120.79 2ww3 s ARG 391 Ca 0.74 -1.21 -0.23 0.00 -1.72 0.00 0.00 55.73 53.31 2ww3 s ARG 391 Cb -0.40 -1.76 0.04 0.00 -0.45 0.00 0.00 34.95 32.38 2ww3 s ARG 391 CO 0.33 0.43 0.85 0.20 -0.68 0.00 0.00 175.30 176.43 2ww3 s GLY 392 N -1.76 1.51 -0.29 -3.53 0.00 -1.26 -4.49 107.32 97.50 2ww3 s GLY 392 Ca 0.11 -1.31 -0.20 0.00 0.00 0.00 0.00 44.72 43.32 2ww3 s GLY 392 CO 0.04 1.89 1.07 0.00 0.00 0.00 0.00 173.10 176.11 2ww3 n MET 394 N 2.93 0.00 -4.21 0.00 2.81 -1.26 -4.67 117.12 112.73 2ww3 n MET 394 Ca -0.16 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.55 2ww3 n MET 394 Cb 0.57 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.02 2ww3 n MET 394 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ww3 s VAL 395 N 0.00 0.00 0.00 2.03 -7.23 -1.26 -4.67 120.40 109.27 2ww3 s VAL 395 Ca 0.00 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2ww3 s VAL 395 Cb 0.00 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2ww3 s VAL 395 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2ww3 n GLY 396 N -0.62 -0.01 2.51 2.32 0.00 -1.26 -4.66 105.19 103.46 2ww3 n GLY 396 Ca 0.05 -1.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 2ww3 n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ww3 n ASN 397 N -0.53 3.29 0.04 1.61 4.05 -1.26 -4.83 115.26 117.63 2ww3 n ASN 397 Ca 0.00 -3.19 0.11 0.00 0.45 0.00 0.00 54.58 51.95 2ww3 n ASN 397 Cb 0.00 -0.47 0.44 0.00 1.23 0.00 0.00 39.78 40.99 2ww3 n ASN 397 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2ww3 n ASN 398 N -0.39 0.23 -0.32 1.20 5.03 -1.26 -2.23 115.26 117.52 2ww3 n ASN 398 Ca 0.26 0.54 0.34 0.00 0.87 0.00 0.00 54.58 56.59 2ww3 n ASN 398 Cb 0.77 -0.60 0.73 0.00 -1.02 0.00 0.00 39.78 39.66 2ww3 n ASN 398 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2ww3 h SER 399 N 0.00 0.05 -0.38 6.41 4.64 -1.91 -1.09 113.55 121.28 2ww3 h SER 399 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2ww3 h SER 399 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2ww3 h SER 399 CO 0.00 0.01 0.12 0.00 -0.87 0.00 0.00 176.83 176.08 2ww3 h ALA 400 N 1.43 0.50 -0.00 5.18 0.00 -1.81 0.46 119.26 125.01 2ww3 h ALA 400 Ca 0.57 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.34 2ww3 h ALA 400 Cb 2.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2ww3 h ALA 400 CO -0.04 0.14 -0.16 1.03 0.00 0.00 0.00 179.25 180.22 2ww3 h SER 401 N 0.46 -0.46 -0.21 0.00 0.87 -1.44 -1.18 113.55 111.59 2ww3 h SER 401 Ca 0.12 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.81 2ww3 h SER 401 Cb 0.26 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 2ww3 h SER 401 CO -0.00 -0.22 -0.24 0.40 -0.53 0.00 0.00 176.83 176.24 2ww3 h ILE 402 N -0.26 0.40 -0.25 2.23 1.08 -1.10 0.69 117.51 120.30 2ww3 h ILE 402 Ca 0.05 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.48 2ww3 h ILE 402 Cb 0.33 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 2ww3 h ILE 402 CO -0.15 0.00 0.00 -0.07 -0.69 0.00 0.00 178.15 177.24 2ww3 h LEU 403 N -0.26 0.43 -0.23 1.44 3.38 -0.80 -2.86 115.31 116.40 2ww3 h LEU 403 Ca 0.13 -0.30 -0.21 0.00 0.09 0.00 0.00 57.88 57.58 2ww3 h LEU 403 Cb 0.46 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ww3 h LEU 403 CO -0.36 0.63 -0.81 0.58 0.09 0.00 0.00 178.44 178.57 2ww3 h VAL 404 N 0.22 1.33 -0.98 1.22 2.07 -1.15 -2.28 116.25 116.68 2ww3 h VAL 404 Ca 0.07 -2.12 0.03 0.00 0.82 0.00 0.00 66.70 65.50 2ww3 h VAL 404 Cb 0.41 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2ww3 h VAL 404 CO 0.01 0.65 0.64 -0.78 0.02 0.00 0.00 177.57 178.12 2ww3 h ASP 405 N 0.40 1.09 0.36 0.57 3.58 -0.87 -0.60 116.42 120.95 2ww3 h ASP 405 Ca -0.06 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 2ww3 h ASP 405 Cb 1.42 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2ww3 h ASP 405 CO 0.15 0.76 -0.17 0.00 -2.88 0.00 0.00 179.24 177.10 2ww3 h ALA 406 N 1.41 -0.48 -0.54 -0.78 0.00 -1.38 -2.15 119.26 115.34 2ww3 h ALA 406 Ca 0.38 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2ww3 h ALA 406 Cb -0.06 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 2ww3 h ALA 406 CO -0.10 -0.61 0.12 -0.92 0.00 0.00 0.00 179.25 177.74 2ww3 h TYR 407 N -0.80 0.20 0.00 0.00 5.03 -1.05 0.13 116.97 120.48 2ww3 h TYR 407 Ca -0.05 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2ww3 h TYR 407 Cb 0.52 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.80 2ww3 h TYR 407 CO 0.02 0.00 0.00 0.52 -1.32 0.00 0.00 178.16 177.38 2ww3 h MET 408 N 0.26 0.00 -0.69 1.82 2.86 -1.13 -2.42 114.93 115.64 2ww3 h MET 408 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2ww3 h MET 408 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2ww3 h MET 408 CO -0.34 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.26 2ww3 n LYS 409 N -3.07 3.11 -0.23 1.72 5.02 -0.43 -4.92 118.16 119.36 2ww3 n LYS 409 Ca 0.00 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.63 2ww3 n LYS 409 Cb 0.28 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 2ww3 n LYS 409 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww3 n GLY 410 N 1.40 0.81 3.31 0.72 0.00 -0.83 -5.01 105.19 105.60 2ww3 n GLY 410 Ca 0.24 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.80 2ww3 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww3 s VAL 411 N -2.13 5.41 -0.19 1.61 1.01 0.32 -4.99 120.40 121.46 2ww3 s VAL 411 Ca 0.00 -2.36 -0.05 0.00 0.00 0.00 0.00 61.98 59.57 2ww3 s VAL 411 Cb 0.00 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2ww3 s VAL 411 CO 0.00 -0.99 -0.01 -0.54 0.00 0.00 0.00 175.10 173.56 2ww3 s LYS 412 N 0.36 3.62 0.86 2.72 1.02 -1.26 -2.41 119.74 124.65 2ww3 s LYS 412 Ca 0.16 -0.53 -0.11 0.00 0.02 0.00 0.00 55.97 55.51 2ww3 s LYS 412 Cb -0.14 -3.04 0.11 0.00 -0.52 0.00 0.00 37.83 34.24 2ww3 s LYS 412 CO -0.07 0.06 1.09 0.14 -0.92 0.00 0.00 175.35 175.65 2ww3 s VAL 413 N 0.87 2.82 0.08 3.17 -7.23 -1.26 -4.98 120.40 113.87 2ww3 s VAL 413 Ca 0.00 0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 60.31 2ww3 s VAL 413 Cb -0.14 -2.83 -0.23 0.00 0.56 0.00 0.00 36.38 33.74 2ww3 s VAL 413 CO 0.02 -0.35 1.20 0.44 -0.31 0.00 0.00 175.10 176.10 2ww3 h ASP 414 N -1.38 0.88 -3.10 4.85 3.32 -1.98 -3.36 116.42 115.65 2ww3 h ASP 414 Ca -0.48 -0.71 -0.80 0.00 0.02 0.00 0.00 57.03 55.06 2ww3 h ASP 414 Cb 1.28 -0.27 -0.28 0.00 0.22 0.00 0.00 39.33 40.27 2ww3 h ASP 414 CO 0.56 1.51 0.66 -0.67 -1.72 0.00 0.00 179.24 179.58 2ww3 n ASP 415 N -3.84 6.10 0.16 6.45 -0.08 -1.26 -4.82 116.55 119.26 2ww3 n ASP 415 Ca -0.11 -3.30 0.12 0.00 -1.51 0.00 0.00 54.79 49.99 2ww3 n ASP 415 Cb 0.88 -1.29 0.57 0.00 2.34 0.00 0.00 41.12 43.62 2ww3 n ASP 415 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2ww3 h ILE 416 N 3.49 0.00 0.01 5.18 2.10 -1.99 -2.50 117.51 123.79 2ww3 h ILE 416 Ca 0.19 -0.16 -0.16 0.00 1.08 0.00 0.00 64.86 65.81 2ww3 h ILE 416 Cb 0.69 0.83 0.01 0.00 -1.09 0.00 0.00 36.82 37.26 2ww3 h ILE 416 CO 1.23 0.00 -0.63 0.50 -1.08 0.00 0.00 178.15 178.17 2ww3 h LYS 417 N 0.00 0.41 -0.29 2.19 3.64 -1.96 -3.01 116.57 117.56 2ww3 h LYS 417 Ca 0.00 -0.46 -0.06 0.00 -1.27 0.00 0.00 60.65 58.86 2ww3 h LYS 417 Cb 0.23 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2ww3 h LYS 417 CO 0.00 1.12 -0.10 1.15 -2.27 0.00 0.00 179.45 179.35 2ww3 h THR 418 N -0.10 1.22 0.46 1.00 2.02 -1.91 -2.45 112.91 113.16 2ww3 h THR 418 Ca -0.08 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 2ww3 h THR 418 Cb 1.35 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2ww3 h THR 418 CO 0.12 0.31 -0.29 0.25 0.37 0.00 0.00 175.52 176.29 2ww3 h LEU 419 N 0.44 -0.72 -0.33 2.58 5.85 -1.49 -0.87 115.31 120.78 2ww3 h LEU 419 Ca 0.09 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.88 2ww3 h LEU 419 Cb 0.44 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2ww3 h LEU 419 CO 0.02 -0.45 0.15 0.22 -0.34 0.00 0.00 178.44 178.04 2ww3 h TYR 420 N -0.72 0.28 -0.96 1.25 3.20 -1.42 -2.15 116.97 116.45 2ww3 h TYR 420 Ca -0.05 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.90 2ww3 h TYR 420 Cb 0.59 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 2ww3 h TYR 420 CO -0.10 0.14 0.62 0.93 -1.64 0.00 0.00 178.16 178.12 2ww3 h GLU 421 N 0.32 1.07 -0.73 1.82 5.08 -1.36 -0.22 114.58 120.56 2ww3 h GLU 421 Ca 0.14 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2ww3 h GLU 421 Cb 0.07 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2ww3 h GLU 421 CO -0.11 0.71 0.30 0.78 -1.00 0.00 0.00 179.01 179.69 2ww3 h GLY 422 N 1.10 1.16 0.91 -3.84 0.00 -0.54 0.19 103.07 102.05 2ww3 h GLY 422 Ca 0.42 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2ww3 h GLY 422 CO -0.16 0.59 -0.28 1.41 0.00 0.00 0.00 176.54 178.10 2ww3 h LEU 423 N 1.04 -0.65 -0.53 3.11 3.38 -0.67 0.27 115.31 121.25 2ww3 h LEU 423 Ca 0.24 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.29 2ww3 h LEU 423 Cb 0.20 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 2ww3 h LEU 423 CO -0.02 -0.39 0.09 0.40 0.09 0.00 0.00 178.44 178.60 2ww3 h ILE 424 N -0.88 0.67 -0.68 1.22 1.08 -0.98 -0.07 117.51 117.87 2ww3 h ILE 424 Ca -0.08 -0.07 0.13 0.00 -0.39 0.00 0.00 64.86 64.45 2ww3 h ILE 424 Cb 0.63 0.43 -0.10 0.00 -3.07 0.00 0.00 36.82 34.71 2ww3 h ILE 424 CO 0.13 0.04 0.18 -0.74 -0.69 0.00 0.00 178.15 177.07 2ww3 h HIS 425 N 0.22 0.28 0.00 1.37 2.76 -0.34 -0.52 115.15 118.92 2ww3 h HIS 425 Ca 0.27 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 2ww3 h HIS 425 Cb 0.39 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.33 2ww3 h HIS 425 CO -0.25 -0.03 -0.05 0.78 -1.30 0.00 0.00 177.93 177.08 2ww3 h GLY 426 N 0.30 0.00 1.64 5.26 0.00 0.97 -2.29 103.07 108.95 2ww3 h GLY 426 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2ww3 h GLY 426 CO -0.44 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.80 2ww3 n THR 427 N -4.20 0.20 -2.59 4.70 -2.24 -0.21 -3.56 114.28 106.38 2ww3 n THR 427 Ca -0.03 0.05 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 2ww3 n THR 427 Cb 0.13 -0.63 0.03 0.00 -2.10 0.00 0.00 70.33 67.76 2ww3 n THR 427 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2ww3 n GLU 428 N -1.32 0.64 -3.59 -0.78 0.28 -0.87 -4.91 120.64 110.09 2ww3 n GLU 428 Ca 0.11 -2.42 -0.16 0.00 -0.16 0.00 0.00 57.16 54.53 2ww3 n GLU 428 Cb 0.22 -0.50 -0.07 0.00 1.43 0.00 0.00 31.44 32.52 2ww3 n GLU 428 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2ww3 s ASN 429 N -2.52 -0.65 0.02 -1.84 0.01 -1.20 -5.06 114.94 103.71 2ww3 s ASN 429 Ca 0.29 0.94 0.06 0.00 -0.71 0.00 0.00 52.86 53.44 2ww3 s ASN 429 Cb 0.34 0.87 -0.02 0.00 0.41 0.00 0.00 41.25 42.85 2ww3 s ASN 429 CO -0.11 -0.45 -0.18 0.54 -1.51 0.00 0.00 177.10 175.39 2ww3 s VAL 430 N -0.57 1.44 0.33 1.60 0.11 -1.26 -1.56 120.40 120.49 2ww3 s VAL 430 Ca -0.07 -0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 57.72 2ww3 s VAL 430 Cb -0.02 -1.24 -0.10 0.00 -1.53 0.00 0.00 36.38 33.48 2ww3 s VAL 430 CO 0.06 0.24 1.36 -2.28 -3.33 0.00 0.00 175.10 171.14 2ww3 s HIS 431 N -0.66 2.95 0.36 1.54 2.46 0.37 -4.91 115.29 117.40 2ww3 s HIS 431 Ca 0.06 1.33 0.27 0.00 0.47 0.00 0.00 55.06 57.19 2ww3 s HIS 431 Cb -0.08 -3.77 1.35 0.00 -0.13 0.00 0.00 32.58 29.96 2ww3 s HIS 431 CO 0.01 -2.17 2.02 -1.00 -2.47 0.00 0.00 174.74 171.13 2ww3 h PRO 432 N 3.44 0.00 0.00 2.88 0.13 -2.00 -3.24 132.00 133.21 2ww3 h PRO 432 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ww3 h PRO 432 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ww3 h PRO 432 CO 0.66 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 2ww3 n GLU 433 N -3.58 2.45 -3.91 0.86 0.00 -1.26 -4.95 120.64 110.26 2ww3 n GLU 433 Ca -0.01 -0.19 -0.31 0.00 0.00 0.00 0.00 57.16 56.65 2ww3 n GLU 433 Cb 0.28 -0.64 -0.15 0.00 0.00 0.00 0.00 31.44 30.93 2ww3 n GLU 433 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2ww3 s VAL 434 N -0.41 1.71 -0.83 3.84 1.01 -1.22 -4.96 120.40 119.54 2ww3 s VAL 434 Ca 0.00 -1.89 0.26 0.00 0.00 0.00 0.00 61.98 60.35 2ww3 s VAL 434 Cb 0.00 -2.23 0.26 0.00 0.00 0.00 0.00 36.38 34.40 2ww3 s VAL 434 CO 0.00 -0.57 1.81 -1.54 0.00 0.00 0.00 175.10 174.80 2ww3 n SER 435 N 4.51 0.44 -0.34 3.32 3.41 -1.26 -1.99 113.62 121.71 2ww3 n SER 435 Ca -0.00 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 2ww3 n SER 435 Cb 0.42 -0.67 0.63 0.00 -0.26 0.00 0.00 64.21 64.34 2ww3 n SER 435 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ww3 n SER 436 N -1.92 1.05 -4.49 4.04 3.41 -1.26 -3.98 113.62 110.47 2ww3 n SER 436 Ca 0.06 -1.37 -0.35 0.00 -0.26 0.00 0.00 58.87 56.95 2ww3 n SER 436 Cb 0.36 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 2ww3 n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ww3 s THR 437 N -1.99 4.12 0.00 6.66 2.01 -0.84 -4.61 115.64 120.98 2ww3 s THR 437 Ca 0.40 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2ww3 s THR 437 Cb 0.21 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.86 2ww3 s THR 437 CO 0.34 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 2ww3 n GLY 438 N 4.02 -1.53 3.08 4.40 0.00 -1.26 -0.47 105.19 113.43 2ww3 n GLY 438 Ca -0.17 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 2ww3 n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww3 s ARG 439 N 0.00 1.84 0.26 1.61 0.52 -0.60 -4.77 118.95 117.81 2ww3 s ARG 439 Ca 0.00 -1.79 -0.30 0.00 -0.52 0.00 0.00 55.73 53.12 2ww3 s ARG 439 Cb 0.00 -3.39 -0.11 0.00 0.52 0.00 0.00 34.95 31.97 2ww3 s ARG 439 CO 0.00 -0.97 1.56 -1.17 0.02 0.00 0.00 175.30 174.74 2ww3 s LEU 440 N 1.05 4.36 0.00 2.53 2.96 -1.26 -2.34 118.68 125.99 2ww3 s LEU 440 Ca 0.08 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.83 2ww3 s LEU 440 Cb -0.21 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.85 2ww3 s LEU 440 CO -0.05 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 174.73 2ww3 n GLY 441 N 2.46 0.48 0.34 7.98 0.00 -1.26 -4.91 105.19 110.27 2ww3 n GLY 441 Ca 0.09 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.83 2ww3 n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ww3 h TYR 442 N 0.00 0.21 -0.09 1.61 -0.00 -1.82 -1.64 116.97 115.25 2ww3 h TYR 442 Ca 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 58.73 58.75 2ww3 h TYR 442 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 36.73 36.64 2ww3 h TYR 442 CO 0.00 0.11 -0.19 0.93 -0.00 0.00 0.00 178.16 179.01 2ww3 h GLU 443 N 0.21 -0.16 -0.69 0.10 3.07 -1.91 -0.54 114.58 114.66 2ww3 h GLU 443 Ca 0.20 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2ww3 h GLU 443 Cb 0.51 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 2ww3 h GLU 443 CO -0.03 -0.11 0.37 1.88 -1.40 0.00 0.00 179.01 179.72 2ww3 h TYR 444 N -0.17 0.93 -0.14 4.33 0.05 -1.77 -3.06 116.97 117.14 2ww3 h TYR 444 Ca 0.02 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2ww3 h TYR 444 Cb 0.22 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2ww3 h TYR 444 CO -0.56 0.65 0.01 -0.92 -1.05 0.00 0.00 178.16 176.29 2ww3 h TYR 445 N 0.96 0.26 -0.36 4.88 3.20 -0.69 0.53 116.97 125.75 2ww3 h TYR 445 Ca 0.24 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2ww3 h TYR 445 Cb 0.03 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2ww3 h TYR 445 CO 0.01 0.45 0.01 -0.91 -1.64 0.00 0.00 178.16 176.08 2ww3 h ASN 446 N 0.00 0.53 0.18 -2.11 -0.26 -1.15 0.22 115.58 112.99 2ww3 h ASN 446 Ca 0.04 -0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 2ww3 h ASN 446 Cb 0.34 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 2ww3 h ASN 446 CO 0.01 0.59 -0.09 0.50 -1.06 0.00 0.00 177.43 177.37 2ww3 h LYS 447 N 0.54 -0.24 0.00 0.81 3.64 -1.37 -3.41 116.57 116.55 2ww3 h LYS 447 Ca 0.12 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2ww3 h LYS 447 Cb 0.33 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2ww3 h LYS 447 CO 0.01 0.11 -2.05 1.28 -2.27 0.00 0.00 179.45 176.53 2ww3 n LEU 448 N -4.93 0.03 0.00 5.20 4.77 0.18 -4.99 117.00 117.26 2ww3 n LEU 448 Ca -0.06 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2ww3 n LEU 448 Cb 0.23 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2ww3 n LEU 448 CO 0.20 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2ww3 n GLY 449 N 1.36 0.78 3.52 -0.72 0.00 0.76 -5.03 105.19 105.85 2ww3 n GLY 449 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2ww3 n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww3 s TYR 450 N -2.22 -0.46 -0.31 1.61 1.13 -1.24 -4.77 117.35 111.09 2ww3 s TYR 450 Ca 0.00 0.58 -0.26 0.00 -1.41 0.00 0.00 57.07 55.98 2ww3 s TYR 450 Cb 0.00 0.48 0.01 0.00 -1.10 0.00 0.00 41.96 41.35 2ww3 s TYR 450 CO 0.00 -0.55 0.92 0.08 -2.51 0.00 0.00 175.55 173.49 2ww3 s VAL 451 N -2.16 4.68 0.92 -3.49 1.01 -1.26 -3.85 120.40 116.24 2ww3 s VAL 451 Ca -0.02 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 2ww3 s VAL 451 Cb -0.01 -4.26 0.15 0.00 0.00 0.00 0.00 36.38 32.26 2ww3 s VAL 451 CO -0.02 -0.33 1.09 -2.84 0.00 0.00 0.00 175.10 173.00 2ww3 s PRO 452 N 3.24 1.02 0.21 2.72 0.02 -1.26 -4.51 135.00 136.44 2ww3 s PRO 452 Ca 0.38 1.04 0.18 0.00 0.02 0.00 0.00 61.00 62.63 2ww3 s PRO 452 Cb -0.13 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.64 2ww3 s PRO 452 CO 0.13 -2.47 1.16 -0.92 -0.33 0.00 0.00 177.00 174.57 2ww3 h TYR 453 N -1.73 0.00 -0.61 6.54 5.03 -1.65 -3.38 116.97 121.17 2ww3 h TYR 453 Ca -0.49 0.00 -0.44 0.00 2.58 0.00 0.00 58.73 60.38 2ww3 h TYR 453 Cb 1.28 0.00 -0.33 0.00 1.55 0.00 0.00 36.73 39.23 2ww3 h TYR 453 CO 0.44 0.35 -0.60 -0.40 -1.32 0.00 0.00 178.16 176.63 2ww3 n ASP 454 N -2.96 4.41 -0.73 -2.11 5.75 -1.26 -4.61 116.55 115.03 2ww3 n ASP 454 Ca -0.02 -3.78 0.06 0.00 -0.01 0.00 0.00 54.79 51.03 2ww3 n ASP 454 Cb 0.70 -0.44 0.15 0.00 -1.03 0.00 0.00 41.12 40.50 2ww3 n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ww3 n VAL 455 N -0.82 1.55 -1.98 2.12 0.24 -1.26 -4.87 118.33 113.31 2ww3 n VAL 455 Ca 0.40 -2.44 -0.19 0.00 -2.04 0.00 0.00 64.34 60.08 2ww3 n VAL 455 Cb 0.90 0.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.31 2ww3 n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ww3 n LYS 456 N -0.73 -1.39 -3.91 7.34 4.01 -1.26 -4.96 118.16 117.25 2ww3 n LYS 456 Ca 0.15 1.02 -0.33 0.00 -0.51 0.00 0.00 58.31 58.64 2ww3 n LYS 456 Cb 0.79 -5.44 -0.13 0.00 -0.51 0.00 0.00 35.03 29.74 2ww3 n LYS 456 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ww3 s ILE 457 N -2.82 2.74 0.79 -0.18 1.01 -1.26 -5.10 121.20 116.37 2ww3 s ILE 457 Ca 0.00 -2.49 -0.14 0.00 0.00 0.00 0.00 60.65 58.02 2ww3 s ILE 457 Cb 0.00 -2.93 0.07 0.00 0.01 0.00 0.00 42.46 39.61 2ww3 s ILE 457 CO 0.00 -0.68 1.21 0.20 0.00 0.00 0.00 174.94 175.67 2ww3 s ASN 458 N 0.93 3.69 -1.42 3.58 0.01 -1.26 -3.56 114.94 116.91 2ww3 s ASN 458 Ca 0.12 2.39 -0.09 0.00 -0.71 0.00 0.00 52.86 54.56 2ww3 s ASN 458 Cb -0.21 -2.59 0.03 0.00 0.41 0.00 0.00 41.25 38.88 2ww3 s ASN 458 CO -0.05 -2.60 1.07 -0.62 -1.51 0.00 0.00 177.10 173.39 2ww3 n GLU 459 N -3.17 -7.11 -0.04 -0.60 1.02 0.21 -4.90 120.64 106.06 2ww3 n GLU 459 Ca 0.14 0.79 -0.06 0.00 -0.02 0.00 0.00 57.16 58.01 2ww3 n GLU 459 Cb 0.50 -5.79 0.14 0.00 -0.02 0.00 0.00 31.44 26.27 2ww3 n GLU 459 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2ww3 h ASN 460 N -2.42 0.65 0.03 1.62 -1.07 -1.54 -1.81 115.58 111.04 2ww3 h ASN 460 Ca -0.57 -0.23 -0.23 0.00 0.07 0.00 0.00 56.30 55.34 2ww3 h ASN 460 Cb 1.37 -0.18 0.01 0.00 -2.07 0.00 0.00 38.32 37.45 2ww3 h ASN 460 CO 0.58 0.88 -0.89 0.00 0.07 0.00 0.00 177.43 178.07 2ww3 h ALA 461 N 1.17 0.29 -0.42 4.14 0.00 -0.96 -1.40 119.26 122.09 2ww3 h ALA 461 Ca 0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2ww3 h ALA 461 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2ww3 h ALA 461 CO 0.05 0.72 0.17 0.00 0.00 0.00 0.00 179.25 180.20 2ww3 h ALA 462 N 0.58 0.54 -0.93 0.00 0.00 -1.44 -0.82 119.26 117.20 2ww3 h ALA 462 Ca -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2ww3 h ALA 462 Cb 1.52 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2ww3 h ALA 462 CO 0.17 0.14 0.60 0.00 0.00 0.00 0.00 179.25 180.16 2ww3 h ARG 463 N 0.53 1.23 -0.23 0.00 3.08 -1.29 -1.41 114.38 116.30 2ww3 h ARG 463 Ca 0.14 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2ww3 h ARG 463 Cb 0.18 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2ww3 h ARG 463 CO -0.01 0.82 -0.11 1.15 -1.07 0.00 0.00 179.97 180.75 2ww3 h THR 464 N 1.26 1.30 -0.46 2.04 2.02 -0.86 -0.87 112.91 117.35 2ww3 h THR 464 Ca 0.34 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 2ww3 h THR 464 Cb -0.13 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2ww3 h THR 464 CO -0.07 0.36 0.13 -0.07 0.37 0.00 0.00 175.52 176.24 2ww3 h LEU 465 N 0.18 0.69 -0.78 2.58 3.38 -0.94 -1.33 115.31 119.08 2ww3 h LEU 465 Ca 0.05 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 2ww3 h LEU 465 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2ww3 h LEU 465 CO 0.03 0.73 -0.57 -0.33 0.09 0.00 0.00 178.44 178.39 2ww3 h GLU 466 N 0.61 0.11 -0.62 1.13 5.08 -1.22 -2.70 114.58 116.98 2ww3 h GLU 466 Ca 0.15 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2ww3 h GLU 466 Cb 0.30 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2ww3 h GLU 466 CO -0.00 0.65 0.20 1.88 -1.00 0.00 0.00 179.01 180.74 2ww3 h TYR 467 N 0.08 0.99 -0.12 4.33 0.05 -0.88 0.27 116.97 121.70 2ww3 h TYR 467 Ca -0.00 -0.10 0.04 0.00 0.05 0.00 0.00 58.73 58.72 2ww3 h TYR 467 Cb 1.03 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 38.44 2ww3 h TYR 467 CO 0.01 0.81 -0.12 0.00 -1.05 0.00 0.00 178.16 177.81 2ww3 h ALA 468 N 1.07 -0.04 -0.38 3.88 0.00 -1.10 0.64 119.26 123.33 2ww3 h ALA 468 Ca 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2ww3 h ALA 468 Cb 0.29 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2ww3 h ALA 468 CO -0.01 -0.58 0.12 -0.92 0.00 0.00 0.00 179.25 177.87 2ww3 h TYR 469 N -0.15 0.60 -1.00 0.00 3.20 -1.20 -1.81 116.97 116.61 2ww3 h TYR 469 Ca 0.09 -0.06 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2ww3 h TYR 469 Cb 0.28 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.29 2ww3 h TYR 469 CO -0.24 0.57 0.64 -0.44 -1.64 0.00 0.00 178.16 177.05 2ww3 h ASP 470 N 0.46 0.98 0.51 -2.11 3.32 0.15 -0.09 116.42 119.63 2ww3 h ASP 470 Ca 0.12 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 2ww3 h ASP 470 Cb 0.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2ww3 h ASP 470 CO -0.00 0.57 -0.39 0.44 -1.72 0.00 0.00 179.24 178.13 2ww3 h ASP 471 N 1.07 0.00 -0.37 6.45 3.32 0.73 -1.95 116.42 125.68 2ww3 h ASP 471 Ca 0.47 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.38 2ww3 h ASP 471 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2ww3 h ASP 471 CO -0.22 0.39 -0.29 -0.25 -1.72 0.00 0.00 179.24 177.15 2ww3 h TRP 472 N 0.00 1.05 -0.41 4.55 7.01 -0.20 -1.57 115.95 126.37 2ww3 h TRP 472 Ca -0.00 -0.27 0.02 0.00 2.11 0.00 0.00 58.89 60.74 2ww3 h TRP 472 Cb 0.75 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.55 2ww3 h TRP 472 CO 0.00 1.07 0.24 0.00 -2.79 0.00 0.00 178.44 176.97 2ww3 h ILE 474 N 0.50 1.22 -0.40 0.00 2.04 -1.30 -1.84 117.51 117.73 2ww3 h ILE 474 Ca 0.16 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.29 2ww3 h ILE 474 Cb 0.00 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2ww3 h ILE 474 CO -0.07 0.29 0.25 0.22 0.00 0.00 0.00 178.15 178.84 2ww3 h TYR 475 N 0.85 0.47 -0.72 1.37 5.03 -0.68 0.32 116.97 123.61 2ww3 h TYR 475 Ca 0.20 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.55 2ww3 h TYR 475 Cb 0.23 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 38.31 2ww3 h TYR 475 CO 0.01 0.29 0.45 0.00 -1.32 0.00 0.00 178.16 177.59 2ww3 h ARG 476 N 0.51 0.84 -0.21 1.82 2.47 -0.42 -0.58 114.38 118.82 2ww3 h ARG 476 Ca 0.15 -0.05 -0.14 0.00 -1.26 0.00 0.00 59.98 58.68 2ww3 h ARG 476 Cb -0.03 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.11 2ww3 h ARG 476 CO -0.05 0.55 -0.43 1.25 0.56 0.00 0.00 179.97 181.85 2ww3 h LEU 477 N 0.86 0.74 -0.70 3.04 5.85 -1.02 -1.02 115.31 123.06 2ww3 h LEU 477 Ca 0.29 -0.55 0.14 0.00 0.84 0.00 0.00 57.88 58.60 2ww3 h LEU 477 Cb 0.05 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 2ww3 h LEU 477 CO -0.12 1.16 0.20 0.00 -0.34 0.00 0.00 178.44 179.34 2ww3 h ALA 478 N 0.61 0.91 0.01 1.25 0.00 0.02 0.43 119.26 122.48 2ww3 h ALA 478 Ca 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ww3 h ALA 478 Cb 1.04 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ww3 h ALA 478 CO 0.10 -0.29 -0.00 -0.22 0.00 0.00 0.00 179.25 178.83 2ww3 h LYS 479 N 0.32 -0.01 -0.99 0.00 3.64 -0.99 -1.62 116.57 116.91 2ww3 h LYS 479 Ca 0.38 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.80 2ww3 h LYS 479 Cb 0.61 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 2ww3 h LYS 479 CO -0.44 0.30 0.65 1.49 -2.27 0.00 0.00 179.45 179.18 2ww3 h GLU 480 N -0.32 1.24 0.00 1.90 4.57 -0.51 -1.55 114.58 119.91 2ww3 h GLU 480 Ca -0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2ww3 h GLU 480 Cb 0.31 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2ww3 h GLU 480 CO 0.00 0.82 0.00 1.28 -1.18 0.00 0.00 179.01 179.93 2ww3 n LEU 481 N -4.44 0.00 -1.70 1.64 4.32 0.14 -4.90 117.00 112.06 2ww3 n LEU 481 Ca 0.13 0.01 -0.13 0.00 -0.02 0.00 0.00 56.01 56.00 2ww3 n LEU 481 Cb 0.08 -0.01 0.01 0.00 -1.62 0.00 0.00 43.42 41.87 2ww3 n LEU 481 CO 0.35 -0.00 -0.08 0.29 -1.22 0.00 0.00 177.39 176.73 2ww3 n LYS 482 N -1.01 -2.04 -1.26 3.23 4.01 -0.58 -5.00 118.16 115.50 2ww3 n LYS 482 Ca 0.23 0.59 -0.29 0.00 -0.51 0.00 0.00 58.31 58.34 2ww3 n LYS 482 Cb 0.12 -4.76 0.16 0.00 -0.51 0.00 0.00 35.03 30.04 2ww3 n LYS 482 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2ww3 s ARG 483 N -4.95 0.69 0.49 1.97 1.81 -0.67 -4.96 118.95 113.33 2ww3 s ARG 483 Ca 0.10 0.50 -0.22 0.00 -1.72 0.00 0.00 55.73 54.38 2ww3 s ARG 483 Cb -0.04 -1.77 -0.08 0.00 -0.45 0.00 0.00 34.95 32.60 2ww3 s ARG 483 CO 0.12 -2.55 0.99 -2.30 -0.68 0.00 0.00 175.30 170.88 2ww3 n PRO 484 N -4.05 1.21 0.26 3.54 -0.02 -1.26 -4.82 135.00 129.87 2ww3 n PRO 484 Ca 0.06 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 2ww3 n PRO 484 Cb 0.57 -2.10 0.69 0.00 -0.02 0.00 0.00 33.50 32.64 2ww3 n PRO 484 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ww3 h LYS 485 N 1.18 0.00 -0.57 -0.52 -0.00 -1.99 -2.68 116.57 111.99 2ww3 h LYS 485 Ca -0.46 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.08 2ww3 h LYS 485 Cb 1.35 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.56 2ww3 h LYS 485 CO 0.55 0.02 -0.07 1.57 -0.00 0.00 0.00 179.45 181.51 2ww3 h LYS 486 N 0.00 1.05 -0.16 0.07 5.09 -2.00 -2.03 116.57 118.60 2ww3 h LYS 486 Ca -0.00 -0.37 -0.06 0.00 0.09 0.00 0.00 60.65 60.31 2ww3 h LYS 486 Cb 0.03 -0.08 -0.00 0.00 0.10 0.00 0.00 32.23 32.28 2ww3 h LYS 486 CO 0.00 1.06 -0.12 0.93 -2.09 0.00 0.00 179.45 179.23 2ww3 h GLU 487 N 0.94 0.36 -0.47 0.07 5.08 -1.85 -2.09 114.58 116.61 2ww3 h GLU 487 Ca 0.15 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2ww3 h GLU 487 Cb 0.64 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 2ww3 h GLU 487 CO 0.04 0.72 0.04 0.82 -1.00 0.00 0.00 179.01 179.63 2ww3 h ILE 488 N 0.01 0.68 -0.51 3.13 2.04 -1.44 -1.40 117.51 120.02 2ww3 h ILE 488 Ca 0.03 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2ww3 h ILE 488 Cb 0.64 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2ww3 h ILE 488 CO 0.03 0.03 0.11 0.28 0.00 0.00 0.00 178.15 178.60 2ww3 h SER 489 N 0.17 0.73 -0.55 1.72 0.02 -1.37 0.51 113.55 114.77 2ww3 h SER 489 Ca 0.24 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2ww3 h SER 489 Cb 0.33 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2ww3 h SER 489 CO -0.35 0.74 0.36 0.25 -1.14 0.00 0.00 176.83 176.68 2ww3 h LEU 490 N 0.76 0.60 0.04 5.07 5.85 -0.56 0.57 115.31 127.63 2ww3 h LEU 490 Ca 0.16 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.65 2ww3 h LEU 490 Cb 0.31 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2ww3 h LEU 490 CO 0.00 0.43 -1.08 -0.26 -0.34 0.00 0.00 178.44 177.19 2ww3 h PHE 491 N 0.72 0.15 -0.32 1.25 0.04 -1.07 -1.90 116.94 115.80 2ww3 h PHE 491 Ca 0.21 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.93 2ww3 h PHE 491 Cb -0.04 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.05 2ww3 h PHE 491 CO -0.05 1.09 0.01 0.00 -0.60 0.00 0.00 178.31 178.76 2ww3 h ALA 492 N 0.87 0.30 -0.71 2.45 0.00 -0.72 0.90 119.26 122.35 2ww3 h ALA 492 Ca -0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2ww3 h ALA 492 Cb 1.83 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 2ww3 h ALA 492 CO 0.15 -0.39 0.26 -0.22 0.00 0.00 0.00 179.25 179.05 2ww3 h LYS 493 N 0.11 1.07 -0.27 0.00 3.64 -0.80 -2.99 116.57 117.32 2ww3 h LYS 493 Ca 0.16 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 2ww3 h LYS 493 Cb 0.20 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2ww3 h LYS 493 CO -0.25 0.90 -0.35 0.00 -2.27 0.00 0.00 179.45 177.48 2ww3 h ARG 494 N 1.02 0.61 -0.48 1.90 3.08 -0.91 -2.14 114.38 117.46 2ww3 h ARG 494 Ca 0.23 -0.29 0.14 0.00 0.07 0.00 0.00 59.98 60.14 2ww3 h ARG 494 Cb 0.24 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2ww3 h ARG 494 CO -0.02 0.87 0.49 0.00 -1.07 0.00 0.00 179.97 180.25 2ww3 h ALA 495 N 1.11 2.22 -0.25 0.04 0.00 -0.68 0.83 119.26 122.53 2ww3 h ALA 495 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ww3 h ALA 495 Cb 0.85 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ww3 h ALA 495 CO 0.07 -0.74 0.00 -1.33 0.00 0.00 0.00 179.25 177.25 2ww3 n MET 496 N -3.75 1.80 0.22 0.00 2.81 -0.80 -4.26 117.12 113.14 2ww3 n MET 496 Ca 0.09 -1.22 0.15 0.00 -1.81 0.00 0.00 57.70 54.91 2ww3 n MET 496 Cb 0.69 -1.36 0.67 0.00 -0.71 0.00 0.00 33.22 32.50 2ww3 n MET 496 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2ww3 h ASN 497 N 2.28 0.00 -0.11 7.83 2.35 -0.92 -2.86 115.58 124.15 2ww3 h ASN 497 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2ww3 h ASN 497 Cb 0.51 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 2ww3 h ASN 497 CO 0.00 0.00 0.13 0.10 -1.65 0.00 0.00 177.43 176.01 2ww3 h TYR 498 N 0.00 0.00 0.00 1.19 -0.00 -1.80 -0.89 116.97 115.47 2ww3 h TYR 498 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 2ww3 h TYR 498 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.09 2ww3 h TYR 498 CO 0.00 0.00 -0.14 0.87 -0.00 0.00 0.00 178.16 178.89 2ww3 h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.86 -2.95 116.57 113.43 2ww3 h LYS 499 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2ww3 h LYS 499 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2ww3 h LYS 499 CO -0.00 0.14 0.00 -0.91 -0.57 0.00 0.00 179.45 178.11 2ww3 h ASN 500 N 0.00 0.00 -0.29 0.86 2.35 -1.38 -2.54 115.58 114.58 2ww3 h ASN 500 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ww3 h ASN 500 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2ww3 h ASN 500 CO 0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.98 2ww3 n LEU 501 N -2.50 2.85 -4.67 1.61 4.77 -1.11 -4.95 117.00 113.00 2ww3 n LEU 501 Ca 0.01 -2.06 -0.41 0.00 -0.03 0.00 0.00 56.01 53.52 2ww3 n LEU 501 Cb 0.20 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2ww3 n LEU 501 CO 0.20 0.70 0.52 0.12 -1.33 0.00 0.00 177.39 177.59 2ww3 s PHE 502 N -1.11 3.42 -0.34 -1.77 5.36 -0.96 -0.61 117.98 121.97 2ww3 s PHE 502 Ca 0.21 1.15 -0.08 0.00 -0.96 0.00 0.00 56.93 57.25 2ww3 s PHE 502 Cb 0.12 -2.93 0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2ww3 s PHE 502 CO 0.13 -0.19 0.13 0.34 -1.46 0.00 0.00 175.22 174.18 2ww3 s ASP 503 N 1.14 5.42 0.50 6.13 2.15 -0.40 -4.97 116.67 126.65 2ww3 s ASP 503 Ca 0.35 -0.98 0.20 0.00 0.43 0.00 0.00 52.55 52.55 2ww3 s ASP 503 Cb -0.16 -1.93 1.29 0.00 -0.30 0.00 0.00 42.92 41.82 2ww3 s ASP 503 CO 0.12 -0.31 2.09 0.11 -0.17 0.00 0.00 175.17 177.01 2ww3 h LYS 504 N 8.30 0.00 -0.76 4.34 1.57 -1.93 0.20 116.57 128.28 2ww3 h LYS 504 Ca -0.26 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 2ww3 h LYS 504 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 2ww3 h LYS 504 CO 0.62 0.10 0.37 0.93 -0.57 0.00 0.00 179.45 180.90 2ww3 h GLU 505 N 0.00 1.09 0.00 3.15 5.08 -1.95 -3.17 114.58 118.79 2ww3 h GLU 505 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2ww3 h GLU 505 Cb 0.20 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ww3 h GLU 505 CO 0.01 0.85 -1.78 -1.13 -1.00 0.00 0.00 179.01 175.97 2ww3 n SER 506 N -4.39 0.35 -3.35 1.42 3.41 -0.96 -4.98 113.62 105.12 2ww3 n SER 506 Ca 0.07 -0.18 -0.23 0.00 -0.26 0.00 0.00 58.87 58.27 2ww3 n SER 506 Cb 0.13 1.78 0.06 0.00 -0.26 0.00 0.00 64.21 65.93 2ww3 n SER 506 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ww3 n LYS 507 N -2.09 -6.89 -4.16 4.33 5.02 0.65 -5.03 118.16 109.99 2ww3 n LYS 507 Ca -0.02 0.84 -0.11 0.00 -2.02 0.00 0.00 58.31 57.00 2ww3 n LYS 507 Cb 0.50 -5.79 -0.10 0.00 -0.02 0.00 0.00 35.03 29.63 2ww3 n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww3 s LEU 508 N -6.99 1.45 0.36 -0.35 1.43 -1.18 -4.96 118.68 108.45 2ww3 s LEU 508 Ca 0.49 -1.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.08 2ww3 s LEU 508 Cb -0.22 0.41 -0.09 0.00 0.03 0.00 0.00 46.19 46.32 2ww3 s LEU 508 CO 0.60 -0.79 1.06 -0.04 0.23 0.00 0.00 176.35 177.41 2ww3 s MET 509 N -4.09 4.31 -0.14 1.70 -1.94 -1.26 -1.28 119.30 116.60 2ww3 s MET 509 Ca 0.30 1.58 -0.16 0.00 -1.71 0.00 0.00 55.69 55.70 2ww3 s MET 509 Cb 0.07 -2.73 0.04 0.00 2.01 0.00 0.00 34.83 34.22 2ww3 s MET 509 CO 0.06 -0.03 0.43 0.50 -0.01 0.00 0.00 175.02 175.97 2ww3 s ARG 510 N -2.19 0.55 0.55 2.03 3.52 0.22 -4.81 118.95 118.82 2ww3 s ARG 510 Ca 0.54 0.49 -0.21 0.00 -0.13 0.00 0.00 55.73 56.41 2ww3 s ARG 510 Cb -0.25 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 2ww3 s ARG 510 CO 0.31 -0.09 1.30 0.20 -0.81 0.00 0.00 175.30 176.21 2ww3 s GLY 511 N -0.03 2.85 -0.11 8.12 0.00 -1.26 -4.71 107.32 112.18 2ww3 s GLY 511 Ca -0.02 1.22 -0.00 0.00 0.00 0.00 0.00 44.72 45.91 2ww3 s GLY 511 CO 0.01 1.70 -0.08 -1.60 0.00 0.00 0.00 173.10 173.14 2ww3 s ARG 512 N -2.98 1.51 0.91 2.90 3.52 -1.26 -1.11 118.95 122.44 2ww3 s ARG 512 Ca 0.72 -0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 55.96 2ww3 s ARG 512 Cb -0.37 -1.55 0.14 0.00 -1.56 0.00 0.00 34.95 31.61 2ww3 s ARG 512 CO 0.43 -0.24 1.15 0.09 -0.81 0.00 0.00 175.30 175.91 2ww3 n ASN 513 N 4.85 0.39 -0.28 -2.12 3.02 0.38 -1.79 115.26 119.71 2ww3 n ASN 513 Ca -0.13 0.44 0.07 0.00 -0.03 0.00 0.00 54.58 54.92 2ww3 n ASN 513 Cb 0.50 -1.48 0.29 0.00 -0.61 0.00 0.00 39.78 38.48 2ww3 n ASN 513 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2ww3 h GLU 514 N -1.80 0.87 0.00 3.52 4.81 -1.89 -0.76 114.58 119.33 2ww3 h GLU 514 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2ww3 h GLU 514 Cb 1.27 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2ww3 h GLU 514 CO 0.41 0.57 0.00 -0.40 -0.73 0.00 0.00 179.01 178.87 2ww3 n ASP 515 N -4.52 0.00 0.00 1.04 5.68 -1.26 -4.88 116.55 112.61 2ww3 n ASP 515 Ca 0.15 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 2ww3 n ASP 515 Cb 0.28 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2ww3 n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww3 n GLY 516 N -0.00 1.74 3.75 6.12 0.00 -0.29 -5.06 105.19 111.45 2ww3 n GLY 516 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2ww3 n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww3 s THR 517 N -2.42 3.73 0.38 2.61 -4.23 -1.26 -4.78 115.64 109.67 2ww3 s THR 517 Ca 0.00 1.70 -0.27 0.00 -1.18 0.00 0.00 61.69 61.94 2ww3 s THR 517 Cb 0.00 -4.08 -0.09 0.00 1.34 0.00 0.00 72.50 69.67 2ww3 s THR 517 CO 0.00 0.39 1.29 -0.36 -0.54 0.00 0.00 174.62 175.40 2ww3 s PHE 518 N -1.01 2.91 0.47 3.99 0.08 -1.26 -0.47 117.98 122.69 2ww3 s PHE 518 Ca 0.44 1.42 -0.23 0.00 0.12 0.00 0.00 56.93 58.68 2ww3 s PHE 518 Cb -0.30 -3.65 -0.07 0.00 -0.57 0.00 0.00 43.02 38.43 2ww3 s PHE 518 CO 0.37 -1.95 1.27 1.14 -0.10 0.00 0.00 175.22 175.95 2ww3 s GLN 519 N -2.10 3.62 -0.00 0.44 1.03 -0.27 -4.78 119.66 117.61 2ww3 s GLN 519 Ca 0.54 2.04 -0.07 0.00 0.04 0.00 0.00 55.36 57.91 2ww3 s GLN 519 Cb -0.38 -2.46 0.00 0.00 0.03 0.00 0.00 33.01 30.20 2ww3 s GLN 519 CO 0.49 -0.74 0.13 -1.12 -2.54 0.00 0.00 175.29 171.51 2ww3 s SER 520 N -1.04 0.01 0.55 12.60 0.01 -1.26 -4.21 113.70 120.36 2ww3 s SER 520 Ca 0.64 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.58 2ww3 s SER 520 Cb -0.35 0.21 -0.06 0.00 0.21 0.00 0.00 66.02 66.03 2ww3 s SER 520 CO 0.43 -0.33 1.01 -2.16 0.41 0.00 0.00 173.24 172.61 2ww3 s PRO 521 N -1.20 3.70 -0.13 12.44 0.04 -1.26 -5.16 135.00 143.44 2ww3 s PRO 521 Ca -0.13 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 61.95 2ww3 s PRO 521 Cb -0.07 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2ww3 s PRO 521 CO 0.01 -0.48 -0.11 0.12 0.04 0.00 0.00 177.00 176.58 2ww3 s PHE 522 N -2.57 2.84 -0.07 0.56 5.36 -1.26 -5.10 117.98 117.75 2ww3 s PHE 522 Ca 0.61 -0.53 0.02 0.00 -0.96 0.00 0.00 56.93 56.07 2ww3 s PHE 522 Cb -0.12 -1.84 0.01 0.00 -0.34 0.00 0.00 43.02 40.73 2ww3 s PHE 522 CO 0.34 -0.14 -0.12 0.45 -1.46 0.00 0.00 175.22 174.29 2ww3 s SER 523 N 0.24 1.77 0.47 6.13 0.15 -1.26 -4.99 113.70 116.22 2ww3 s SER 523 Ca -0.08 -0.30 0.32 0.00 0.70 0.00 0.00 55.95 56.60 2ww3 s SER 523 Cb -0.15 -0.82 1.52 0.00 -1.71 0.00 0.00 66.02 64.86 2ww3 s SER 523 CO 0.05 0.03 1.96 1.55 1.20 0.00 0.00 173.24 178.03 2ww3 h PRO 524 N 7.00 0.00 -0.01 5.44 0.13 -1.99 -2.40 132.00 140.17 2ww3 h PRO 524 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2ww3 h PRO 524 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ww3 h PRO 524 CO 0.47 0.00 -0.21 1.28 -0.23 0.00 0.00 178.00 179.31 2ww3 n LEU 525 N -2.73 1.47 -4.68 1.56 4.77 -1.26 -2.75 117.00 113.39 2ww3 n LEU 525 Ca -0.00 -0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 55.09 2ww3 n LEU 525 Cb 0.18 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2ww3 n LEU 525 CO 0.20 0.26 0.96 -0.75 -1.33 0.00 0.00 177.39 176.74 2ww3 s LYS 526 N -2.33 4.32 0.38 3.23 2.20 -0.91 -2.03 119.74 124.60 2ww3 s LYS 526 Ca 0.27 1.61 -0.06 0.00 -0.36 0.00 0.00 55.97 57.42 2ww3 s LYS 526 Cb 0.20 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2ww3 s LYS 526 CO 0.47 -0.51 0.68 -1.58 -0.36 0.00 0.00 175.35 174.05 2ww3 s TRP 527 N 2.58 3.50 0.00 4.03 0.52 -0.92 -4.32 118.94 124.33 2ww3 s TRP 527 Ca 0.54 0.80 0.00 0.00 0.02 0.00 0.00 56.10 57.45 2ww3 s TRP 527 Cb -0.22 -2.25 0.00 0.00 -1.15 0.00 0.00 33.47 29.85 2ww3 s TRP 527 CO 0.18 -0.03 0.00 0.41 0.02 0.00 0.00 176.95 177.53 2ww3 n GLY 528 N -1.43 0.55 6.50 0.98 0.00 -0.65 -4.58 105.19 106.56 2ww3 n GLY 528 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2ww3 n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ww3 n ASP 529 N -1.93 0.00 0.21 1.61 2.03 -1.26 -0.83 116.55 116.38 2ww3 n ASP 529 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2ww3 n ASP 529 Cb 0.00 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 40.75 2ww3 n ASP 529 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ww3 h ALA 530 N -0.86 0.94 -1.11 -1.67 0.00 -1.93 0.61 119.26 115.24 2ww3 h ALA 530 Ca 0.00 -0.21 -0.64 0.00 0.00 0.00 0.00 54.91 54.07 2ww3 h ALA 530 Cb 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.64 2ww3 h ALA 530 CO 0.00 0.28 -0.53 -0.06 0.00 0.00 0.00 179.25 178.94 2ww3 s PHE 531 N -3.44 2.24 -0.16 0.00 0.08 -0.01 -0.40 117.98 116.30 2ww3 s PHE 531 Ca 0.02 -0.77 -0.01 0.00 0.12 0.00 0.00 56.93 56.29 2ww3 s PHE 531 Cb 0.09 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2ww3 s PHE 531 CO 0.65 0.27 -0.11 0.99 -0.10 0.00 0.00 175.22 176.92 2ww3 s THR 532 N -2.76 3.09 -2.01 0.64 2.01 -1.26 -3.88 115.64 111.48 2ww3 s THR 532 Ca 0.25 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2ww3 s THR 532 Cb 0.05 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2ww3 s THR 532 CO 0.13 0.50 0.00 -0.62 -0.69 0.00 0.00 174.62 173.94 2ww3 n GLU 533 N 3.96 -1.57 -3.52 4.92 -0.58 -1.26 -4.81 120.64 117.78 2ww3 n GLU 533 Ca -0.18 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.68 2ww3 n GLU 533 Cb 0.52 -5.65 0.00 0.00 -0.57 0.00 0.00 31.44 25.74 2ww3 n GLU 533 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ww3 n GLY 534 N -0.70 -1.54 0.20 0.62 0.00 -1.26 -4.91 105.19 97.60 2ww3 n GLY 534 Ca -0.23 -1.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 2ww3 n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ww3 n ASN 535 N 1.55 1.51 -0.08 1.61 0.23 -1.26 -1.64 115.26 117.18 2ww3 n ASN 535 Ca 0.00 -1.11 -0.01 0.00 -0.53 0.00 0.00 54.58 52.93 2ww3 n ASN 535 Cb 0.00 0.01 0.26 0.00 -2.08 0.00 0.00 39.78 37.97 2ww3 n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2ww3 h SER 536 N 0.05 0.66 -0.05 0.53 0.87 -1.71 -1.99 113.55 111.90 2ww3 h SER 536 Ca -0.02 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2ww3 h SER 536 Cb 0.07 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2ww3 h SER 536 CO 0.03 0.62 0.01 -0.50 -0.53 0.00 0.00 176.83 176.47 2ww3 h TRP 537 N 0.70 0.13 0.15 2.24 4.06 -1.93 -0.04 115.95 121.28 2ww3 h TRP 537 Ca 0.17 -0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.79 2ww3 h TRP 537 Cb 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.32 2ww3 h TRP 537 CO 0.01 0.13 -1.57 0.45 -3.56 0.00 0.00 178.44 173.90 2ww3 h HIS 538 N 0.14 0.59 0.00 0.49 3.86 -1.73 -3.39 115.15 115.10 2ww3 h HIS 538 Ca 0.04 -0.43 -0.07 0.00 -1.16 0.00 0.00 60.37 58.74 2ww3 h HIS 538 Cb 0.08 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 2ww3 h HIS 538 CO 0.00 1.48 -1.03 1.88 0.86 0.00 0.00 177.93 181.12 2ww3 h TYR 539 N 0.09 0.00 -0.85 2.45 -1.99 -1.13 -3.35 116.97 112.18 2ww3 h TYR 539 Ca -0.27 0.00 0.24 0.00 2.00 0.00 0.00 58.73 60.70 2ww3 h TYR 539 Cb 2.06 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.75 2ww3 h TYR 539 CO 0.08 0.27 0.61 1.15 -0.00 0.00 0.00 178.16 180.26 2ww3 h THR 540 N 0.00 0.59 -0.02 -2.88 2.02 -1.21 -0.91 112.91 110.50 2ww3 h THR 540 Ca -0.06 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2ww3 h THR 540 Cb 1.26 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2ww3 h THR 540 CO 0.02 0.01 0.00 0.79 0.37 0.00 0.00 175.52 176.72 2ww3 n TRP 541 N -4.32 0.02 -1.53 3.16 7.02 -1.26 -4.54 117.44 116.00 2ww3 n TRP 541 Ca 0.18 -0.01 -0.40 0.00 -1.02 0.00 0.00 57.50 56.24 2ww3 n TRP 541 Cb 0.88 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.75 2ww3 n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2ww3 n SER 542 N -0.64 6.49 -3.20 -0.99 7.64 -0.35 -4.51 113.62 118.05 2ww3 n SER 542 Ca 0.19 -2.71 -0.24 0.00 1.01 0.00 0.00 58.87 57.11 2ww3 n SER 542 Cb 0.14 -1.60 -0.06 0.00 -1.01 0.00 0.00 64.21 61.68 2ww3 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2ww3 n VAL 543 N 4.23 0.94 -0.04 0.44 0.31 -1.26 -4.78 118.33 118.17 2ww3 n VAL 543 Ca 0.66 -4.76 0.02 0.00 -0.01 0.00 0.00 64.34 60.24 2ww3 n VAL 543 Cb 0.30 -1.48 0.35 0.00 -0.91 0.00 0.00 33.84 32.10 2ww3 n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2ww3 h PHE 544 N 3.61 0.60 -0.01 3.52 -1.00 -1.89 -1.88 116.94 119.90 2ww3 h PHE 544 Ca 0.12 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2ww3 h PHE 544 Cb 0.77 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.14 2ww3 h PHE 544 CO 0.57 0.45 -0.17 -2.39 -1.61 0.00 0.00 178.31 175.16 2ww3 n HIS 545 N -4.40 0.00 -2.78 -0.55 1.44 -1.26 -4.46 115.22 103.21 2ww3 n HIS 545 Ca 0.03 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.65 2ww3 n HIS 545 Cb 0.12 -0.07 0.07 0.00 0.12 0.00 0.00 29.99 30.23 2ww3 n HIS 545 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2ww3 n ASP 546 N -0.31 -1.10 -0.29 4.39 2.03 -0.72 0.83 116.55 121.38 2ww3 n ASP 546 Ca 0.14 -3.02 0.01 0.00 0.52 0.00 0.00 54.79 52.44 2ww3 n ASP 546 Cb 0.36 0.84 0.13 0.00 -0.72 0.00 0.00 41.12 41.73 2ww3 n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ww3 h PRO 547 N 2.67 0.85 -0.43 -0.67 0.11 -1.74 -0.50 132.00 132.29 2ww3 h PRO 547 Ca -0.13 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.03 2ww3 h PRO 547 Cb 1.16 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2ww3 h PRO 547 CO 0.18 0.56 0.30 0.37 -0.21 0.00 0.00 178.00 179.21 2ww3 h GLN 548 N 0.88 0.13 -0.43 1.05 5.75 -1.91 0.17 115.11 120.75 2ww3 h GLN 548 Ca 0.36 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.75 2ww3 h GLN 548 Cb 0.20 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2ww3 h GLN 548 CO -0.19 0.08 -0.12 0.78 -2.65 0.00 0.00 178.83 176.74 2ww3 h GLY 549 N 0.13 0.91 0.88 2.39 0.00 -1.50 -0.35 103.07 105.52 2ww3 h GLY 549 Ca 0.20 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 2ww3 h GLY 549 CO -0.02 0.69 0.05 -2.00 0.00 0.00 0.00 176.54 175.26 2ww3 h LEU 550 N 0.66 0.41 -1.00 3.11 5.85 -0.46 -2.40 115.31 121.48 2ww3 h LEU 550 Ca 0.11 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.64 2ww3 h LEU 550 Cb 0.66 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 2ww3 h LEU 550 CO 0.05 0.55 0.65 0.40 -0.34 0.00 0.00 178.44 179.74 2ww3 h ILE 551 N 0.25 1.10 -0.27 4.05 2.04 -0.59 -0.65 117.51 123.45 2ww3 h ILE 551 Ca 0.08 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2ww3 h ILE 551 Cb 0.31 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2ww3 h ILE 551 CO 0.00 0.22 0.06 0.44 0.00 0.00 0.00 178.15 178.87 2ww3 h ASP 552 N 1.19 0.35 0.29 1.72 3.32 -0.84 -1.69 116.42 120.76 2ww3 h ASP 552 Ca 0.43 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.25 2ww3 h ASP 552 Cb 0.14 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 2ww3 h ASP 552 CO -0.16 0.36 -0.77 -0.07 -1.72 0.00 0.00 179.24 176.87 2ww3 h LEU 553 N 0.38 0.47 -2.71 1.55 3.38 -0.65 -3.33 115.31 114.39 2ww3 h LEU 553 Ca 0.09 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2ww3 h LEU 553 Cb 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2ww3 h LEU 553 CO -0.00 1.07 0.10 0.23 0.09 0.00 0.00 178.44 179.93 2ww3 n MET 554 N -3.81 2.97 -0.55 1.13 2.81 -0.59 -4.84 117.12 114.24 2ww3 n MET 554 Ca -0.05 -1.88 0.00 0.00 -1.81 0.00 0.00 57.70 53.96 2ww3 n MET 554 Cb 0.73 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 2ww3 n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww3 n GLY 555 N 0.16 0.70 0.00 3.03 0.00 -1.21 -3.72 105.19 104.16 2ww3 n GLY 555 Ca 0.22 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2ww3 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 556 N -2.44 0.42 0.36 -0.02 0.00 -0.66 -4.31 105.19 98.54 2ww3 n GLY 556 Ca 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.36 2ww3 n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ww3 h LYS 557 N 0.00 0.60 -0.33 1.61 2.10 -1.91 -0.90 116.57 117.73 2ww3 h LYS 557 Ca 0.00 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 2ww3 h LYS 557 Cb 0.00 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.18 2ww3 h LYS 557 CO 0.00 0.40 -0.07 0.93 -2.00 0.00 0.00 179.45 178.71 2ww3 h GLU 558 N 0.62 0.64 -0.15 0.07 3.07 -1.88 0.08 114.58 117.02 2ww3 h GLU 558 Ca 0.36 -0.24 -0.14 0.00 -0.50 0.00 0.00 59.36 58.84 2ww3 h GLU 558 Cb 0.55 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 2ww3 h GLU 558 CO -0.13 0.80 -0.50 1.98 -1.40 0.00 0.00 179.01 179.76 2ww3 h MET 559 N 0.42 0.40 -0.56 2.33 4.05 -1.60 -1.96 114.93 118.01 2ww3 h MET 559 Ca 0.09 -0.23 -0.04 0.00 -0.28 0.00 0.00 59.70 59.24 2ww3 h MET 559 Cb 0.56 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.35 2ww3 h MET 559 CO 0.03 0.81 0.19 0.35 0.23 0.00 0.00 176.91 178.52 2ww3 h PHE 560 N 0.32 0.88 -0.67 1.39 3.04 -1.03 0.17 116.94 121.03 2ww3 h PHE 560 Ca 0.01 -0.08 -0.08 0.00 3.98 0.00 0.00 57.97 61.81 2ww3 h PHE 560 Cb 0.99 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 39.22 2ww3 h PHE 560 CO 0.03 0.73 0.12 0.28 -2.02 0.00 0.00 178.31 177.45 2ww3 h VAL 561 N 0.77 1.26 -0.68 1.41 2.07 -0.84 -1.58 116.25 118.66 2ww3 h VAL 561 Ca 0.18 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2ww3 h VAL 561 Cb 0.25 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2ww3 h VAL 561 CO -0.01 0.38 0.45 0.74 0.02 0.00 0.00 177.57 179.15 2ww3 h THR 562 N 1.03 1.18 -0.23 2.57 2.02 -0.87 -0.10 112.91 118.50 2ww3 h THR 562 Ca 0.21 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.07 2ww3 h THR 562 Cb 0.42 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2ww3 h THR 562 CO 0.01 0.18 0.09 0.24 0.37 0.00 0.00 175.52 176.40 2ww3 h MET 563 N 0.93 0.20 -0.46 6.66 2.07 -0.68 -1.58 114.93 122.07 2ww3 h MET 563 Ca 0.25 -0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.86 2ww3 h MET 563 Cb -0.09 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.57 2ww3 h MET 563 CO -0.05 0.13 0.27 0.52 1.07 0.00 0.00 176.91 178.85 2ww3 h MET 564 N 0.20 0.63 -0.90 1.72 2.86 -0.75 -2.44 114.93 116.25 2ww3 h MET 564 Ca 0.10 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2ww3 h MET 564 Cb 0.06 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 2ww3 h MET 564 CO -0.10 0.47 0.59 -0.44 1.06 0.00 0.00 176.91 178.49 2ww3 h ASP 565 N 0.61 0.99 0.25 1.22 3.32 -0.92 -0.83 116.42 121.06 2ww3 h ASP 565 Ca 0.16 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2ww3 h ASP 565 Cb 0.01 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 2ww3 h ASP 565 CO -0.03 0.70 -0.10 0.77 -1.72 0.00 0.00 179.24 178.85 2ww3 h SER 566 N 1.16 0.00 -0.72 6.45 4.64 -0.81 -2.35 113.55 121.92 2ww3 h SER 566 Ca 0.35 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.79 2ww3 h SER 566 Cb -0.05 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 61.96 2ww3 h SER 566 CO -0.10 0.10 0.31 0.58 -0.87 0.00 0.00 176.83 176.85 2ww3 h VAL 567 N 0.00 0.73 0.00 0.95 2.07 -0.87 -0.26 116.25 118.87 2ww3 h VAL 567 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2ww3 h VAL 567 Cb 0.25 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2ww3 h VAL 567 CO 0.01 0.09 0.00 -0.26 0.02 0.00 0.00 177.57 177.43 2ww3 h PHE 568 N 0.49 0.00 -0.01 1.57 0.04 -1.52 -0.61 116.94 116.91 2ww3 h PHE 568 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2ww3 h PHE 568 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2ww3 h PHE 568 CO -0.15 0.00 -0.55 0.00 -0.60 0.00 0.00 178.31 177.01 2ww3 n ALA 569 N -2.03 3.67 -2.65 2.45 0.00 -0.21 -2.97 120.51 118.76 2ww3 n ALA 569 Ca 0.02 -0.54 -0.39 0.00 0.00 0.00 0.00 53.44 52.53 2ww3 n ALA 569 Cb 0.35 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 2ww3 n ALA 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ww3 s VAL 570 N -2.29 5.09 0.13 0.00 -7.23 -0.59 -4.94 120.40 110.58 2ww3 s VAL 570 Ca 0.11 0.96 -0.33 0.00 -1.81 0.00 0.00 61.98 60.92 2ww3 s VAL 570 Cb 0.14 -3.85 -0.18 0.00 0.56 0.00 0.00 36.38 33.06 2ww3 s VAL 570 CO 0.55 0.16 0.82 -2.65 -0.31 0.00 0.00 175.10 173.67 2ww3 n PRO 571 N 4.94 0.24 -0.56 4.82 -0.02 -1.26 -2.90 135.00 140.25 2ww3 n PRO 571 Ca -0.04 0.08 -0.09 0.00 -2.02 0.00 0.00 63.50 61.43 2ww3 n PRO 571 Cb 0.50 -1.34 -0.08 0.00 -0.02 0.00 0.00 33.50 32.57 2ww3 n PRO 571 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ww3 n PRO 572 N 1.27 1.24 -2.57 0.52 -0.04 -1.26 -4.76 135.00 129.40 2ww3 n PRO 572 Ca 0.18 -0.70 -0.27 0.00 -0.04 0.00 0.00 63.50 62.67 2ww3 n PRO 572 Cb 0.20 -1.90 0.01 0.00 -0.04 0.00 0.00 33.50 31.77 2ww3 n PRO 572 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ww3 s ILE 573 N 2.25 4.34 0.19 0.52 -1.16 -1.26 -4.81 121.20 121.27 2ww3 s ILE 573 Ca 0.36 0.07 -0.23 0.00 -0.51 0.00 0.00 60.65 60.33 2ww3 s ILE 573 Cb 0.15 -3.67 0.05 0.00 0.61 0.00 0.00 42.46 39.61 2ww3 s ILE 573 CO -0.01 -0.66 0.70 0.72 -2.81 0.00 0.00 174.94 172.89 2ww3 s PHE 574 N -2.83 -0.36 -0.22 3.50 -0.12 -1.26 -4.93 117.98 111.76 2ww3 s PHE 574 Ca 0.50 0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.46 2ww3 s PHE 574 Cb -0.10 0.62 0.04 0.00 -0.63 0.00 0.00 43.02 42.95 2ww3 s PHE 574 CO 0.44 -0.96 -0.14 0.34 -0.05 0.00 0.00 175.22 174.85 2ww3 s ASP 575 N -2.80 3.72 -0.07 1.98 -1.08 -0.86 -4.99 116.67 112.57 2ww3 s ASP 575 Ca 0.06 -1.01 0.18 0.00 -0.52 0.00 0.00 52.55 51.26 2ww3 s ASP 575 Cb -0.03 -1.46 0.61 0.00 -1.46 0.00 0.00 42.92 40.58 2ww3 s ASP 575 CO -0.04 -0.11 1.52 -0.90 0.52 0.00 0.00 175.17 176.16 2ww3 n ASP 576 N 4.55 4.15 -0.27 -0.34 5.75 -1.26 -2.15 116.55 126.97 2ww3 n ASP 576 Ca -0.17 -2.32 0.26 0.00 -0.01 0.00 0.00 54.79 52.55 2ww3 n ASP 576 Cb 0.46 -0.49 0.60 0.00 -1.03 0.00 0.00 41.12 40.66 2ww3 n ASP 576 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2ww3 h SER 577 N 3.49 0.26 -0.36 -1.12 4.64 -1.91 0.21 113.55 118.76 2ww3 h SER 577 Ca 0.00 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2ww3 h SER 577 Cb 1.21 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2ww3 h SER 577 CO 0.14 0.07 0.24 0.22 -0.87 0.00 0.00 176.83 176.63 2ww3 h TYR 578 N 0.24 0.33 0.00 4.77 3.20 -1.83 -3.06 116.97 120.62 2ww3 h TYR 578 Ca 0.52 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.24 2ww3 h TYR 578 Cb 1.62 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.75 2ww3 h TYR 578 CO -0.00 0.19 -2.17 0.66 -1.64 0.00 0.00 178.16 175.20 2ww3 n TYR 579 N -4.48 0.01 -1.12 -3.82 4.01 0.68 -4.97 117.16 107.46 2ww3 n TYR 579 Ca 0.04 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.74 2ww3 n TYR 579 Cb 0.18 -0.73 -0.02 0.00 -0.31 0.00 0.00 39.34 38.47 2ww3 n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww3 n GLY 580 N 1.48 0.71 3.58 2.72 0.00 -0.79 -4.98 105.19 107.90 2ww3 n GLY 580 Ca -0.17 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 2ww3 n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww3 s GLN 581 N -2.11 0.56 -1.21 1.61 -2.07 -1.26 -5.06 119.66 110.11 2ww3 s GLN 581 Ca 0.00 -0.23 -0.20 0.00 -1.82 0.00 0.00 55.36 53.11 2ww3 s GLN 581 Cb 0.00 0.24 0.06 0.00 -1.09 0.00 0.00 33.01 32.22 2ww3 s GLN 581 CO 0.00 -0.25 1.65 0.08 -1.32 0.00 0.00 175.29 175.46 2ww3 s VAL 582 N -2.72 4.05 0.76 3.63 1.01 -1.26 -4.90 120.40 120.96 2ww3 s VAL 582 Ca 0.09 -1.55 -0.15 0.00 0.00 0.00 0.00 61.98 60.37 2ww3 s VAL 582 Cb -0.00 -5.15 0.02 0.00 0.00 0.00 0.00 36.38 31.25 2ww3 s VAL 582 CO -0.05 -1.99 0.89 2.30 0.00 0.00 0.00 175.10 176.25 2ww3 n ILE 583 N 6.57 2.22 -0.03 2.22 -5.35 -1.26 -4.68 119.36 119.06 2ww3 n ILE 583 Ca 0.44 -0.33 0.15 0.00 -0.27 0.00 0.00 62.75 62.74 2ww3 n ILE 583 Cb 0.48 -1.02 0.59 0.00 -1.74 0.00 0.00 39.64 37.95 2ww3 n ILE 583 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2ww3 h HIS 584 N -0.52 0.23 -0.28 4.28 2.07 -1.77 -0.31 115.15 118.85 2ww3 h HIS 584 Ca -0.46 0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.02 2ww3 h HIS 584 Cb 1.32 -0.08 -0.02 0.00 2.57 0.00 0.00 27.41 31.21 2ww3 h HIS 584 CO 0.40 0.11 0.00 0.93 -3.07 0.00 0.00 177.93 176.30 2ww3 h GLU 585 N 0.22 0.43 -0.07 5.12 3.07 -1.88 0.98 114.58 122.44 2ww3 h GLU 585 Ca 0.25 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.91 2ww3 h GLU 585 Cb 0.70 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2ww3 h GLU 585 CO -0.05 0.45 -0.44 0.82 -1.40 0.00 0.00 179.01 178.40 2ww3 h ILE 586 N 0.42 1.40 0.10 3.13 2.04 -1.39 -2.75 117.51 120.46 2ww3 h ILE 586 Ca 0.09 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.14 2ww3 h ILE 586 Cb 0.27 2.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 2ww3 h ILE 586 CO 0.01 0.54 -0.30 -0.09 0.00 0.00 0.00 178.15 178.30 2ww3 h ARG 587 N -0.04 -0.49 -0.79 2.37 9.65 -1.14 -2.10 114.38 121.83 2ww3 h ARG 587 Ca -0.04 0.03 0.18 0.00 -1.10 0.00 0.00 59.98 59.06 2ww3 h ARG 587 Cb 1.10 0.11 -0.12 0.00 -1.39 0.00 0.00 29.97 29.68 2ww3 h ARG 587 CO 0.09 -0.33 0.22 0.93 2.80 0.00 0.00 179.97 183.68 2ww3 h GLU 588 N -0.51 0.28 -0.72 0.20 5.08 -0.86 0.13 114.58 118.18 2ww3 h GLU 588 Ca 0.04 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2ww3 h GLU 588 Cb 0.55 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 2ww3 h GLU 588 CO -0.19 0.18 0.42 1.98 -1.00 0.00 0.00 179.01 180.40 2ww3 h MET 589 N 0.29 0.74 -0.50 2.33 4.05 -1.10 -3.11 114.93 117.63 2ww3 h MET 589 Ca 0.46 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.75 2ww3 h MET 589 Cb 0.82 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 2ww3 h MET 589 CO -0.54 0.49 -0.02 1.79 0.23 0.00 0.00 176.91 178.86 2ww3 h THR 590 N 0.76 1.27 0.00 -0.77 1.35 -0.13 -3.25 112.91 112.14 2ww3 h THR 590 Ca 0.32 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2ww3 h THR 590 Cb 0.17 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2ww3 h THR 590 CO -0.18 0.39 0.00 -0.37 -0.25 0.00 0.00 175.52 175.12 2ww3 h VAL 591 N 0.76 0.00 0.00 6.82 -1.51 -1.26 -3.21 116.25 117.85 2ww3 h VAL 591 Ca 0.14 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2ww3 h VAL 591 Cb 0.55 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2ww3 h VAL 591 CO 0.03 0.00 -0.43 0.23 -1.23 0.00 0.00 177.57 176.17 2ww3 n MET 592 N -2.77 0.20 -2.60 5.19 2.81 -1.22 -4.94 117.12 113.79 2ww3 n MET 592 Ca 0.03 0.08 -0.17 0.00 -1.81 0.00 0.00 57.70 55.83 2ww3 n MET 592 Cb 0.37 -1.65 0.01 0.00 -0.71 0.00 0.00 33.22 31.24 2ww3 n MET 592 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2ww3 n ASN 593 N -1.95 -5.02 -2.10 7.83 4.05 -1.21 -4.89 115.26 111.96 2ww3 n ASN 593 Ca 0.04 -0.13 -0.27 0.00 0.45 0.00 0.00 54.58 54.68 2ww3 n ASN 593 Cb 0.41 -3.99 0.03 0.00 1.23 0.00 0.00 39.78 37.46 2ww3 n ASN 593 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2ww3 n MET 594 N -2.97 3.41 0.00 1.20 2.81 -1.26 -5.08 117.12 115.22 2ww3 n MET 594 Ca -0.14 -3.98 0.00 0.00 -1.81 0.00 0.00 57.70 51.77 2ww3 n MET 594 Cb 0.62 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 2ww3 n MET 594 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww3 n GLY 595 N -0.75 3.28 0.43 3.03 0.00 -1.16 -1.29 105.19 108.74 2ww3 n GLY 595 Ca 0.48 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.40 2ww3 n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww3 n ASN 596 N 3.64 1.31 -4.57 1.61 3.02 -0.24 -4.27 115.26 115.76 2ww3 n ASN 596 Ca 0.00 -1.57 -0.41 0.00 -0.03 0.00 0.00 54.58 52.57 2ww3 n ASN 596 Cb 0.00 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 2ww3 n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ww3 s TYR 597 N -1.88 1.99 -0.48 3.10 5.04 -0.41 -4.89 117.35 119.82 2ww3 s TYR 597 Ca 0.34 0.57 -0.06 0.00 -2.44 0.00 0.00 57.07 55.49 2ww3 s TYR 597 Cb 0.18 -4.26 0.12 0.00 0.35 0.00 0.00 41.96 38.36 2ww3 s TYR 597 CO 0.28 -2.25 0.32 0.00 -1.34 0.00 0.00 175.55 172.56 2ww3 s ALA 598 N 7.24 3.35 0.29 3.97 0.00 -1.26 -4.67 121.76 130.68 2ww3 s ALA 598 Ca 0.61 -2.66 0.22 0.00 0.00 0.00 0.00 51.96 50.12 2ww3 s ALA 598 Cb -0.13 -2.66 1.00 0.00 0.00 0.00 0.00 23.12 21.33 2ww3 s ALA 598 CO 0.24 -1.90 1.89 1.25 0.00 0.00 0.00 175.76 177.23 2ww3 h HIS 599 N 8.08 0.00 0.00 0.00 2.76 -1.92 0.29 115.15 124.37 2ww3 h HIS 599 Ca -0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 2ww3 h HIS 599 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 2ww3 h HIS 599 CO 0.63 0.26 0.00 0.78 -1.30 0.00 0.00 177.93 178.29 2ww3 h GLY 600 N 1.45 0.00 -6.97 5.26 0.00 -1.93 -3.43 103.07 97.45 2ww3 h GLY 600 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.77 2ww3 h GLY 600 CO 0.03 0.00 1.08 0.21 0.00 0.00 0.00 176.54 177.86 2ww3 s ASN 601 N -4.82 6.22 0.22 0.19 2.47 0.09 -4.75 114.94 114.56 2ww3 s ASN 601 Ca 0.02 0.45 -0.08 0.00 0.42 0.00 0.00 52.86 53.67 2ww3 s ASN 601 Cb 0.09 -2.54 0.35 0.00 -1.45 0.00 0.00 41.25 37.70 2ww3 s ASN 601 CO 0.43 -1.60 1.71 1.56 -3.72 0.00 0.00 177.10 175.47 2ww3 h GLN 602 N 10.86 0.30 -0.28 0.43 7.50 -1.86 -1.80 115.11 130.27 2ww3 h GLN 602 Ca -0.27 -0.02 0.07 0.00 0.50 0.00 0.00 58.65 58.93 2ww3 h GLN 602 Cb 1.09 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.54 2ww3 h GLN 602 CO 1.15 0.20 0.20 -1.35 -1.50 0.00 0.00 178.83 177.52 2ww3 h PRO 603 N 0.31 0.06 -0.01 1.46 0.11 -1.91 -1.19 132.00 130.83 2ww3 h PRO 603 Ca 0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2ww3 h PRO 603 Cb 0.53 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2ww3 h PRO 603 CO -0.41 0.04 -0.15 1.51 -0.21 0.00 0.00 178.00 178.78 2ww3 n ILE 604 N -4.47 0.00 0.27 4.15 3.06 -0.68 -4.47 119.36 117.21 2ww3 n ILE 604 Ca 0.03 -0.18 0.12 0.00 -2.50 0.00 0.00 62.75 60.23 2ww3 n ILE 604 Cb 0.31 0.43 0.74 0.00 0.54 0.00 0.00 39.64 41.66 2ww3 n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2ww3 h GLN 605 N 1.65 0.00 0.00 9.51 4.20 -1.18 -0.16 115.11 129.13 2ww3 h GLN 605 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ww3 h GLN 605 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2ww3 h GLN 605 CO 0.00 0.10 -0.46 -2.39 -0.67 0.00 0.00 178.83 175.41 2ww3 n HIS 606 N -3.80 0.64 -0.21 2.96 1.44 -1.26 -4.61 115.22 110.37 2ww3 n HIS 606 Ca -0.02 0.19 -0.03 0.00 -2.01 0.00 0.00 57.72 55.84 2ww3 n HIS 606 Cb 0.20 -0.72 0.03 0.00 0.12 0.00 0.00 29.99 29.62 2ww3 n HIS 606 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2ww3 h MET 607 N 0.00 -0.10 -0.63 -1.40 -1.53 -1.30 -1.80 114.93 108.17 2ww3 h MET 607 Ca 0.00 0.01 0.12 0.00 -3.44 0.00 0.00 59.70 56.38 2ww3 h MET 607 Cb 0.74 0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.77 2ww3 h MET 607 CO 0.00 -0.06 0.43 0.82 0.14 0.00 0.00 176.91 178.23 2ww3 h ILE 608 N -0.10 0.86 0.00 1.77 2.04 -1.82 0.24 117.51 120.49 2ww3 h ILE 608 Ca 0.27 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2ww3 h ILE 608 Cb 0.53 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2ww3 h ILE 608 CO -0.68 0.07 -0.02 1.88 0.00 0.00 0.00 178.15 179.40 2ww3 h TYR 609 N 0.38 0.00 0.00 1.37 -1.99 -1.66 -2.05 116.97 113.01 2ww3 h TYR 609 Ca 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.02 2ww3 h TYR 609 Cb 0.66 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.39 2ww3 h TYR 609 CO -0.00 0.02 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.06 2ww3 h LEU 610 N 0.00 0.00 -1.90 3.88 3.38 -0.58 -1.22 115.31 118.86 2ww3 h LEU 610 Ca -0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2ww3 h LEU 610 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2ww3 h LEU 610 CO 0.00 0.05 0.34 1.88 0.09 0.00 0.00 178.44 180.80 2ww3 h TYR 611 N 0.00 0.11 -0.91 1.13 0.05 -1.51 -0.81 116.97 115.04 2ww3 h TYR 611 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ww3 h TYR 611 Cb 0.32 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 2ww3 h TYR 611 CO 0.00 0.05 0.55 -0.44 -1.05 0.00 0.00 178.16 177.27 2ww3 h ASP 612 N 0.10 1.09 1.32 3.88 5.19 -1.44 -2.03 116.42 124.53 2ww3 h ASP 612 Ca 0.23 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2ww3 h ASP 612 Cb 0.76 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 2ww3 h ASP 612 CO -0.02 0.83 -0.04 1.88 -3.12 0.00 0.00 179.24 178.77 2ww3 h TYR 613 N 1.25 0.00 -0.52 4.55 -1.99 -1.29 -2.50 116.97 116.46 2ww3 h TYR 613 Ca 0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.06 2ww3 h TYR 613 Cb -0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.68 2ww3 h TYR 613 CO 0.01 0.04 0.00 0.00 -0.00 0.00 0.00 178.16 178.21 2ww3 n ALA 614 N -2.11 2.62 -1.01 3.88 0.00 -0.82 -4.92 120.51 118.14 2ww3 n ALA 614 Ca 0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 53.44 52.41 2ww3 n ALA 614 Cb 0.40 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 2ww3 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ww3 n GLY 615 N 1.20 0.47 2.60 0.00 0.00 -0.94 -4.85 105.19 103.68 2ww3 n GLY 615 Ca 0.19 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2ww3 n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ww3 n GLN 616 N -2.77 2.33 0.30 1.61 6.02 -0.89 -4.53 117.38 119.45 2ww3 n GLN 616 Ca -0.00 -4.31 0.16 0.00 -0.01 0.00 0.00 57.00 52.84 2ww3 n GLN 616 Cb 0.04 -2.02 0.94 0.00 1.02 0.00 0.00 30.24 30.22 2ww3 n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ww3 h PRO 617 N 3.25 0.00 0.00 -1.09 0.13 -1.83 -1.60 132.00 130.86 2ww3 h PRO 617 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 2ww3 h PRO 617 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 2ww3 h PRO 617 CO 0.71 0.02 -0.04 0.11 -0.23 0.00 0.00 178.00 178.57 2ww3 h TRP 618 N 0.00 0.00 -0.00 1.56 0.09 -1.90 -0.93 115.95 114.76 2ww3 h TRP 618 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 58.89 58.71 2ww3 h TRP 618 Cb 0.07 0.00 0.02 0.00 0.08 0.00 0.00 29.16 29.33 2ww3 h TRP 618 CO 0.00 0.04 -1.04 0.87 0.09 0.00 0.00 178.44 178.40 2ww3 h LYS 619 N 0.00 0.71 -0.66 0.12 1.57 -1.67 -2.04 116.57 114.60 2ww3 h LYS 619 Ca -0.00 -0.76 0.08 0.00 -1.87 0.00 0.00 60.65 58.10 2ww3 h LYS 619 Cb 0.10 0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 2ww3 h LYS 619 CO 0.00 1.33 0.32 0.00 -0.57 0.00 0.00 179.45 180.53 2ww3 h ALA 620 N 0.40 0.89 -0.36 3.86 0.00 -1.41 -2.05 119.26 120.60 2ww3 h ALA 620 Ca -0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2ww3 h ALA 620 Cb 1.69 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2ww3 h ALA 620 CO 0.20 -0.06 0.22 1.96 0.00 0.00 0.00 179.25 181.57 2ww3 h GLN 621 N 0.57 0.48 -0.16 0.00 4.20 -1.04 0.13 115.11 119.29 2ww3 h GLN 621 Ca 0.32 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 59.00 2ww3 h GLN 621 Cb 0.31 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 2ww3 h GLN 621 CO -0.25 0.35 0.05 -0.92 -0.67 0.00 0.00 178.83 177.39 2ww3 h TYR 622 N 0.47 0.09 0.17 2.96 3.20 -1.05 -2.65 116.97 120.16 2ww3 h TYR 622 Ca 0.13 0.01 -0.32 0.00 3.14 0.00 0.00 58.73 61.69 2ww3 h TYR 622 Cb -0.01 -0.02 0.03 0.00 1.54 0.00 0.00 36.73 38.28 2ww3 h TYR 622 CO -0.04 0.04 -1.34 -1.49 -1.64 0.00 0.00 178.16 173.69 2ww3 h TRP 623 N 0.13 1.01 -0.99 -3.82 4.06 -1.03 -2.11 115.95 113.20 2ww3 h TRP 623 Ca 0.07 -0.68 0.09 0.00 2.06 0.00 0.00 58.89 60.43 2ww3 h TRP 623 Cb 0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 28.06 2ww3 h TRP 623 CO -0.11 1.52 0.63 -0.07 -3.56 0.00 0.00 178.44 176.85 2ww3 h LEU 624 N 0.23 0.97 -0.20 -4.49 3.38 -0.82 -0.30 115.31 114.08 2ww3 h LEU 624 Ca -0.22 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.56 2ww3 h LEU 624 Cb 2.02 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 42.60 2ww3 h LEU 624 CO 0.26 0.58 -0.79 -0.09 0.09 0.00 0.00 178.44 178.49 2ww3 h ARG 625 N 1.08 0.71 -0.39 1.13 9.65 -1.28 -0.57 114.38 124.71 2ww3 h ARG 625 Ca 0.45 -0.59 0.08 0.00 -1.10 0.00 0.00 59.98 58.82 2ww3 h ARG 625 Cb 0.31 0.13 -0.09 0.00 -1.39 0.00 0.00 29.97 28.93 2ww3 h ARG 625 CO -0.20 1.20 -0.22 1.96 2.80 0.00 0.00 179.97 185.52 2ww3 h GLN 626 N 0.48 -0.14 -0.16 0.20 1.08 -0.99 0.20 115.11 115.78 2ww3 h GLN 626 Ca -0.05 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2ww3 h GLN 626 Cb 1.41 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.86 2ww3 h GLN 626 CO 0.16 -0.09 0.09 0.28 -0.95 0.00 0.00 178.83 178.31 2ww3 h VAL 627 N -0.15 1.10 -0.87 -0.54 2.07 -0.78 0.50 116.25 117.58 2ww3 h VAL 627 Ca 0.19 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2ww3 h VAL 627 Cb 0.45 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2ww3 h VAL 627 CO -0.48 0.09 0.58 0.24 0.02 0.00 0.00 177.57 178.01 2ww3 h MET 628 N 0.15 1.14 0.02 1.57 2.86 -0.99 0.76 114.93 120.43 2ww3 h MET 628 Ca 0.05 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.43 2ww3 h MET 628 Cb 0.07 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 2ww3 h MET 628 CO -0.01 0.75 -0.93 -0.44 1.06 0.00 0.00 176.91 177.35 2ww3 h ASP 629 N 1.17 0.15 0.00 1.22 3.32 -0.68 -3.38 116.42 118.23 2ww3 h ASP 629 Ca 0.32 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 2ww3 h ASP 629 Cb -0.12 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2ww3 h ASP 629 CO -0.07 0.99 -1.40 0.54 -1.72 0.00 0.00 179.24 177.58 2ww3 n ARG 630 N -3.56 2.23 0.00 3.56 1.74 0.14 -4.59 116.66 116.19 2ww3 n ARG 630 Ca -0.03 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.19 2ww3 n ARG 630 Cb 0.85 -1.15 0.34 0.00 -1.02 0.00 0.00 32.46 31.48 2ww3 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww3 n MET 631 N -2.36 0.00 -4.26 5.56 2.81 0.23 -4.80 117.12 114.30 2ww3 n MET 631 Ca -0.10 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.51 2ww3 n MET 631 Cb 0.67 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.52 2ww3 n MET 631 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ww3 s TYR 632 N -3.00 1.86 0.12 2.03 1.51 -1.24 -3.07 117.35 115.56 2ww3 s TYR 632 Ca 0.12 -0.91 0.04 0.00 -1.01 0.00 0.00 57.07 55.30 2ww3 s TYR 632 Cb 0.18 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2ww3 s TYR 632 CO 0.66 -0.51 -0.10 0.95 -1.11 0.00 0.00 175.55 175.44 2ww3 s THR 633 N 1.21 1.03 -1.47 -0.71 -4.23 0.10 -4.80 115.64 106.78 2ww3 s THR 633 Ca -0.03 -1.80 0.28 0.00 -1.18 0.00 0.00 61.69 58.97 2ww3 s THR 633 Cb -0.14 -1.55 0.37 0.00 1.34 0.00 0.00 72.50 72.52 2ww3 s THR 633 CO -0.04 -0.63 1.82 -0.81 -0.54 0.00 0.00 174.62 174.42 2ww3 n PRO 634 N 0.28 0.50 -0.72 3.99 -0.04 -1.26 -4.08 135.00 133.66 2ww3 n PRO 634 Ca -0.14 -0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.07 2ww3 n PRO 634 Cb 0.59 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 2ww3 n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww3 n GLY 635 N 1.34 -0.95 0.26 0.55 0.00 -1.26 -4.73 105.19 100.40 2ww3 n GLY 635 Ca 0.12 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.52 2ww3 n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ww3 h PRO 636 N 0.00 0.00 -1.83 1.61 0.11 -1.91 -1.96 132.00 128.02 2ww3 h PRO 636 Ca -0.14 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.25 2ww3 h PRO 636 Cb 0.39 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.19 2ww3 h PRO 636 CO 0.10 0.09 0.66 -0.40 -0.21 0.00 0.00 178.00 178.24 2ww3 n ASP 637 N -4.03 6.92 0.17 -2.05 3.85 -1.26 -0.37 116.55 119.78 2ww3 n ASP 637 Ca -0.02 -3.81 0.05 0.00 -0.71 0.00 0.00 54.79 50.29 2ww3 n ASP 637 Cb 0.18 -0.93 0.24 0.00 -1.35 0.00 0.00 41.12 39.26 2ww3 n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ww3 h GLY 638 N 2.84 0.00 -2.33 6.12 0.00 -1.45 -3.46 103.07 104.80 2ww3 h GLY 638 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.42 2ww3 h GLY 638 CO 1.32 0.00 -0.21 -0.19 0.00 0.00 0.00 176.54 177.45 2ww3 s TYR 639 N -3.38 2.86 -2.12 5.60 1.51 -0.64 -0.72 117.35 120.47 2ww3 s TYR 639 Ca 0.01 -0.28 0.21 0.00 -1.01 0.00 0.00 57.07 56.01 2ww3 s TYR 639 Cb 0.10 -2.42 0.47 0.00 -0.11 0.00 0.00 41.96 39.99 2ww3 s TYR 639 CO 0.70 -0.48 1.41 0.00 -1.11 0.00 0.00 175.55 176.07 2ww3 n GLY 641 N 1.42 -1.19 3.72 0.00 0.00 -1.22 -4.60 105.19 103.31 2ww3 n GLY 641 Ca 0.20 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 2ww3 n GLY 641 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ww3 n ASP 642 N 0.63 3.71 -0.11 1.61 8.00 -1.26 -2.29 116.55 126.83 2ww3 n ASP 642 Ca 0.00 1.11 -0.12 0.00 0.71 0.00 0.00 54.79 56.48 2ww3 n ASP 642 Cb 0.00 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.12 39.55 2ww3 n ASP 642 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ww3 h GLU 643 N 5.63 0.90 -5.72 -1.24 4.22 -1.60 -3.44 114.58 113.34 2ww3 h GLU 643 Ca -0.45 -0.46 -0.30 0.00 0.08 0.00 0.00 59.36 58.23 2ww3 h GLU 643 Cb 1.22 0.01 0.15 0.00 0.50 0.00 0.00 28.75 30.63 2ww3 h GLU 643 CO 0.86 1.11 -0.84 -0.25 -2.18 0.00 0.00 179.01 177.72 2ww3 n ASP 644 N -4.06 -6.28 -2.87 1.04 8.00 -1.26 -1.69 116.55 109.42 2ww3 n ASP 644 Ca -0.02 -0.77 -0.22 0.00 0.71 0.00 0.00 54.79 54.49 2ww3 n ASP 644 Cb 0.54 -4.57 0.02 0.00 -0.02 0.00 0.00 41.12 37.08 2ww3 n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ww3 n ASN 645 N -2.95 -5.76 0.00 -2.24 4.13 -1.26 -2.25 115.26 104.94 2ww3 n ASN 645 Ca -0.08 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 55.98 2ww3 n ASN 645 Cb 0.60 -4.70 0.00 0.00 -1.54 0.00 0.00 39.78 34.14 2ww3 n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww3 n GLY 646 N -1.34 2.70 0.15 7.41 0.00 -1.24 -4.54 105.19 108.33 2ww3 n GLY 646 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2ww3 n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ww3 h GLN 647 N 1.18 -0.27 0.00 1.61 5.75 -1.52 0.35 115.11 122.21 2ww3 h GLN 647 Ca 0.00 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.48 2ww3 h GLN 647 Cb 0.00 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2ww3 h GLN 647 CO 0.00 0.10 -0.18 1.15 -2.65 0.00 0.00 178.83 177.24 2ww3 h THR 648 N -0.71 0.62 0.19 2.39 2.02 -1.55 0.01 112.91 115.88 2ww3 h THR 648 Ca -0.03 -0.82 -0.25 0.00 0.77 0.00 0.00 66.41 66.08 2ww3 h THR 648 Cb 0.49 1.53 0.03 0.00 -1.74 0.00 0.00 68.15 68.46 2ww3 h THR 648 CO 0.05 0.18 -1.11 0.28 0.37 0.00 0.00 175.52 175.29 2ww3 h SER 649 N 0.00 0.64 0.52 4.18 0.02 -1.71 -3.26 113.55 113.93 2ww3 h SER 649 Ca -0.00 -0.94 -0.06 0.00 -0.84 0.00 0.00 61.79 59.95 2ww3 h SER 649 Cb 0.52 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2ww3 h SER 649 CO 0.02 1.54 -0.29 0.00 -1.14 0.00 0.00 176.83 176.96 2ww3 h ALA 650 N 0.11 1.24 -0.44 3.77 0.00 0.03 -0.09 119.26 123.88 2ww3 h ALA 650 Ca -0.19 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.54 2ww3 h ALA 650 Cb 1.88 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 2ww3 h ALA 650 CO 0.21 0.36 0.02 2.35 0.00 0.00 0.00 179.25 182.19 2ww3 h TRP 651 N 0.00 0.02 -0.10 0.00 7.01 -1.06 -0.80 115.95 121.03 2ww3 h TRP 651 Ca -0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2ww3 h TRP 651 Cb 0.62 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.74 2ww3 h TRP 651 CO 0.00 -0.07 -0.00 -0.92 -2.79 0.00 0.00 178.44 174.66 2ww3 h TYR 652 N 0.14 0.19 -0.10 2.65 5.03 -1.10 0.13 116.97 123.90 2ww3 h TYR 652 Ca 0.22 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.54 2ww3 h TYR 652 Cb 0.31 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.48 2ww3 h TYR 652 CO -0.27 0.43 -0.42 0.28 -1.32 0.00 0.00 178.16 176.86 2ww3 h VAL 653 N -0.11 0.15 -0.09 1.81 2.07 -1.00 0.60 116.25 119.67 2ww3 h VAL 653 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2ww3 h VAL 653 Cb 0.36 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2ww3 h VAL 653 CO 0.01 0.00 -0.12 -0.26 0.02 0.00 0.00 177.57 177.22 2ww3 h PHE 654 N -0.51 -0.29 -0.80 1.57 0.04 -1.16 -2.41 116.94 113.38 2ww3 h PHE 654 Ca 0.07 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2ww3 h PHE 654 Cb 0.63 0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.89 2ww3 h PHE 654 CO -0.47 -0.17 0.35 0.77 -0.60 0.00 0.00 178.31 178.18 2ww3 h SER 655 N -0.16 1.07 0.28 2.17 0.02 0.04 -0.85 113.55 116.12 2ww3 h SER 655 Ca 0.07 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 2ww3 h SER 655 Cb 0.26 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2ww3 h SER 655 CO -0.18 0.93 -0.18 0.00 -1.14 0.00 0.00 176.83 176.26 2ww3 h ALA 656 N 1.23 1.49 0.00 3.77 0.00 0.28 -2.08 119.26 123.95 2ww3 h ALA 656 Ca 0.27 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2ww3 h ALA 656 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ww3 h ALA 656 CO -0.03 0.22 -0.50 -0.07 0.00 0.00 0.00 179.25 178.88 2ww3 h LEU 657 N 0.00 0.00 0.00 0.00 3.38 -0.66 -0.30 115.31 117.73 2ww3 h LEU 657 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ww3 h LEU 657 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ww3 h LEU 657 CO 0.02 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.66 2ww3 n GLY 658 N 0.06 1.29 3.57 0.83 0.00 -0.78 -4.53 105.19 105.62 2ww3 n GLY 658 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2ww3 n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ww3 s PHE 659 N -2.00 -0.41 -0.17 1.61 -0.12 -1.11 0.01 117.98 115.79 2ww3 s PHE 659 Ca 0.00 0.13 -0.15 0.00 -0.05 0.00 0.00 56.93 56.85 2ww3 s PHE 659 Cb 0.00 0.60 0.05 0.00 -0.63 0.00 0.00 43.02 43.04 2ww3 s PHE 659 CO 0.00 -0.93 0.46 -0.47 -0.05 0.00 0.00 175.22 174.23 2ww3 s TYR 660 N -3.72 -0.52 -1.06 3.49 6.14 0.19 -3.85 117.35 118.01 2ww3 s TYR 660 Ca 0.05 1.26 -0.18 0.00 0.64 0.00 0.00 57.07 58.83 2ww3 s TYR 660 Cb -0.02 0.19 -0.08 0.00 0.42 0.00 0.00 41.96 42.47 2ww3 s TYR 660 CO -0.06 -0.26 2.07 -0.35 0.64 0.00 0.00 175.55 177.59 2ww3 n PRO 661 N 2.99 2.08 -0.31 4.97 -0.04 -1.26 0.40 135.00 143.82 2ww3 n PRO 661 Ca -0.14 -2.13 0.14 0.00 -0.04 0.00 0.00 63.50 61.33 2ww3 n PRO 661 Cb 0.57 -3.04 0.32 0.00 -0.04 0.00 0.00 33.50 31.31 2ww3 n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ww3 h VAL 662 N 4.23 0.50 -2.77 0.52 2.07 -1.87 -3.32 116.25 115.60 2ww3 h VAL 662 Ca 0.49 -0.15 -0.61 0.00 0.82 0.00 0.00 66.70 67.25 2ww3 h VAL 662 Cb 0.63 0.01 -0.40 0.00 -1.52 0.00 0.00 31.29 30.01 2ww3 h VAL 662 CO 1.92 0.08 -0.77 0.00 0.02 0.00 0.00 177.57 178.82 2ww3 n PRO 664 N 2.68 1.62 0.00 0.00 -0.02 -1.25 -1.77 135.00 136.26 2ww3 n PRO 664 Ca 0.21 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2ww3 n PRO 664 Cb 0.40 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2ww3 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww3 n GLY 665 N 0.98 1.96 4.01 -1.23 0.00 -1.26 -4.86 105.19 104.79 2ww3 n GLY 665 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 2ww3 n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww3 s THR 666 N -2.10 2.31 -0.27 2.61 -4.23 -0.73 -4.90 115.64 108.34 2ww3 s THR 666 Ca 0.00 -0.80 0.13 0.00 -1.18 0.00 0.00 61.69 59.84 2ww3 s THR 666 Cb 0.00 -2.51 0.80 0.00 1.34 0.00 0.00 72.50 72.12 2ww3 s THR 666 CO 0.00 0.00 1.77 -0.90 -0.54 0.00 0.00 174.62 174.95 2ww3 n ASP 667 N -2.44 5.44 -4.70 3.99 5.75 -1.26 -4.97 116.55 118.36 2ww3 n ASP 667 Ca 0.13 -3.03 -0.33 0.00 -0.01 0.00 0.00 54.79 51.55 2ww3 n ASP 667 Cb 0.61 -0.70 -0.09 0.00 -1.03 0.00 0.00 41.12 39.90 2ww3 n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ww3 s GLU 668 N -2.85 2.87 -0.16 0.11 2.02 -1.26 -0.34 118.70 119.09 2ww3 s GLU 668 Ca 0.55 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.99 2ww3 s GLU 668 Cb 0.43 -2.72 -0.00 0.00 0.10 0.00 0.00 34.13 31.93 2ww3 s GLU 668 CO 0.15 0.65 -0.15 0.71 0.02 0.00 0.00 175.26 176.63 2ww3 s TYR 669 N -1.05 2.78 0.17 1.61 1.51 -0.34 -4.56 117.35 117.47 2ww3 s TYR 669 Ca 0.19 -1.05 -0.18 0.00 -1.01 0.00 0.00 57.07 55.02 2ww3 s TYR 669 Cb -0.12 -1.89 -0.07 0.00 -0.11 0.00 0.00 41.96 39.77 2ww3 s TYR 669 CO 0.09 -0.48 0.64 0.08 -1.11 0.00 0.00 175.55 174.77 2ww3 s VAL 670 N 0.83 4.68 0.17 0.71 1.01 0.16 -0.85 120.40 127.12 2ww3 s VAL 670 Ca -0.05 1.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.80 2ww3 s VAL 670 Cb -0.15 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2ww3 s VAL 670 CO -0.00 0.30 0.85 -0.32 0.00 0.00 0.00 175.10 175.92 2ww3 s MET 671 N -1.77 4.67 0.00 2.72 1.75 0.84 -0.64 119.30 126.87 2ww3 s MET 671 Ca 0.38 1.28 0.00 0.00 -1.25 0.00 0.00 55.69 56.11 2ww3 s MET 671 Cb -0.17 -3.29 0.00 0.00 2.84 0.00 0.00 34.83 34.21 2ww3 s MET 671 CO 0.20 0.48 0.00 0.41 -0.65 0.00 0.00 175.02 175.47 2ww3 n GLY 672 N 1.72 1.72 3.24 2.11 0.00 0.10 -4.92 105.19 109.16 2ww3 n GLY 672 Ca -0.03 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2ww3 n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ww3 s THR 673 N 2.40 -0.15 0.60 2.61 -1.32 -1.25 -4.72 115.64 113.82 2ww3 s THR 673 Ca 0.00 0.12 -0.16 0.00 -1.21 0.00 0.00 61.69 60.44 2ww3 s THR 673 Cb 0.00 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.37 2ww3 s THR 673 CO 0.00 0.05 1.08 -2.16 -2.21 0.00 0.00 174.62 171.38 2ww3 s PRO 674 N 1.64 3.18 -0.13 7.08 0.04 -1.26 -4.31 135.00 141.23 2ww3 s PRO 674 Ca -0.08 1.31 0.17 0.00 0.04 0.00 0.00 61.00 62.45 2ww3 s PRO 674 Cb -0.09 -2.01 -0.25 0.00 0.04 0.00 0.00 34.50 32.19 2ww3 s PRO 674 CO -0.12 -0.94 0.28 -0.11 0.04 0.00 0.00 177.00 176.15 2ww3 n LEU 675 N -2.03 0.22 -4.92 -3.56 7.94 -0.12 -4.93 117.00 109.60 2ww3 n LEU 675 Ca 0.10 0.10 -0.21 0.00 -1.11 0.00 0.00 56.01 54.89 2ww3 n LEU 675 Cb 0.52 0.36 -0.02 0.00 0.53 0.00 0.00 43.42 44.81 2ww3 n LEU 675 CO 0.46 0.40 -0.04 -0.36 -1.11 0.00 0.00 177.39 176.75 2ww3 s PHE 676 N -2.64 3.14 0.26 1.96 0.08 -1.26 -4.84 117.98 114.68 2ww3 s PHE 676 Ca -0.08 -0.17 0.12 0.00 0.12 0.00 0.00 56.93 56.92 2ww3 s PHE 676 Cb 0.07 -1.73 0.45 0.00 -0.57 0.00 0.00 43.02 41.24 2ww3 s PHE 676 CO 0.84 0.24 1.65 0.87 -0.10 0.00 0.00 175.22 178.72 2ww3 h LYS 677 N 1.16 0.00 -2.89 0.44 1.57 -1.24 -3.42 116.57 112.18 2ww3 h LYS 677 Ca -0.47 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 2ww3 h LYS 677 Cb 1.25 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 2ww3 h LYS 677 CO 0.58 0.55 -0.30 0.21 -0.57 0.00 0.00 179.45 179.92 2ww3 s LYS 678 N -3.65 0.45 -0.03 3.15 2.20 -0.95 -0.97 119.74 119.95 2ww3 s LYS 678 Ca -0.01 0.41 0.01 0.00 -0.36 0.00 0.00 55.97 56.02 2ww3 s LYS 678 Cb 0.12 0.21 0.02 0.00 -1.51 0.00 0.00 37.83 36.68 2ww3 s LYS 678 CO 0.74 -0.07 -0.03 0.00 -0.36 0.00 0.00 175.35 175.64 2ww3 s ALA 679 N 0.01 0.43 -0.16 3.13 0.00 -0.99 -1.21 121.76 122.97 2ww3 s ALA 679 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.95 2ww3 s ALA 679 Cb -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2ww3 s ALA 679 CO 0.01 -0.00 -0.18 0.99 0.00 0.00 0.00 175.76 176.58 2ww3 s THR 680 N 0.65 2.32 -0.18 0.00 2.01 0.37 -0.56 115.64 120.25 2ww3 s THR 680 Ca -0.07 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 2ww3 s THR 680 Cb -0.10 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 2ww3 s THR 680 CO -0.01 0.53 0.19 -0.76 -0.69 0.00 0.00 174.62 173.88 2ww3 s LEU 681 N 1.04 4.24 -0.35 4.42 1.43 -0.36 -1.07 118.68 128.02 2ww3 s LEU 681 Ca -0.01 0.36 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2ww3 s LEU 681 Cb -0.14 -2.20 0.06 0.00 0.03 0.00 0.00 46.19 43.93 2ww3 s LEU 681 CO -0.05 0.17 0.13 -1.00 0.23 0.00 0.00 176.35 175.82 2ww3 s HIS 682 N 0.26 3.31 0.56 0.29 3.76 0.22 -0.63 115.29 123.07 2ww3 s HIS 682 Ca 0.12 -1.63 -0.11 0.00 -0.15 0.00 0.00 55.06 53.28 2ww3 s HIS 682 Cb -0.12 -2.48 -0.05 0.00 1.11 0.00 0.00 32.58 31.04 2ww3 s HIS 682 CO 0.01 -0.79 0.96 -0.06 -0.85 0.00 0.00 174.74 174.01 2ww3 s PHE 683 N 1.35 3.57 0.13 1.40 0.08 -0.30 -4.81 117.98 119.39 2ww3 s PHE 683 Ca -0.00 1.24 0.34 0.00 0.12 0.00 0.00 56.93 58.63 2ww3 s PHE 683 Cb -0.21 -2.65 1.45 0.00 -0.57 0.00 0.00 43.02 41.04 2ww3 s PHE 683 CO 0.01 -0.51 2.01 0.93 -0.10 0.00 0.00 175.22 177.56 2ww3 h GLU 684 N 0.16 0.00 0.00 0.44 5.08 -1.86 -1.27 114.58 117.12 2ww3 h GLU 684 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2ww3 h GLU 684 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ww3 h GLU 684 CO 0.62 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.90 2ww3 n ASN 685 N -3.05 0.00 0.00 1.42 2.04 -1.26 -4.89 115.26 109.52 2ww3 n ASN 685 Ca 0.00 -1.13 0.00 0.00 -0.44 0.00 0.00 54.58 53.01 2ww3 n ASN 685 Cb 0.28 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.53 2ww3 n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ww3 n GLY 686 N 0.44 1.40 3.91 4.83 0.00 -0.48 -5.05 105.19 110.25 2ww3 n GLY 686 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2ww3 n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww3 s ASN 687 N -2.97 6.30 0.07 1.61 0.01 -1.26 -4.90 114.94 113.81 2ww3 s ASN 687 Ca 0.00 0.80 0.05 0.00 -0.71 0.00 0.00 52.86 53.00 2ww3 s ASN 687 Cb 0.00 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 2ww3 s ASN 687 CO 0.00 -0.46 -0.15 -0.44 -1.51 0.00 0.00 177.10 174.54 2ww3 s SER 688 N -3.94 1.79 -0.13 -1.22 0.01 -1.26 -1.15 113.70 107.80 2ww3 s SER 688 Ca 0.45 -0.59 -0.00 0.00 1.31 0.00 0.00 55.95 57.12 2ww3 s SER 688 Cb -0.10 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.08 2ww3 s SER 688 CO 0.40 -0.04 -0.08 -0.22 0.41 0.00 0.00 173.24 173.72 2ww3 s LEU 689 N -1.64 1.34 -0.17 2.44 2.96 0.20 -1.59 118.68 122.23 2ww3 s LEU 689 Ca -0.00 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.37 2ww3 s LEU 689 Cb -0.10 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 2ww3 s LEU 689 CO 0.02 -0.12 0.32 -0.69 -1.32 0.00 0.00 176.35 174.56 2ww3 s VAL 690 N 1.66 5.28 -0.40 1.68 1.01 -0.28 -1.22 120.40 128.13 2ww3 s VAL 690 Ca 0.04 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 2ww3 s VAL 690 Cb -0.13 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.67 2ww3 s VAL 690 CO -0.09 0.36 0.22 -0.63 0.00 0.00 0.00 175.10 174.96 2ww3 s ILE 691 N 0.64 3.87 -0.28 2.22 1.01 0.28 -0.12 121.20 128.82 2ww3 s ILE 691 Ca 0.17 -1.54 -0.09 0.00 0.00 0.00 0.00 60.65 59.19 2ww3 s ILE 691 Cb -0.13 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 2ww3 s ILE 691 CO 0.05 -0.50 0.14 -0.62 0.00 0.00 0.00 174.94 174.01 2ww3 s ASP 692 N 1.95 5.60 -0.42 3.58 2.15 0.21 -2.34 116.67 127.41 2ww3 s ASP 692 Ca 0.03 -0.20 0.09 0.00 0.43 0.00 0.00 52.55 52.90 2ww3 s ASP 692 Cb -0.23 -2.03 0.30 0.00 -0.30 0.00 0.00 42.92 40.67 2ww3 s ASP 692 CO 0.00 -0.08 0.67 0.00 -0.17 0.00 0.00 175.17 175.59 2ww3 n ALA 693 N 5.00 2.59 0.31 3.66 0.00 -0.14 0.89 120.51 132.82 2ww3 n ALA 693 Ca -0.15 -3.64 0.17 0.00 0.00 0.00 0.00 53.44 49.83 2ww3 n ALA 693 Cb 0.51 -0.86 1.00 0.00 0.00 0.00 0.00 19.45 20.10 2ww3 n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ww3 h PRO 694 N 3.51 0.00 -0.61 0.00 0.13 -1.77 -0.38 132.00 132.88 2ww3 h PRO 694 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2ww3 h PRO 694 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2ww3 h PRO 694 CO 0.54 0.01 0.00 -1.71 -0.23 0.00 0.00 178.00 176.61 2ww3 n ASN 695 N -3.60 3.61 -4.75 1.44 5.15 -1.26 -4.96 115.26 110.88 2ww3 n ASN 695 Ca -0.03 -2.23 -0.37 0.00 -0.60 0.00 0.00 54.58 51.35 2ww3 n ASN 695 Cb 0.09 -0.47 0.03 0.00 -0.53 0.00 0.00 39.78 38.90 2ww3 n ASN 695 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ww3 s ASN 696 N -0.87 5.25 0.02 1.20 3.84 -0.15 -4.73 114.94 119.50 2ww3 s ASN 696 Ca 0.40 2.51 -0.27 0.00 0.21 0.00 0.00 52.86 55.70 2ww3 s ASN 696 Cb 0.24 -2.61 0.09 0.00 -0.55 0.00 0.00 41.25 38.42 2ww3 s ASN 696 CO 0.22 -1.56 1.24 -0.94 -2.79 0.00 0.00 177.10 173.26 2ww3 s SER 697 N -1.37 0.01 0.29 -4.21 1.04 -1.25 -4.87 113.70 103.34 2ww3 s SER 697 Ca 0.75 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.89 2ww3 s SER 697 Cb -0.34 0.22 0.52 0.00 0.10 0.00 0.00 66.02 66.52 2ww3 s SER 697 CO 0.38 -0.43 1.89 0.74 0.98 0.00 0.00 173.24 176.80 2ww3 h THR 698 N 2.00 1.03 0.00 2.02 2.02 -1.96 -2.76 112.91 115.27 2ww3 h THR 698 Ca -0.23 -0.36 -0.21 0.00 0.77 0.00 0.00 66.41 66.38 2ww3 h THR 698 Cb 1.19 -0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2ww3 h THR 698 CO 0.32 0.19 -1.51 -0.62 0.37 0.00 0.00 175.52 174.27 2ww3 n GLU 699 N -4.52 0.62 -2.92 6.66 4.71 -1.26 -4.63 120.64 119.31 2ww3 n GLU 699 Ca 0.15 0.25 -0.44 0.00 -0.01 0.00 0.00 57.16 57.12 2ww3 n GLU 699 Cb 0.24 -1.81 0.00 0.00 -1.01 0.00 0.00 31.44 28.86 2ww3 n GLU 699 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2ww3 n ASN 700 N -2.95 5.33 -0.32 1.62 5.03 -1.04 -4.05 115.26 118.88 2ww3 n ASN 700 Ca -0.12 -3.04 0.06 0.00 0.87 0.00 0.00 54.58 52.35 2ww3 n ASN 700 Cb 0.91 -1.50 0.01 0.00 -1.02 0.00 0.00 39.78 38.18 2ww3 n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2ww3 n PHE 701 N 4.54 0.00 -3.20 3.10 1.16 -1.05 -3.74 117.46 118.26 2ww3 n PHE 701 Ca 0.34 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.57 2ww3 n PHE 701 Cb 0.40 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.21 2ww3 n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2ww3 s TYR 702 N -1.33 3.58 -0.41 2.97 2.02 -0.15 -4.74 117.35 119.29 2ww3 s TYR 702 Ca 0.11 1.23 -0.20 0.00 -0.37 0.00 0.00 57.07 57.84 2ww3 s TYR 702 Cb 0.09 -2.51 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 2ww3 s TYR 702 CO 0.25 0.33 0.61 0.42 -1.57 0.00 0.00 175.55 175.58 2ww3 s ILE 703 N -1.59 4.88 -0.04 2.71 1.01 -1.26 -0.77 121.20 126.13 2ww3 s ILE 703 Ca 0.43 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 61.09 2ww3 s ILE 703 Cb -0.15 -4.13 -0.28 0.00 0.01 0.00 0.00 42.46 37.90 2ww3 s ILE 703 CO 0.20 -0.47 0.94 -0.78 0.00 0.00 0.00 174.94 174.83 2ww3 h ASP 704 N 8.71 0.42 -5.04 3.58 3.58 -1.20 -3.40 116.42 123.08 2ww3 h ASP 704 Ca -0.26 -0.90 0.02 0.00 0.42 0.00 0.00 57.03 56.31 2ww3 h ASP 704 Cb 1.10 -0.14 -0.08 0.00 1.72 0.00 0.00 39.33 41.94 2ww3 h ASP 704 CO 0.86 1.28 0.16 -0.94 -2.88 0.00 0.00 179.24 177.72 2ww3 s SER 705 N -6.80 -0.32 0.02 2.28 1.04 -1.18 -4.90 113.70 103.84 2ww3 s SER 705 Ca -0.14 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.83 2ww3 s SER 705 Cb 0.01 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 2ww3 s SER 705 CO 0.81 -1.18 -0.04 -0.04 0.98 0.00 0.00 173.24 173.77 2ww3 s MET 706 N -3.88 0.29 -0.01 4.02 -1.94 -1.26 -0.89 119.30 115.65 2ww3 s MET 706 Ca 0.09 -0.41 0.02 0.00 -1.71 0.00 0.00 55.69 53.68 2ww3 s MET 706 Cb -0.03 -0.09 -0.01 0.00 2.01 0.00 0.00 34.83 36.71 2ww3 s MET 706 CO 0.00 0.01 -0.07 -1.54 -0.01 0.00 0.00 175.02 173.41 2ww3 s SER 707 N -0.88 0.82 -0.31 3.03 1.04 -0.35 -1.15 113.70 115.89 2ww3 s SER 707 Ca -0.07 -0.13 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 2ww3 s SER 707 Cb -0.06 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.03 2ww3 s SER 707 CO -0.00 0.09 0.01 0.12 0.98 0.00 0.00 173.24 174.44 2ww3 s PHE 708 N -0.16 3.33 -1.38 5.02 2.19 0.74 -0.48 117.98 127.23 2ww3 s PHE 708 Ca 0.03 -2.03 -0.00 0.00 0.33 0.00 0.00 56.93 55.25 2ww3 s PHE 708 Cb -0.03 -2.26 -0.00 0.00 -1.31 0.00 0.00 43.02 39.43 2ww3 s PHE 708 CO -0.00 -0.84 0.47 0.09 1.83 0.00 0.00 175.22 176.77 2ww3 n ASN 709 N 4.58 -0.52 0.00 6.13 5.03 0.10 -1.50 115.26 129.09 2ww3 n ASN 709 Ca -0.11 -0.98 0.00 0.00 0.87 0.00 0.00 54.58 54.36 2ww3 n ASN 709 Cb 0.43 -3.22 0.00 0.00 -1.02 0.00 0.00 39.78 35.96 2ww3 n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww3 n GLY 710 N -1.91 2.25 3.74 7.41 0.00 -1.26 -5.00 105.19 110.42 2ww3 n GLY 710 Ca -0.31 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2ww3 n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww3 s ALA 711 N -0.65 3.35 0.38 4.61 0.00 -0.56 -4.98 121.76 123.91 2ww3 s ALA 711 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 2ww3 s ALA 711 Cb 0.00 -3.05 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 2ww3 s ALA 711 CO 0.00 0.07 1.21 -3.47 0.00 0.00 0.00 175.76 173.57 2ww3 n ASP 712 N 2.66 2.30 -3.61 0.00 -0.08 -1.26 -0.19 116.55 116.37 2ww3 n ASP 712 Ca -0.02 1.14 -0.29 0.00 -1.51 0.00 0.00 54.79 54.11 2ww3 n ASP 712 Cb 0.50 -1.45 -0.13 0.00 2.34 0.00 0.00 41.12 42.38 2ww3 n ASP 712 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2ww3 s HIS 713 N -1.16 1.39 -1.38 -0.67 5.65 -0.30 -4.73 115.29 114.09 2ww3 s HIS 713 Ca 0.59 -1.96 0.24 0.00 0.25 0.00 0.00 55.06 54.18 2ww3 s HIS 713 Cb -0.55 -1.46 0.33 0.00 -1.18 0.00 0.00 32.58 29.72 2ww3 s HIS 713 CO 0.59 -0.82 1.29 0.25 -0.65 0.00 0.00 174.74 175.41 2ww3 n THR 714 N 3.99 0.00 -2.03 0.89 -2.24 -1.26 -4.10 114.28 109.53 2ww3 n THR 714 Ca 0.08 -0.08 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 2ww3 n THR 714 Cb 0.37 0.62 0.02 0.00 -2.10 0.00 0.00 70.33 69.24 2ww3 n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww3 s LYS 715 N -2.78 3.37 -0.11 -0.78 1.02 -1.26 -3.65 119.74 115.56 2ww3 s LYS 715 Ca 0.15 1.96 0.03 0.00 0.02 0.00 0.00 55.97 58.14 2ww3 s LYS 715 Cb 0.18 -2.26 0.25 0.00 -0.52 0.00 0.00 37.83 35.48 2ww3 s LYS 715 CO 0.67 -0.92 1.07 0.09 -0.92 0.00 0.00 175.35 175.34 2ww3 n ASN 716 N -0.90 2.84 -3.60 2.83 4.13 0.49 -4.87 115.26 116.18 2ww3 n ASN 716 Ca 0.10 -2.40 -0.15 0.00 1.68 0.00 0.00 54.58 53.81 2ww3 n ASN 716 Cb 0.47 -0.58 -0.06 0.00 -1.54 0.00 0.00 39.78 38.07 2ww3 n ASN 716 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2ww3 s TYR 717 N -1.37 -0.45 0.21 3.10 1.13 -1.26 -0.11 117.35 118.60 2ww3 s TYR 717 Ca 0.18 0.68 0.08 0.00 -1.41 0.00 0.00 57.07 56.60 2ww3 s TYR 717 Cb 0.14 0.31 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 2ww3 s TYR 717 CO 0.05 -0.57 -0.01 -0.51 -2.51 0.00 0.00 175.55 172.00 2ww3 s LEU 718 N -1.50 3.24 -0.11 -3.49 1.43 -0.03 -4.95 118.68 113.28 2ww3 s LEU 718 Ca -0.10 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2ww3 s LEU 718 Cb -0.02 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2ww3 s LEU 718 CO 0.04 0.05 0.00 -0.13 0.23 0.00 0.00 176.35 176.55 2ww3 s ARG 719 N -3.25 3.21 0.20 1.70 0.52 -1.26 -1.20 118.95 118.86 2ww3 s ARG 719 Ca 0.29 -0.42 -0.13 0.00 -0.52 0.00 0.00 55.73 54.94 2ww3 s ARG 719 Cb -0.08 -2.86 0.21 0.00 0.52 0.00 0.00 34.95 32.75 2ww3 s ARG 719 CO 0.19 0.58 1.66 1.25 0.02 0.00 0.00 175.30 179.00 2ww3 h HIS 720 N 5.60 -0.13 -0.87 -0.53 -0.00 -1.06 0.11 115.15 118.26 2ww3 h HIS 720 Ca -0.46 0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.00 2ww3 h HIS 720 Cb 1.19 0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 28.69 2ww3 h HIS 720 CO 0.61 -0.17 0.55 0.93 -0.00 0.00 0.00 177.93 179.85 2ww3 h GLU 721 N 0.07 1.03 -0.33 5.26 3.07 -1.95 -1.38 114.58 120.34 2ww3 h GLU 721 Ca 0.27 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.97 2ww3 h GLU 721 Cb 0.42 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2ww3 h GLU 721 CO -0.50 0.68 -0.18 -0.44 -1.40 0.00 0.00 179.01 177.17 2ww3 h ASP 722 N 1.06 0.74 -0.25 1.42 3.32 -1.62 -2.92 116.42 118.18 2ww3 h ASP 722 Ca 0.36 -0.42 0.04 0.00 0.02 0.00 0.00 57.03 57.03 2ww3 h ASP 722 Cb 0.05 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2ww3 h ASP 722 CO -0.13 0.99 0.01 -0.07 -1.72 0.00 0.00 179.24 178.32 2ww3 h LEU 723 N 0.49 -0.07 -2.24 1.55 3.38 -0.17 -2.20 115.31 116.04 2ww3 h LEU 723 Ca 0.07 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2ww3 h LEU 723 Cb 0.73 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2ww3 h LEU 723 CO 0.05 -0.01 0.23 -0.26 0.09 0.00 0.00 178.44 178.54 2ww3 h PHE 724 N 0.09 0.00 0.00 1.13 -1.00 -1.22 0.16 116.94 116.10 2ww3 h PHE 724 Ca 0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.90 2ww3 h PHE 724 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2ww3 h PHE 724 CO -0.19 0.00 0.00 0.87 -1.61 0.00 0.00 178.31 177.38 2ww3 h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.20 -3.44 116.57 115.01 2ww3 h LYS 725 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2ww3 h LYS 725 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2ww3 h LYS 725 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2ww3 n GLY 726 N -0.11 -1.63 0.00 3.86 0.00 0.56 -4.87 105.19 103.01 2ww3 n GLY 726 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2ww3 n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 727 N 0.00 0.56 2.85 -0.02 0.00 -0.62 -4.91 105.19 103.05 2ww3 n GLY 727 Ca 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.21 2ww3 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ww3 s THR 728 N 0.00 -0.03 -0.20 2.61 2.01 -1.26 -1.13 115.64 117.64 2ww3 s THR 728 Ca 0.00 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 2ww3 s THR 728 Cb 0.00 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.40 2ww3 s THR 728 CO 0.00 0.05 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.33 2ww3 s ILE 729 N 0.63 3.75 -0.21 1.82 1.01 0.82 0.01 121.20 129.02 2ww3 s ILE 729 Ca -0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2ww3 s ILE 729 Cb -0.07 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 2ww3 s ILE 729 CO -0.02 0.44 0.09 -0.54 0.00 0.00 0.00 174.94 174.91 2ww3 s LYS 730 N 1.02 3.93 -0.26 2.79 1.02 0.36 0.65 119.74 129.25 2ww3 s LYS 730 Ca 0.01 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.65 2ww3 s LYS 730 Cb -0.14 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2ww3 s LYS 730 CO 0.01 0.11 -0.08 0.08 -0.92 0.00 0.00 175.35 174.55 2ww3 s VAL 731 N 0.84 2.58 -0.44 3.17 1.01 0.26 -1.22 120.40 126.60 2ww3 s VAL 731 Ca 0.05 -1.30 -0.27 0.00 0.00 0.00 0.00 61.98 60.46 2ww3 s VAL 731 Cb -0.13 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.88 2ww3 s VAL 731 CO 0.02 0.09 1.01 -0.62 0.00 0.00 0.00 175.10 175.61 2ww3 s ASP 732 N 1.23 6.60 0.26 3.32 2.15 -0.06 -4.24 116.67 125.92 2ww3 s ASP 732 Ca -0.04 0.37 -0.08 0.00 0.43 0.00 0.00 52.55 53.23 2ww3 s ASP 732 Cb -0.18 -2.49 -0.07 0.00 -0.30 0.00 0.00 42.92 39.88 2ww3 s ASP 732 CO -0.05 -1.09 0.57 -0.04 -0.17 0.00 0.00 175.17 174.39 2ww3 s MET 733 N 3.96 3.76 0.03 4.34 -1.94 -1.26 -0.65 119.30 127.53 2ww3 s MET 733 Ca 0.42 0.22 -0.20 0.00 -1.71 0.00 0.00 55.69 54.42 2ww3 s MET 733 Cb -0.09 -2.63 0.04 0.00 2.01 0.00 0.00 34.83 34.16 2ww3 s MET 733 CO 0.27 0.26 0.44 0.45 -0.01 0.00 0.00 175.02 176.43 2ww3 s SER 734 N -2.63 -0.34 0.00 3.03 0.15 0.05 -4.80 113.70 109.15 2ww3 s SER 734 Ca 0.47 0.12 0.31 0.00 0.70 0.00 0.00 55.95 57.55 2ww3 s SER 734 Cb -0.11 0.43 1.78 0.00 -1.71 0.00 0.00 66.02 66.41 2ww3 s SER 734 CO 0.24 -0.64 2.16 -0.46 1.20 0.00 0.00 173.24 175.74 2ww3 n ASN 735 N 0.64 0.17 -4.29 5.45 6.94 -1.26 -0.98 115.26 121.94 2ww3 n ASN 735 Ca -0.19 -1.07 -0.32 0.00 -0.02 0.00 0.00 54.58 52.98 2ww3 n ASN 735 Cb 0.59 -0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.85 2ww3 n ASN 735 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2ww3 s ARG 736 N -2.00 2.54 0.39 -3.83 0.52 -1.26 -4.92 118.95 110.39 2ww3 s ARG 736 Ca 0.46 -0.89 -0.26 0.00 -0.52 0.00 0.00 55.73 54.52 2ww3 s ARG 736 Cb 0.22 -2.18 -0.09 0.00 0.52 0.00 0.00 34.95 33.42 2ww3 s ARG 736 CO 0.36 0.40 1.21 -1.25 0.02 0.00 0.00 175.30 176.04 2ww3 s PRO 737 N -0.21 4.10 -0.57 3.54 0.04 -1.26 -4.79 135.00 135.84 2ww3 s PRO 737 Ca -0.02 1.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 2ww3 s PRO 737 Cb -0.13 -2.76 0.12 0.00 0.04 0.00 0.00 34.50 31.77 2ww3 s PRO 737 CO 0.03 -0.31 0.60 1.21 0.04 0.00 0.00 177.00 178.57 2ww3 s ASN 738 N -0.97 6.20 0.00 6.66 3.84 -1.26 -4.92 114.94 124.48 2ww3 s ASN 738 Ca 0.56 -1.65 0.11 0.00 0.21 0.00 0.00 52.86 52.08 2ww3 s ASN 738 Cb -0.33 -2.25 0.49 0.00 -0.55 0.00 0.00 41.25 38.61 2ww3 s ASN 738 CO 0.42 -0.97 1.31 0.18 -2.79 0.00 0.00 177.10 175.25 2ww3 n LEU 739 N 5.71 0.00 -0.00 3.21 4.32 -1.26 -2.96 117.00 126.01 2ww3 n LEU 739 Ca -0.11 0.42 0.09 0.00 -0.02 0.00 0.00 56.01 56.39 2ww3 n LEU 739 Cb 0.41 -0.42 -0.13 0.00 -1.62 0.00 0.00 43.42 41.66 2ww3 n LEU 739 CO 0.56 -0.27 -0.36 0.59 -1.22 0.00 0.00 177.39 176.68 2ww3 n ASN 740 N -1.42 0.73 -4.75 -1.43 3.02 -1.26 -4.91 115.26 105.23 2ww3 n ASN 740 Ca 0.04 -0.50 -0.39 0.00 -0.03 0.00 0.00 54.58 53.69 2ww3 n ASN 740 Cb 0.11 1.41 -0.05 0.00 -0.61 0.00 0.00 39.78 40.64 2ww3 n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ww3 s ARG 741 N -3.05 4.35 -0.75 3.52 3.52 -1.16 -4.36 118.95 121.03 2ww3 s ARG 741 Ca 0.00 0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 56.32 2ww3 s ARG 741 Cb 0.13 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2ww3 s ARG 741 CO 0.79 0.31 0.65 0.41 -0.81 0.00 0.00 175.30 176.66 2ww3 n GLY 742 N 2.56 0.13 0.04 8.12 0.00 -1.24 -4.75 105.19 110.05 2ww3 n GLY 742 Ca -0.06 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.85 2ww3 n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww3 n THR 743 N -3.87 0.00 -3.07 2.61 -2.24 -1.26 -4.58 114.28 101.87 2ww3 n THR 743 Ca 0.00 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.18 2ww3 n THR 743 Cb 0.53 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 2ww3 n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww3 s LYS 744 N -1.97 4.21 0.30 -0.78 1.02 -1.26 -4.82 119.74 116.44 2ww3 s LYS 744 Ca 0.05 0.86 0.05 0.00 0.02 0.00 0.00 55.97 56.95 2ww3 s LYS 744 Cb 0.09 -2.72 0.81 0.00 -0.52 0.00 0.00 37.83 35.49 2ww3 s LYS 744 CO 0.43 0.30 1.62 1.49 -0.92 0.00 0.00 175.35 178.28 2ww3 h GLU 745 N 3.01 0.14 0.00 1.68 4.22 -1.99 0.43 114.58 122.07 2ww3 h GLU 745 Ca -0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 58.95 2ww3 h GLU 745 Cb 1.19 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2ww3 h GLU 745 CO 0.65 0.09 -0.03 1.05 -2.18 0.00 0.00 179.01 178.59 2ww3 h GLU 746 N 0.14 0.00 -0.00 1.92 4.11 -2.01 -1.94 114.58 116.80 2ww3 h GLU 746 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.04 2ww3 h GLU 746 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2ww3 h GLU 746 CO -0.73 0.03 -0.06 -0.25 0.07 0.00 0.00 179.01 178.07 2ww3 n ASP 747 N -3.28 0.06 -4.77 3.06 8.00 0.15 -4.88 116.55 114.89 2ww3 n ASP 747 Ca -0.02 0.40 -0.39 0.00 0.71 0.00 0.00 54.79 55.49 2ww3 n ASP 747 Cb 0.18 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 2ww3 n ASP 747 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ww3 s MET 748 N -2.99 4.64 1.18 -1.24 -1.94 -0.73 -0.38 119.30 117.84 2ww3 s MET 748 Ca 0.14 1.26 -0.19 0.00 -1.71 0.00 0.00 55.69 55.19 2ww3 s MET 748 Cb 0.19 -3.19 0.28 0.00 2.01 0.00 0.00 34.83 34.11 2ww3 s MET 748 CO 0.55 0.51 1.13 -1.25 -0.01 0.00 0.00 175.02 175.96 2ww3 s PRO 749 N -1.31 -1.05 0.33 2.03 0.05 -1.26 -4.92 135.00 128.87 2ww3 s PRO 749 Ca 0.39 -0.11 -0.29 0.00 0.05 0.00 0.00 61.00 61.04 2ww3 s PRO 749 Cb -0.23 -1.62 -0.11 0.00 0.05 0.00 0.00 34.50 32.59 2ww3 s PRO 749 CO 0.28 -3.59 1.52 -0.47 0.05 0.00 0.00 177.00 174.78 2ww3 s TYR 750 N -3.10 2.70 -0.03 0.56 5.04 -1.26 -5.01 117.35 116.25 2ww3 s TYR 750 Ca 0.71 1.02 0.02 0.00 -2.44 0.00 0.00 57.07 56.38 2ww3 s TYR 750 Cb -0.09 -4.01 0.01 0.00 0.35 0.00 0.00 41.96 38.22 2ww3 s TYR 750 CO 0.56 -3.15 -0.06 -1.12 -1.34 0.00 0.00 175.55 170.44 2ww3 s SER 751 N 0.12 0.96 0.33 4.32 0.01 -1.26 -4.59 113.70 113.58 2ww3 s SER 751 Ca 0.57 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.74 2ww3 s SER 751 Cb -0.46 -0.37 0.68 0.00 0.21 0.00 0.00 66.02 66.08 2ww3 s SER 751 CO 0.55 -0.01 1.88 0.15 0.41 0.00 0.00 173.24 176.22 2ww3 h PHE 752 N 6.81 0.95 0.00 2.43 3.57 0.08 -0.50 116.94 130.27 2ww3 h PHE 752 Ca -0.36 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.16 2ww3 h PHE 752 Cb 1.16 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 2ww3 h PHE 752 CO 0.47 0.40 -0.05 0.66 -2.23 0.00 0.00 178.31 177.57 2ww3 h SER 753 N 0.85 0.00 0.41 0.41 4.64 -1.92 -0.88 113.55 117.06 2ww3 h SER 753 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2ww3 h SER 753 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2ww3 h SER 753 CO -0.20 0.05 -0.59 0.29 -0.87 0.00 0.00 176.83 175.50 2ww3 n LYS 754 N -3.82 0.00 0.00 4.77 5.02 -0.21 -5.10 118.16 118.82 2ww3 n LYS 754 Ca -0.03 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.42 2ww3 n LYS 754 Cb 0.14 -1.50 0.94 0.00 -0.02 0.00 0.00 35.03 34.58 2ww3 n LYS 754 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97