#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 5.80 -0.03 4.39 2.15 -1.26 -4.97 116.67 122.75 2ww3 s ASP 21 Ca 0.00 0.24 0.09 0.00 0.43 0.00 0.00 52.55 53.31 2ww3 s ASP 21 Cb 0.00 -1.86 -0.14 0.00 -0.30 0.00 0.00 42.92 40.62 2ww3 s ASP 21 CO 0.00 0.32 0.17 0.79 -0.17 0.00 0.00 175.17 176.28 2ww3 n TRP 22 N 2.58 0.00 -0.06 -5.34 8.01 -1.26 -4.62 117.44 116.74 2ww3 n TRP 22 Ca -0.18 0.00 0.16 0.00 -1.31 0.00 0.00 57.50 56.16 2ww3 n TRP 22 Cb 0.54 -0.26 0.57 0.00 -2.01 0.00 0.00 31.31 30.15 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 0.81 0.00 -0.99 1.35 -1.93 -0.34 112.91 111.82 2ww3 h THR 23 Ca -0.04 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2ww3 h THR 23 Cb 0.64 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2ww3 h THR 23 CO 0.00 0.05 0.35 0.06 -0.25 0.00 0.00 175.52 175.73 2ww3 h GLN 24 N 0.25 0.00 -0.00 4.72 3.07 -2.02 -0.62 115.11 120.51 2ww3 h GLN 24 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.02 2ww3 h GLN 24 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.34 2ww3 h GLN 24 CO -0.06 0.00 -0.89 0.66 0.09 0.00 0.00 178.83 178.63 2ww3 n TYR 25 N -2.88 0.00 -2.75 0.06 4.01 -0.14 -4.91 117.16 110.56 2ww3 n TYR 25 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 2ww3 n TYR 25 Cb 0.40 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 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 -2.92 4.85 -0.39 -0.72 1.01 -0.24 -4.17 120.40 117.81 2ww3 s VAL 26 Ca 0.10 1.97 -0.04 0.00 0.00 0.00 0.00 61.98 64.00 2ww3 s VAL 26 Cb 0.16 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 32.36 2ww3 s VAL 26 CO 0.82 0.10 0.18 0.21 0.00 0.00 0.00 175.10 176.40 2ww3 s ASN 27 N 1.04 5.28 0.26 3.32 2.47 -1.26 -4.85 114.94 121.20 2ww3 s ASN 27 Ca 0.48 -1.76 0.23 0.00 0.42 0.00 0.00 52.86 52.23 2ww3 s ASN 27 Cb -0.19 -1.85 1.00 0.00 -1.45 0.00 0.00 41.25 38.76 2ww3 s ASN 27 CO 0.22 -0.49 1.69 -2.65 -3.72 0.00 0.00 177.10 172.15 2ww3 n PRO 28 N 4.68 0.18 0.00 0.43 -0.02 -1.26 -1.89 135.00 137.12 2ww3 n PRO 28 Ca -0.06 0.46 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 2ww3 n PRO 28 Cb 0.42 -1.88 0.72 0.00 -0.02 0.00 0.00 33.50 32.74 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 -2.22 0.27 -4.65 2.45 4.77 -1.26 -3.83 117.00 112.53 2ww3 n LEU 29 Ca 0.01 0.08 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 2ww3 n LEU 29 Cb 0.19 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2ww3 n LEU 29 CO 0.18 0.05 1.26 -0.32 -1.33 0.00 0.00 177.39 177.22 2ww3 s MET 30 N -2.40 4.05 0.00 3.23 1.75 -0.79 -1.52 119.30 123.61 2ww3 s MET 30 Ca 0.33 1.77 0.00 0.00 -1.25 0.00 0.00 55.69 56.53 2ww3 s MET 30 Cb 0.21 -3.92 0.00 0.00 2.84 0.00 0.00 34.83 33.95 2ww3 s MET 30 CO 0.45 -0.97 0.00 0.41 -0.65 0.00 0.00 175.02 174.25 2ww3 n GLY 31 N 4.16 0.39 0.06 2.11 0.00 0.45 -4.76 105.19 107.60 2ww3 n GLY 31 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2ww3 n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww3 n SER 32 N 0.00 0.59 -3.62 1.61 3.41 -0.58 -2.07 113.62 112.97 2ww3 n SER 32 Ca 0.00 0.30 -0.41 0.00 -0.26 0.00 0.00 58.87 58.50 2ww3 n SER 32 Cb 0.00 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2ww3 n SER 32 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2ww3 n GLN 33 N -1.98 4.05 -4.52 4.33 7.27 -0.73 -1.54 117.38 124.26 2ww3 n GLN 33 Ca 0.05 -3.31 -0.27 0.00 0.07 0.00 0.00 57.00 53.54 2ww3 n GLN 33 Cb 0.40 -2.79 -0.13 0.00 2.41 0.00 0.00 30.24 30.13 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 0.89 2.89 0.28 1.69 0.01 -1.26 -4.45 113.70 113.75 2ww3 s SER 34 Ca 0.50 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 57.15 2ww3 s SER 34 Cb 0.15 -0.21 -0.06 0.00 0.21 0.00 0.00 66.02 66.11 2ww3 s SER 34 CO -0.05 0.16 0.03 0.42 0.41 0.00 0.00 173.24 174.20 2ww3 s THR 35 N -0.98 1.12 0.41 1.44 -4.23 -0.91 -4.93 115.64 107.55 2ww3 s THR 35 Ca 0.10 -2.03 0.11 0.00 -1.18 0.00 0.00 61.69 58.69 2ww3 s THR 35 Cb -0.10 -2.59 0.31 0.00 1.34 0.00 0.00 72.50 71.47 2ww3 s THR 35 CO 0.04 -0.14 1.98 0.15 -0.54 0.00 0.00 174.62 176.10 2ww3 h PHE 36 N 2.28 0.55 0.00 3.99 3.57 -2.02 -2.70 116.94 122.61 2ww3 h PHE 36 Ca -0.40 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 60.98 2ww3 h PHE 36 Cb 1.24 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2ww3 h PHE 36 CO 0.58 0.28 -0.72 0.93 -2.23 0.00 0.00 178.31 177.15 2ww3 h GLU 37 N 0.53 0.00 -1.56 1.11 3.07 -1.96 -3.39 114.58 112.39 2ww3 h GLU 37 Ca 0.28 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.06 2ww3 h GLU 37 Cb 0.41 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.05 2ww3 h GLU 37 CO -0.09 0.63 -0.43 -1.17 -1.40 0.00 0.00 179.01 176.55 2ww3 s LEU 38 N -6.48 -0.94 0.14 1.33 2.96 -1.02 -4.10 118.68 110.57 2ww3 s LEU 38 Ca 0.03 0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 2ww3 s LEU 38 Cb 0.08 1.45 -0.07 0.00 0.50 0.00 0.00 46.19 48.15 2ww3 s LEU 38 CO 0.77 -0.30 0.99 -0.55 -1.32 0.00 0.00 176.35 175.94 2ww3 s SER 39 N 2.65 7.47 -0.23 3.68 0.15 -1.24 -2.15 113.70 124.04 2ww3 s SER 39 Ca 0.14 1.87 0.13 0.00 0.70 0.00 0.00 55.95 58.79 2ww3 s SER 39 Cb -0.14 -2.59 0.47 0.00 -1.71 0.00 0.00 66.02 62.04 2ww3 s SER 39 CO -0.21 -0.06 1.37 0.35 1.20 0.00 0.00 173.24 175.89 2ww3 n THR 40 N 2.52 2.34 0.00 6.45 -2.24 -1.26 -3.31 114.28 118.78 2ww3 n THR 40 Ca 0.02 -2.51 0.00 0.00 -2.27 0.00 0.00 64.05 59.29 2ww3 n THR 40 Cb 0.48 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.01 3.01 3.67 3.38 0.00 -0.91 -1.69 105.19 111.63 2ww3 n GLY 41 Ca 0.26 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.81 -4.81 1.61 3.02 -1.03 -1.59 115.26 110.64 2ww3 n ASN 42 Ca 0.00 -0.83 -0.23 0.00 -0.03 0.00 0.00 54.58 53.49 2ww3 n ASN 42 Cb 0.00 -4.09 -0.05 0.00 -0.61 0.00 0.00 39.78 35.03 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 -3.63 2.35 0.12 3.41 -4.23 -0.88 -4.62 115.64 108.17 2ww3 s THR 43 Ca 0.07 -1.53 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2ww3 s THR 43 Cb -0.02 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 2ww3 s THR 43 CO 0.81 0.00 -0.06 -0.72 -0.54 0.00 0.00 174.62 174.11 2ww3 s TYR 44 N -2.57 1.04 -0.48 3.99 1.13 -1.26 -4.14 117.35 115.05 2ww3 s TYR 44 Ca 0.43 -0.89 -0.29 0.00 -1.41 0.00 0.00 57.07 54.91 2ww3 s TYR 44 Cb 0.00 -0.58 0.02 0.00 -1.10 0.00 0.00 41.96 40.31 2ww3 s TYR 44 CO 0.24 -0.10 1.23 -1.25 -2.51 0.00 0.00 175.55 173.17 2ww3 s PRO 45 N -3.82 3.64 -0.69 -3.49 0.04 -1.25 -4.92 135.00 124.50 2ww3 s PRO 45 Ca 0.15 0.62 -0.21 0.00 0.04 0.00 0.00 61.00 61.60 2ww3 s PRO 45 Cb 0.05 -3.96 0.08 0.00 0.04 0.00 0.00 34.50 30.71 2ww3 s PRO 45 CO -0.02 -1.50 0.95 0.00 0.04 0.00 0.00 177.00 176.47 2ww3 s ALA 46 N 4.87 3.20 -0.40 8.56 0.00 -1.26 -4.43 121.76 132.29 2ww3 s ALA 46 Ca 0.51 -2.04 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 2ww3 s ALA 46 Cb -0.09 -3.84 0.02 0.00 0.00 0.00 0.00 23.12 19.21 2ww3 s ALA 46 CO 0.31 -2.74 1.00 0.42 0.00 0.00 0.00 175.76 174.75 2ww3 s ILE 47 N 3.65 4.46 -0.12 0.00 -1.09 -0.25 -4.82 121.20 123.03 2ww3 s ILE 47 Ca 0.22 1.23 -0.33 0.00 -2.23 0.00 0.00 60.65 59.54 2ww3 s ILE 47 Cb -0.16 -4.43 0.13 0.00 -1.58 0.00 0.00 42.46 36.41 2ww3 s ILE 47 CO 0.07 -0.69 1.16 0.00 -1.23 0.00 0.00 174.94 174.25 2ww3 s ALA 48 N 3.79 -2.04 0.58 9.38 0.00 -0.43 -1.71 121.76 131.33 2ww3 s ALA 48 Ca 0.42 1.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.58 2ww3 s ALA 48 Cb -0.10 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2ww3 s ALA 48 CO 0.22 -0.71 0.96 1.03 0.00 0.00 0.00 175.76 177.27 2ww3 s ARG 49 N -2.56 3.57 0.21 0.00 1.81 -1.26 -4.57 118.95 116.14 2ww3 s ARG 49 Ca 0.10 0.59 -0.32 0.00 -1.72 0.00 0.00 55.73 54.38 2ww3 s ARG 49 Cb -0.00 -2.16 -0.14 0.00 -0.45 0.00 0.00 34.95 32.19 2ww3 s ARG 49 CO -0.05 -0.48 1.31 -2.30 -0.68 0.00 0.00 175.30 173.11 2ww3 n PRO 50 N -2.62 1.68 -1.56 3.54 -0.02 -1.26 -0.40 135.00 134.37 2ww3 n PRO 50 Ca 0.04 0.60 -0.08 0.00 -2.02 0.00 0.00 63.50 62.05 2ww3 n PRO 50 Cb 0.54 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 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 1.78 -0.92 -1.49 6.00 8.01 -0.25 -4.86 117.44 125.70 2ww3 n TRP 51 Ca 0.13 0.00 -0.51 0.00 -1.31 0.00 0.00 57.50 55.81 2ww3 n TRP 51 Cb 0.29 -1.94 -0.04 0.00 -2.01 0.00 0.00 31.31 27.60 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 -0.29 -0.72 0.34 6.99 0.00 0.47 -0.78 105.19 111.20 2ww3 n GLY 52 Ca -0.08 0.50 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 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 2.28 1.07 -4.84 1.61 4.05 -1.46 -3.37 114.93 114.27 2ww3 h MET 53 Ca -0.39 -0.13 -0.62 0.00 -0.28 0.00 0.00 59.70 58.29 2ww3 h MET 53 Cb 1.40 -0.21 -0.35 0.00 -0.80 0.00 0.00 31.60 31.64 2ww3 h MET 53 CO 0.63 0.80 -0.84 -0.80 0.23 0.00 0.00 176.91 176.93 2ww3 s ASN 54 N -6.36 2.70 0.11 1.39 0.01 -0.67 -4.91 114.94 107.20 2ww3 s ASN 54 Ca -0.11 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 51.52 2ww3 s ASN 54 Cb 0.17 -1.22 -0.05 0.00 0.41 0.00 0.00 41.25 40.56 2ww3 s ASN 54 CO 0.81 0.01 0.30 -0.36 -1.51 0.00 0.00 177.10 176.34 2ww3 s PHE 55 N 1.12 3.50 -0.01 2.20 0.08 -1.06 -4.75 117.98 119.06 2ww3 s PHE 55 Ca -0.02 0.37 0.06 0.00 0.12 0.00 0.00 56.93 57.46 2ww3 s PHE 55 Cb -0.14 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.43 2ww3 s PHE 55 CO -0.05 0.51 -0.19 -1.58 -0.10 0.00 0.00 175.22 173.81 2ww3 s TRP 56 N -1.61 1.66 -0.12 0.36 0.52 -0.69 0.09 118.94 119.14 2ww3 s TRP 56 Ca 0.38 -0.32 -0.14 0.00 0.02 0.00 0.00 56.10 56.03 2ww3 s TRP 56 Cb -0.12 -1.06 0.04 0.00 -1.15 0.00 0.00 33.47 31.17 2ww3 s TRP 56 CO 0.27 -0.02 0.39 -0.08 0.02 0.00 0.00 176.95 177.53 2ww3 s THR 57 N -0.47 0.01 0.53 2.01 -1.32 -0.32 -1.10 115.64 114.99 2ww3 s THR 57 Ca 0.07 -0.09 -0.21 0.00 -1.21 0.00 0.00 61.69 60.25 2ww3 s THR 57 Cb -0.07 -0.58 -0.05 0.00 -1.51 0.00 0.00 72.50 70.29 2ww3 s THR 57 CO -0.00 -0.05 1.28 -2.16 -2.21 0.00 0.00 174.62 171.48 2ww3 s PRO 58 N -0.11 3.27 -0.20 7.08 0.04 -1.26 -0.59 135.00 143.23 2ww3 s PRO 58 Ca -0.03 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2ww3 s PRO 58 Cb -0.03 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.30 2ww3 s PRO 58 CO 0.02 -1.03 -0.17 -1.14 0.04 0.00 0.00 177.00 174.72 2ww3 s GLN 59 N -2.93 2.74 -0.11 4.56 0.74 0.08 -4.62 119.66 120.12 2ww3 s GLN 59 Ca 0.71 -0.92 0.18 0.00 0.05 0.00 0.00 55.36 55.37 2ww3 s GLN 59 Cb -0.35 -2.60 -0.26 0.00 1.10 0.00 0.00 33.01 30.89 2ww3 s GLN 59 CO 0.42 -0.30 0.23 0.25 -0.55 0.00 0.00 175.29 175.34 2ww3 n THR 60 N 4.59 0.68 -1.80 -0.34 -2.24 0.11 -1.56 114.28 113.71 2ww3 n THR 60 Ca -0.19 -0.62 -0.31 0.00 -2.27 0.00 0.00 64.05 60.66 2ww3 n THR 60 Cb 0.48 -0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.48 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 -4.79 1.73 0.60 3.38 0.00 -0.65 -4.77 107.32 102.83 2ww3 s GLY 61 Ca -0.08 0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.51 2ww3 s GLY 61 CO 0.78 0.33 1.12 0.54 0.00 0.00 0.00 173.10 175.87 2ww3 s LYS 62 N -4.95 3.10 0.10 2.90 1.02 -1.26 -4.92 119.74 115.73 2ww3 s LYS 62 Ca 0.57 1.50 -0.36 0.00 0.02 0.00 0.00 55.97 57.70 2ww3 s LYS 62 Cb -0.13 -1.98 -0.16 0.00 -0.52 0.00 0.00 37.83 35.04 2ww3 s LYS 62 CO 0.51 -1.03 1.34 -0.12 -0.92 0.00 0.00 175.35 175.13 2ww3 n MET 63 N -1.82 1.21 0.00 1.68 0.00 -1.26 -1.30 117.12 115.63 2ww3 n MET 63 Ca 0.11 0.44 0.00 0.00 -0.00 0.00 0.00 57.70 58.25 2ww3 n MET 63 Cb 0.51 -2.08 0.00 0.00 0.00 0.00 0.00 33.22 31.66 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 2.54 3.14 3.69 -5.12 0.00 -1.26 -5.04 105.19 103.14 2ww3 n GLY 64 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 0.15 6.89 0.57 1.61 -1.08 -0.42 -4.89 116.67 119.51 2ww3 s ASP 65 Ca 0.00 2.09 0.31 0.00 -0.52 0.00 0.00 52.55 54.43 2ww3 s ASP 65 Cb 0.00 -2.56 1.74 0.00 -1.46 0.00 0.00 42.92 40.64 2ww3 s ASP 65 CO 0.00 -0.68 2.19 1.23 0.52 0.00 0.00 175.17 178.43 2ww3 h GLY 66 N 8.04 0.00 -7.58 2.66 0.00 -1.89 -3.24 103.07 101.06 2ww3 h GLY 66 Ca -0.38 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.23 2ww3 h GLY 66 CO 0.89 0.00 1.73 0.79 0.00 0.00 0.00 176.54 179.95 2ww3 n TRP 67 N -3.63 4.66 0.15 5.60 8.01 -1.26 -4.41 117.44 126.56 2ww3 n TRP 67 Ca -0.02 -3.15 0.08 0.00 -1.31 0.00 0.00 57.50 53.10 2ww3 n TRP 67 Cb 0.15 -2.31 0.06 0.00 -2.01 0.00 0.00 31.31 27.20 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 7.09 0.00 -3.33 -0.99 3.07 -1.93 -3.34 115.11 115.68 2ww3 h GLN 68 Ca 0.37 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.84 2ww3 h GLN 68 Cb 0.84 0.00 -0.33 0.00 0.08 0.00 0.00 27.48 28.07 2ww3 h GLN 68 CO 1.36 0.16 -0.65 -0.47 0.09 0.00 0.00 178.83 179.33 2ww3 s TYR 69 N -3.15 -0.09 -0.02 0.06 5.04 -1.26 0.05 117.35 117.98 2ww3 s TYR 69 Ca 0.03 0.36 0.02 0.00 -2.44 0.00 0.00 57.07 55.05 2ww3 s TYR 69 Cb 0.07 -0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.22 2ww3 s TYR 69 CO 0.73 -0.15 -0.08 0.95 -1.34 0.00 0.00 175.55 175.66 2ww3 s THR 70 N 1.26 0.72 0.37 4.34 -4.23 -1.26 -4.78 115.64 112.06 2ww3 s THR 70 Ca -0.08 -0.32 0.07 0.00 -1.18 0.00 0.00 61.69 60.18 2ww3 s THR 70 Cb -0.12 -0.65 0.30 0.00 1.34 0.00 0.00 72.50 73.37 2ww3 s THR 70 CO -0.05 0.23 1.95 0.22 -0.54 0.00 0.00 174.62 176.43 2ww3 h TYR 71 N 6.41 0.73 -0.05 3.99 5.03 -1.64 -1.99 116.97 129.44 2ww3 h TYR 71 Ca -0.33 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.00 2ww3 h TYR 71 Cb 1.17 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.21 2ww3 h TYR 71 CO 0.44 0.37 0.00 0.25 -1.32 0.00 0.00 178.16 177.90 2ww3 n THR 72 N -4.49 0.06 -2.35 1.81 -2.24 -1.26 -4.88 114.28 100.94 2ww3 n THR 72 Ca 0.11 -0.14 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 2ww3 n THR 72 Cb 0.27 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.94 3.05 -0.29 6.98 0.00 -0.75 -4.96 121.76 123.85 2ww3 s ALA 73 Ca 0.33 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.39 2ww3 s ALA 73 Cb 0.17 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 20.03 2ww3 s ALA 73 CO 0.27 -0.49 1.20 -0.91 0.00 0.00 0.00 175.76 175.83 2ww3 h ASN 74 N 2.32 0.00 -3.99 0.00 2.35 -1.89 -3.48 115.58 110.88 2ww3 h ASN 74 Ca -0.49 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.05 2ww3 h ASN 74 Cb 1.23 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.34 2ww3 h ASN 74 CO 0.61 0.03 -0.70 -0.54 -1.65 0.00 0.00 177.43 175.19 2ww3 s LYS 75 N -3.30 0.08 -0.12 0.81 1.02 -1.26 -1.96 119.74 115.01 2ww3 s LYS 75 Ca 0.02 -0.10 -0.05 0.00 0.02 0.00 0.00 55.97 55.85 2ww3 s LYS 75 Cb 0.08 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 2ww3 s LYS 75 CO 0.76 -0.01 0.07 0.42 -0.92 0.00 0.00 175.35 175.66 2ww3 s ILE 76 N -0.29 4.88 0.00 2.17 1.01 -0.07 -4.41 121.20 124.48 2ww3 s ILE 76 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.59 2ww3 s ILE 76 Cb -0.02 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.33 2ww3 s ILE 76 CO -0.00 0.57 0.45 -2.11 0.00 0.00 0.00 174.94 173.85 2ww3 n ARG 77 N 2.45 -0.76 -3.61 2.79 1.85 -0.60 -0.64 116.66 118.15 2ww3 n ARG 77 Ca -0.19 -0.47 -0.02 0.00 -1.00 0.00 0.00 57.85 56.18 2ww3 n ARG 77 Cb 0.54 -0.94 -0.01 0.00 -1.05 0.00 0.00 32.46 31.00 2ww3 n ARG 77 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2ww3 s GLY 78 N -0.03 -0.33 -0.22 2.89 0.00 -1.23 -4.76 107.32 103.64 2ww3 s GLY 78 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 44.72 46.06 2ww3 s GLY 78 CO 0.00 0.41 -0.11 -1.36 0.00 0.00 0.00 173.10 172.04 2ww3 s PHE 79 N -2.31 2.94 -0.05 1.90 0.40 -0.07 -0.74 117.98 120.04 2ww3 s PHE 79 Ca 0.12 -1.43 0.04 0.00 -0.60 0.00 0.00 56.93 55.06 2ww3 s PHE 79 Cb 0.01 -2.02 -0.00 0.00 0.51 0.00 0.00 43.02 41.52 2ww3 s PHE 79 CO -0.04 -0.71 -0.18 0.21 0.70 0.00 0.00 175.22 175.20 2ww3 s LYS 80 N 1.35 1.93 -0.01 0.44 2.20 0.24 -0.76 119.74 125.13 2ww3 s LYS 80 Ca 0.03 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 2ww3 s LYS 80 Cb -0.15 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.49 2ww3 s LYS 80 CO -0.07 0.25 0.96 -1.14 -0.36 0.00 0.00 175.35 174.99 2ww3 s GLN 81 N 0.06 4.54 0.03 4.03 0.74 0.26 -1.17 119.66 128.15 2ww3 s GLN 81 Ca -0.05 1.38 0.01 0.00 0.05 0.00 0.00 55.36 56.75 2ww3 s GLN 81 Cb -0.12 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 2ww3 s GLN 81 CO 0.03 -0.07 -0.04 -0.08 -0.55 0.00 0.00 175.29 174.58 2ww3 s THR 82 N 1.09 0.23 0.00 -0.34 -1.32 0.11 -3.37 115.64 112.05 2ww3 s THR 82 Ca 0.51 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 2ww3 s THR 82 Cb -0.21 -0.36 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 2ww3 s THR 82 CO 0.26 -0.47 0.90 1.41 -2.21 0.00 0.00 174.62 174.52 2ww3 n HIS 83 N 1.56 0.00 -1.67 9.09 8.25 -1.25 -2.56 115.22 128.65 2ww3 n HIS 83 Ca -0.24 -0.41 -0.42 0.00 -0.26 0.00 0.00 57.72 56.40 2ww3 n HIS 83 Cb 0.55 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.82 4.14 0.26 -0.41 0.74 -1.26 -4.88 119.66 117.43 2ww3 s GLN 84 Ca 0.00 2.62 0.14 0.00 0.05 0.00 0.00 55.36 58.17 2ww3 s GLN 84 Cb 0.00 -4.07 0.05 0.00 1.10 0.00 0.00 33.01 30.09 2ww3 s GLN 84 CO 0.00 -0.94 1.43 -1.00 -0.55 0.00 0.00 175.29 174.23 2ww3 h PRO 85 N 10.28 0.00 -2.45 1.67 0.13 -1.90 -3.49 132.00 136.25 2ww3 h PRO 85 Ca -0.49 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 2ww3 h PRO 85 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2ww3 h PRO 85 CO 0.94 0.57 0.43 -1.54 -0.23 0.00 0.00 178.00 178.18 2ww3 s SER 86 N -6.50 -0.39 0.51 1.44 1.04 -1.26 -4.63 113.70 103.91 2ww3 s SER 86 Ca 0.03 -0.04 0.30 0.00 0.48 0.00 0.00 55.95 56.72 2ww3 s SER 86 Cb 0.08 0.44 1.30 0.00 0.10 0.00 0.00 66.02 67.94 2ww3 s SER 86 CO 0.75 -0.72 1.97 1.55 0.98 0.00 0.00 173.24 177.77 2ww3 h PRO 87 N 2.00 0.00 0.08 4.02 0.13 -1.82 -0.46 132.00 135.96 2ww3 h PRO 87 Ca -0.25 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.63 2ww3 h PRO 87 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 2ww3 h PRO 87 CO 0.32 0.11 -1.03 -1.49 -0.23 0.00 0.00 178.00 175.67 2ww3 h TRP 88 N 0.00 0.88 0.05 1.56 4.06 -1.96 -3.30 115.95 117.25 2ww3 h TRP 88 Ca -0.00 -0.54 -0.23 0.00 2.06 0.00 0.00 58.89 60.18 2ww3 h TRP 88 Cb 0.52 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.60 2ww3 h TRP 88 CO 0.00 1.38 -1.06 0.82 -3.56 0.00 0.00 178.44 176.03 2ww3 h ILE 89 N 0.13 1.55 -0.52 1.49 1.08 -1.92 -3.50 117.51 115.83 2ww3 h ILE 89 Ca -0.15 -3.00 0.00 0.00 -0.39 0.00 0.00 64.86 61.32 2ww3 h ILE 89 Cb 1.73 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 38.24 2ww3 h ILE 89 CO 0.20 0.87 0.00 -3.20 -0.69 0.00 0.00 178.15 175.33 2ww3 n ASN 90 N -3.53 -1.55 -4.63 1.72 2.85 -0.20 -4.80 115.26 105.12 2ww3 n ASN 90 Ca -0.05 0.00 -0.28 0.00 -0.11 0.00 0.00 54.58 54.14 2ww3 n ASN 90 Cb 0.93 0.00 -0.11 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 3.86 0.02 1.20 -1.08 -1.26 -4.26 116.67 111.15 2ww3 s ASP 91 Ca 0.00 -1.41 -0.28 0.00 -0.52 0.00 0.00 52.55 50.34 2ww3 s ASP 91 Cb 0.00 -0.26 0.09 0.00 -1.46 0.00 0.00 42.92 41.29 2ww3 s ASP 91 CO 0.00 -0.51 0.76 -0.72 0.52 0.00 0.00 175.17 175.22 2ww3 s TYR 92 N -2.75 -0.49 -1.02 -5.34 1.13 -1.26 -2.42 117.35 105.19 2ww3 s TYR 92 Ca 0.31 0.52 -0.01 0.00 -1.41 0.00 0.00 57.07 56.48 2ww3 s TYR 92 Cb 0.09 0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 41.44 2ww3 s TYR 92 CO 0.16 -0.63 0.86 0.41 -2.51 0.00 0.00 175.55 173.84 2ww3 n GLY 93 N 0.12 -0.37 3.20 5.49 0.00 -1.24 -3.80 105.19 108.59 2ww3 n GLY 93 Ca -0.14 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.01 3.05 0.23 1.61 -2.07 -1.26 -4.46 119.66 111.74 2ww3 s GLN 94 Ca 0.07 -0.87 -0.13 0.00 -1.82 0.00 0.00 55.36 52.62 2ww3 s GLN 94 Cb -0.01 -2.36 -0.00 0.00 -1.09 0.00 0.00 33.01 29.55 2ww3 s GLN 94 CO 0.64 0.10 0.45 -0.59 -1.32 0.00 0.00 175.29 174.57 2ww3 s PHE 95 N 0.53 0.31 0.19 9.60 -0.71 -1.22 -4.58 117.98 122.09 2ww3 s PHE 95 Ca -0.14 -0.67 -0.03 0.00 -1.04 0.00 0.00 56.93 55.05 2ww3 s PHE 95 Cb -0.17 0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2ww3 s PHE 95 CO 0.05 -0.94 0.17 -1.54 -1.34 0.00 0.00 175.22 171.62 2ww3 s SER 96 N -2.99 0.15 0.02 1.98 1.04 -0.65 -0.57 113.70 112.67 2ww3 s SER 96 Ca 0.20 -1.25 0.02 0.00 0.48 0.00 0.00 55.95 55.39 2ww3 s SER 96 Cb -0.00 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2ww3 s SER 96 CO 0.06 -0.86 -0.06 -0.51 0.98 0.00 0.00 173.24 172.86 2ww3 s ILE 97 N -4.10 0.40 -0.18 -1.02 2.07 0.06 -1.37 121.20 117.06 2ww3 s ILE 97 Ca 0.32 -0.63 -0.06 0.00 -1.41 0.00 0.00 60.65 58.86 2ww3 s ILE 97 Cb 0.06 -0.42 0.08 0.00 0.13 0.00 0.00 42.46 42.32 2ww3 s ILE 97 CO 0.08 -0.17 0.37 -0.32 -1.91 0.00 0.00 174.94 173.00 2ww3 s MET 98 N -0.86 0.27 0.24 3.50 -2.45 0.50 -0.89 119.30 119.61 2ww3 s MET 98 Ca -0.05 0.94 -0.23 0.00 -1.25 0.00 0.00 55.69 55.10 2ww3 s MET 98 Cb -0.06 0.20 -0.09 0.00 1.25 0.00 0.00 34.83 36.13 2ww3 s MET 98 CO -0.00 -0.27 0.80 -1.25 1.05 0.00 0.00 175.02 175.34 2ww3 s PRO 99 N 2.56 4.41 0.15 4.11 0.04 -1.26 -0.62 135.00 144.38 2ww3 s PRO 99 Ca -0.00 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 2ww3 s PRO 99 Cb -0.12 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 2ww3 s PRO 99 CO -0.12 0.40 0.19 0.96 0.04 0.00 0.00 177.00 178.47 2ww3 s ILE 100 N -1.47 0.08 0.26 0.56 -4.36 -0.62 -4.96 121.20 110.69 2ww3 s ILE 100 Ca 0.43 -1.62 0.06 0.00 -0.26 0.00 0.00 60.65 59.26 2ww3 s ILE 100 Cb -0.19 -1.95 -0.06 0.00 1.25 0.00 0.00 42.46 41.52 2ww3 s ILE 100 CO 0.23 -0.36 -0.05 0.68 0.24 0.00 0.00 174.94 175.68 2ww3 s VAL 101 N -4.01 1.51 0.00 8.37 -7.23 -1.26 -1.12 120.40 116.67 2ww3 s VAL 101 Ca 0.21 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2ww3 s VAL 101 Cb 0.05 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2ww3 s VAL 101 CO 0.01 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 2ww3 n GLY 102 N -0.53 1.95 3.10 2.32 0.00 0.56 -4.92 105.19 107.67 2ww3 n GLY 102 Ca -0.06 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 0.84 -0.68 1.61 -1.52 -1.26 -4.81 119.66 113.84 2ww3 s GLN 103 Ca 0.00 -0.65 -0.25 0.00 -1.95 0.00 0.00 55.36 52.51 2ww3 s GLN 103 Cb 0.00 -0.81 0.05 0.00 -0.22 0.00 0.00 33.01 32.03 2ww3 s GLN 103 CO 0.00 0.20 1.10 -1.25 -0.25 0.00 0.00 175.29 175.10 2ww3 s PRO 104 N -0.95 3.18 -0.11 2.91 0.04 -1.26 -4.97 135.00 133.83 2ww3 s PRO 104 Ca 0.01 -0.49 0.03 0.00 0.04 0.00 0.00 61.00 60.59 2ww3 s PRO 104 Cb -0.07 -4.18 -0.00 0.00 0.04 0.00 0.00 34.50 30.28 2ww3 s PRO 104 CO 0.01 -1.92 -0.22 0.14 0.04 0.00 0.00 177.00 175.05 2ww3 s VAL 105 N 4.80 2.24 -0.08 -0.36 -7.23 -1.26 -5.01 120.40 113.49 2ww3 s VAL 105 Ca 0.29 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.44 2ww3 s VAL 105 Cb -0.12 -1.88 -0.28 0.00 0.56 0.00 0.00 36.38 34.66 2ww3 s VAL 105 CO 0.14 0.55 0.51 0.15 -0.31 0.00 0.00 175.10 176.14 2ww3 h PHE 106 N 6.82 0.54 -1.08 2.82 3.57 -1.93 -3.43 116.94 124.26 2ww3 h PHE 106 Ca -0.23 -0.40 -0.80 0.00 3.53 0.00 0.00 57.97 60.08 2ww3 h PHE 106 Cb 1.23 -0.02 0.04 0.00 2.79 0.00 0.00 35.95 39.99 2ww3 h PHE 106 CO 0.48 1.69 0.26 -3.47 -2.23 0.00 0.00 178.31 175.04 2ww3 n ASP 107 N -3.50 0.49 0.12 0.41 -0.08 -1.26 -4.78 116.55 107.95 2ww3 n ASP 107 Ca -0.28 1.16 0.11 0.00 -1.51 0.00 0.00 54.79 54.28 2ww3 n ASP 107 Cb 1.06 -0.94 0.48 0.00 2.34 0.00 0.00 41.12 44.06 2ww3 n ASP 107 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ww3 n GLU 108 N 2.27 0.18 -0.05 -0.67 0.28 -1.26 -1.40 120.64 119.99 2ww3 n GLU 108 Ca 0.23 0.42 -0.20 0.00 -0.16 0.00 0.00 57.16 57.45 2ww3 n GLU 108 Cb 0.06 -1.85 -0.13 0.00 1.43 0.00 0.00 31.44 30.95 2ww3 n GLU 108 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ww3 n GLU 109 N -2.18 0.71 0.11 3.44 1.02 -1.26 -4.01 120.64 118.47 2ww3 n GLU 109 Ca 0.02 0.21 0.02 0.00 -0.02 0.00 0.00 57.16 57.39 2ww3 n GLU 109 Cb 0.21 -1.63 0.37 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.04 0.26 0.00 3.49 6.56 -1.82 -2.94 116.57 122.16 2ww3 h LYS 110 Ca -0.49 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.04 2ww3 h LYS 110 Cb 1.98 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.61 2ww3 h LYS 110 CO 0.02 0.41 -0.67 0.07 -2.06 0.00 0.00 179.45 177.21 2ww3 h ARG 111 N 0.24 0.00 -6.99 3.15 0.11 -1.44 -3.48 114.38 105.97 2ww3 h ARG 111 Ca 0.05 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.58 2ww3 h ARG 111 Cb 0.41 0.00 0.19 0.00 1.11 0.00 0.00 29.97 31.68 2ww3 h ARG 111 CO 0.03 0.00 0.03 0.00 0.10 0.00 0.00 179.97 180.13 2ww3 n ALA 112 N -1.84 -0.69 -3.15 0.08 0.00 -1.11 -4.93 120.51 108.86 2ww3 n ALA 112 Ca 0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 53.44 52.98 2ww3 n ALA 112 Cb 0.44 -2.09 -0.15 0.00 0.00 0.00 0.00 19.45 17.65 2ww3 n ALA 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ww3 s SER 113 N -1.89 0.64 0.63 0.00 0.15 0.19 -4.94 113.70 108.46 2ww3 s SER 113 Ca 0.70 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 57.08 2ww3 s SER 113 Cb -0.30 -0.19 -0.07 0.00 -1.71 0.00 0.00 66.02 63.76 2ww3 s SER 113 CO 0.54 0.00 0.58 0.79 1.20 0.00 0.00 173.24 176.35 2ww3 n TRP 114 N 3.44 -0.55 -3.85 3.44 7.02 -1.26 -0.89 117.44 124.79 2ww3 n TRP 114 Ca -0.19 0.41 -0.08 0.00 -1.02 0.00 0.00 57.50 56.62 2ww3 n TRP 114 Cb 0.55 -1.96 -0.00 0.00 -2.42 0.00 0.00 31.31 27.48 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 -1.76 0.02 0.03 -5.99 -0.71 -0.83 -1.61 117.98 107.14 2ww3 s PHE 115 Ca 0.69 -0.58 -0.03 0.00 -1.04 0.00 0.00 56.93 55.96 2ww3 s PHE 115 Cb -0.41 0.73 -0.02 0.00 -1.21 0.00 0.00 43.02 42.12 2ww3 s PHE 115 CO 0.55 -1.39 0.04 0.00 -1.34 0.00 0.00 175.22 173.08 2ww3 s ALA 116 N -3.10 0.06 0.42 1.99 0.00 -1.26 -4.80 121.76 115.08 2ww3 s ALA 116 Ca 0.14 -0.65 0.27 0.00 0.00 0.00 0.00 51.96 51.73 2ww3 s ALA 116 Cb -0.05 0.22 1.45 0.00 0.00 0.00 0.00 23.12 24.74 2ww3 s ALA 116 CO 0.10 -0.28 2.08 0.45 0.00 0.00 0.00 175.76 178.11 2ww3 h HIS 117 N 3.87 0.00 0.00 0.00 3.86 -1.95 0.08 115.15 121.01 2ww3 h HIS 117 Ca -0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2ww3 h HIS 117 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2ww3 h HIS 117 CO 0.57 0.11 0.00 1.63 0.86 0.00 0.00 177.93 181.11 2ww3 n LYS 118 N -3.68 0.65 -0.42 2.45 5.02 -1.26 -2.13 118.16 118.79 2ww3 n LYS 118 Ca -0.02 0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 2ww3 n LYS 118 Cb 0.23 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.95 4.30 3.10 0.72 0.00 0.00 -5.02 105.19 109.24 2ww3 n GLY 119 Ca 0.17 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.89 1.38 -0.17 1.61 2.12 -0.90 -1.14 118.70 118.70 2ww3 s GLU 120 Ca 0.41 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.24 2ww3 s GLU 120 Cb 0.34 -1.26 0.03 0.00 0.26 0.00 0.00 34.13 33.50 2ww3 s GLU 120 CO 0.07 0.24 -0.15 0.08 -0.54 0.00 0.00 175.26 174.95 2ww3 s VAL 121 N -0.05 1.74 -0.23 3.70 1.01 0.17 -4.97 120.40 121.77 2ww3 s VAL 121 Ca -0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2ww3 s VAL 121 Cb -0.09 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2ww3 s VAL 121 CO 0.01 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.45 2ww3 s ALA 122 N 1.40 2.67 0.27 5.51 0.00 -1.26 -0.67 121.76 129.68 2ww3 s ALA 122 Ca 0.03 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.65 2ww3 s ALA 122 Cb -0.14 -1.63 -0.06 0.00 0.00 0.00 0.00 23.12 21.30 2ww3 s ALA 122 CO -0.11 -0.69 0.03 0.95 0.00 0.00 0.00 175.76 175.94 2ww3 s THR 123 N 1.35 1.07 0.14 0.00 -4.23 -0.07 -4.41 115.64 109.49 2ww3 s THR 123 Ca 0.02 -2.03 0.35 0.00 -1.18 0.00 0.00 61.69 58.85 2ww3 s THR 123 Cb -0.16 -2.55 0.39 0.00 1.34 0.00 0.00 72.50 71.53 2ww3 s THR 123 CO -0.05 -0.17 2.02 -0.65 -0.54 0.00 0.00 174.62 175.23 2ww3 h PRO 124 N 2.32 0.00 -0.00 3.99 0.11 -1.88 -3.17 132.00 133.36 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 0.66 0.00 -0.29 2.48 -0.21 0.00 0.00 178.00 180.64 2ww3 n TYR 125 N -3.03 0.00 -3.65 0.65 4.11 -1.26 -1.32 117.16 112.66 2ww3 n TYR 125 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.82 2ww3 n TYR 125 Cb 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.53 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 -1.54 -0.93 -0.05 -3.48 5.04 -1.20 -4.19 117.35 111.00 2ww3 s TYR 126 Ca 0.06 1.92 0.03 0.00 -2.44 0.00 0.00 57.07 56.64 2ww3 s TYR 126 Cb 0.08 0.51 0.01 0.00 0.35 0.00 0.00 41.96 42.90 2ww3 s TYR 126 CO 0.30 -0.47 -0.13 -0.47 -1.34 0.00 0.00 175.55 173.44 2ww3 s TYR 127 N 1.40 1.47 0.01 4.97 5.04 -0.39 -0.89 117.35 128.96 2ww3 s TYR 127 Ca -0.08 -0.48 0.04 0.00 -2.44 0.00 0.00 57.07 54.10 2ww3 s TYR 127 Cb -0.06 -1.04 -0.01 0.00 0.35 0.00 0.00 41.96 41.20 2ww3 s TYR 127 CO -0.16 -0.22 -0.11 0.21 -1.34 0.00 0.00 175.55 173.93 2ww3 s LYS 128 N 0.40 0.83 -0.18 4.97 2.20 0.15 -0.66 119.74 127.46 2ww3 s LYS 128 Ca -0.10 -0.54 -0.18 0.00 -0.36 0.00 0.00 55.97 54.79 2ww3 s LYS 128 Cb -0.13 -0.80 0.05 0.00 -1.51 0.00 0.00 37.83 35.44 2ww3 s LYS 128 CO 0.03 0.21 0.51 0.54 -0.36 0.00 0.00 175.35 176.27 2ww3 s VAL 129 N -0.57 0.00 -0.24 4.02 0.11 -0.29 0.43 120.40 123.87 2ww3 s VAL 129 Ca 0.02 -0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.88 2ww3 s VAL 129 Cb -0.06 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2ww3 s VAL 129 CO 0.00 -0.01 0.42 -0.47 -3.33 0.00 0.00 175.10 171.71 2ww3 s TYR 130 N 0.14 3.31 -0.63 1.54 5.04 -0.30 -0.77 117.35 125.68 2ww3 s TYR 130 Ca -0.01 0.55 -0.20 0.00 -2.44 0.00 0.00 57.07 54.97 2ww3 s TYR 130 Cb -0.03 -2.59 0.09 0.00 0.35 0.00 0.00 41.96 39.78 2ww3 s TYR 130 CO 0.01 -0.14 0.82 -0.51 -1.34 0.00 0.00 175.55 174.39 2ww3 s LEU 131 N 1.79 4.98 0.35 6.97 1.43 0.12 -4.62 118.68 129.70 2ww3 s LEU 131 Ca 0.18 -1.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.06 2ww3 s LEU 131 Cb -0.15 -2.35 0.69 0.00 0.03 0.00 0.00 46.19 44.41 2ww3 s LEU 131 CO 0.09 -1.25 1.98 0.00 0.23 0.00 0.00 176.35 177.40 2ww3 h ALA 132 N 9.34 1.63 0.00 4.21 0.00 -1.59 -0.48 119.26 132.37 2ww3 h ALA 132 Ca -0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ww3 h ALA 132 Cb 1.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ww3 h ALA 132 CO 1.13 0.29 0.00 0.93 0.00 0.00 0.00 179.25 181.60 2ww3 h GLU 133 N 0.81 0.00 -0.00 0.00 5.08 -1.91 -3.20 114.58 115.36 2ww3 h GLU 133 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2ww3 h GLU 133 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ww3 h GLU 133 CO -0.08 0.00 -0.54 0.72 -1.00 0.00 0.00 179.01 178.11 2ww3 n HIS 134 N -3.02 0.00 -3.66 4.33 8.25 -0.90 -4.96 115.22 115.26 2ww3 n HIS 134 Ca 0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 2ww3 n HIS 134 Cb 0.48 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.88 -4.33 -4.16 0.41 2.03 -0.24 -4.69 116.55 104.68 2ww3 n ASP 135 Ca 0.04 -0.66 -0.29 0.00 0.52 0.00 0.00 54.79 54.40 2ww3 n ASP 135 Cb 0.26 -4.61 -0.17 0.00 -0.72 0.00 0.00 41.12 35.88 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 -3.38 1.73 -0.04 5.18 1.01 -1.16 -3.53 121.20 121.02 2ww3 s ILE 136 Ca 0.40 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 60.04 2ww3 s ILE 136 Cb -0.19 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 2ww3 s ILE 136 CO 0.77 0.49 0.47 -0.69 0.00 0.00 0.00 174.94 175.98 2ww3 s VAL 137 N 0.31 5.05 -0.13 2.92 1.01 -0.90 0.14 120.40 128.80 2ww3 s VAL 137 Ca -0.14 0.97 0.01 0.00 0.00 0.00 0.00 61.98 62.82 2ww3 s VAL 137 Cb -0.16 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2ww3 s VAL 137 CO 0.06 0.45 -0.15 -0.89 0.00 0.00 0.00 175.10 174.57 2ww3 s THR 138 N -0.26 2.86 0.07 3.92 2.01 0.05 -1.13 115.64 123.17 2ww3 s THR 138 Ca 0.26 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.62 2ww3 s THR 138 Cb -0.16 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2ww3 s THR 138 CO 0.13 0.53 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.73 2ww3 s GLU 139 N 0.36 1.56 -0.07 4.92 2.02 -0.08 -1.13 118.70 126.28 2ww3 s GLU 139 Ca -0.12 -1.15 -0.10 0.00 0.02 0.00 0.00 54.97 53.61 2ww3 s GLU 139 Cb -0.16 -1.83 0.02 0.00 0.10 0.00 0.00 34.13 32.26 2ww3 s GLU 139 CO 0.06 0.46 0.26 0.00 0.02 0.00 0.00 175.26 176.06 2ww3 s MET 140 N -1.51 0.41 -0.09 1.61 0.23 0.17 -0.86 119.30 119.25 2ww3 s MET 140 Ca 0.11 0.16 -0.03 0.00 -1.03 0.00 0.00 55.69 54.90 2ww3 s MET 140 Cb -0.10 0.19 0.04 0.00 -1.53 0.00 0.00 34.83 33.44 2ww3 s MET 140 CO 0.03 -0.08 0.09 0.95 -2.03 0.00 0.00 175.02 173.98 2ww3 s THR 141 N -0.35 -0.13 0.30 3.16 -4.23 -0.81 -1.26 115.64 112.32 2ww3 s THR 141 Ca -0.05 0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.63 2ww3 s THR 141 Cb -0.03 -0.32 -0.05 0.00 1.34 0.00 0.00 72.50 73.44 2ww3 s THR 141 CO 0.01 0.02 0.56 -2.16 -0.54 0.00 0.00 174.62 172.51 2ww3 s PRO 142 N 2.18 3.62 0.00 3.99 0.04 -1.26 -2.04 135.00 141.53 2ww3 s PRO 142 Ca 0.04 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2ww3 s PRO 142 Cb -0.13 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2ww3 s PRO 142 CO -0.06 0.20 0.00 0.25 0.04 0.00 0.00 177.00 177.43 2ww3 n THR 143 N -1.03 0.00 -0.27 1.26 -2.24 0.17 -4.62 114.28 107.55 2ww3 n THR 143 Ca -0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 2ww3 n THR 143 Cb 0.54 -0.73 0.16 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.11 0.00 -0.78 5.08 -1.94 -3.35 114.58 114.71 2ww3 h GLU 144 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ww3 h GLU 144 Cb 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2ww3 h GLU 144 CO 0.00 0.79 0.00 0.54 -1.00 0.00 0.00 179.01 179.34 2ww3 n ARG 145 N -4.36 2.60 -4.47 2.33 1.74 -1.26 -1.68 116.66 111.57 2ww3 n ARG 145 Ca 0.09 -0.12 -0.23 0.00 -0.77 0.00 0.00 57.85 56.81 2ww3 n ARG 145 Cb 0.08 -0.52 -0.09 0.00 -1.02 0.00 0.00 32.46 30.92 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 -0.41 2.60 -0.04 7.54 0.00 -1.26 -3.29 121.76 126.90 2ww3 s ALA 146 Ca 0.00 -1.54 -0.23 0.00 0.00 0.00 0.00 51.96 50.19 2ww3 s ALA 146 Cb 0.00 0.79 0.05 0.00 0.00 0.00 0.00 23.12 23.96 2ww3 s ALA 146 CO 0.00 -0.36 0.49 0.54 0.00 0.00 0.00 175.76 176.44 2ww3 s VAL 147 N -3.31 0.03 -0.18 0.00 0.11 0.06 0.45 120.40 117.55 2ww3 s VAL 147 Ca 0.29 -0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 2ww3 s VAL 147 Cb 0.05 -0.80 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2ww3 s VAL 147 CO 0.15 -0.13 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.50 2ww3 s LEU 148 N -1.19 2.87 -0.09 2.54 2.96 -0.87 -1.20 118.68 123.71 2ww3 s LEU 148 Ca -0.12 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 2ww3 s LEU 148 Cb -0.03 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2ww3 s LEU 148 CO 0.07 0.07 0.13 -0.36 -1.32 0.00 0.00 176.35 174.93 2ww3 s PHE 149 N 0.96 3.51 -0.12 5.38 0.40 0.30 -1.93 117.98 126.48 2ww3 s PHE 149 Ca -0.01 0.43 -0.00 0.00 -0.60 0.00 0.00 56.93 56.75 2ww3 s PHE 149 Cb -0.15 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.52 2ww3 s PHE 149 CO 0.00 0.67 -0.09 0.50 0.70 0.00 0.00 175.22 177.01 2ww3 s ARG 150 N -1.24 1.67 -0.20 0.44 3.52 -0.04 -0.53 118.95 122.58 2ww3 s ARG 150 Ca 0.18 -0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 55.39 2ww3 s ARG 150 Cb -0.12 -1.72 -0.03 0.00 -1.56 0.00 0.00 34.95 31.52 2ww3 s ARG 150 CO 0.07 -0.27 0.02 -0.06 -0.81 0.00 0.00 175.30 174.25 2ww3 s PHE 151 N 1.66 3.10 -0.42 5.12 0.40 0.14 -0.90 117.98 127.07 2ww3 s PHE 151 Ca 0.05 -0.29 -0.09 0.00 -0.60 0.00 0.00 56.93 56.00 2ww3 s PHE 151 Cb -0.13 -2.09 0.08 0.00 0.51 0.00 0.00 43.02 41.39 2ww3 s PHE 151 CO -0.09 -0.13 0.26 0.99 0.70 0.00 0.00 175.22 176.95 2ww3 s THR 152 N 0.85 4.19 0.41 0.64 2.01 -0.28 -0.21 115.64 123.25 2ww3 s THR 152 Ca 0.02 -1.44 -0.09 0.00 0.31 0.00 0.00 61.69 60.49 2ww3 s THR 152 Cb -0.14 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 2ww3 s THR 152 CO 0.02 -0.52 0.75 -0.36 -0.69 0.00 0.00 174.62 173.82 2ww3 s PHE 153 N 1.41 3.49 0.85 4.92 0.08 -0.35 -2.12 117.98 126.26 2ww3 s PHE 153 Ca 0.03 0.95 -0.08 0.00 0.12 0.00 0.00 56.93 57.95 2ww3 s PHE 153 Cb -0.23 -2.38 0.17 0.00 -0.57 0.00 0.00 43.02 40.02 2ww3 s PHE 153 CO 0.02 -0.12 1.16 -1.25 -0.10 0.00 0.00 175.22 174.93 2ww3 s PRO 154 N -4.04 1.10 -0.01 0.24 0.04 -1.23 -0.38 135.00 130.72 2ww3 s PRO 154 Ca 0.50 -0.85 -0.30 0.00 0.04 0.00 0.00 61.00 60.39 2ww3 s PRO 154 Cb -0.10 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 2ww3 s PRO 154 CO 0.35 -1.96 1.42 -2.00 0.04 0.00 0.00 177.00 174.84 2ww3 s GLU 155 N -5.51 4.27 -0.28 4.56 2.12 -1.24 -4.36 118.70 118.25 2ww3 s GLU 155 Ca 0.71 1.97 -0.23 0.00 0.36 0.00 0.00 54.97 57.78 2ww3 s GLU 155 Cb -0.04 -3.62 0.13 0.00 0.26 0.00 0.00 34.13 30.86 2ww3 s GLU 155 CO 0.49 -0.61 1.04 1.21 -0.54 0.00 0.00 175.26 176.85 2ww3 s ASN 156 N 2.01 -0.44 0.41 -1.70 3.84 -0.42 -4.89 114.94 113.75 2ww3 s ASN 156 Ca 0.64 0.82 0.22 0.00 0.21 0.00 0.00 52.86 54.76 2ww3 s ASN 156 Cb -0.31 0.90 0.69 0.00 -0.55 0.00 0.00 41.25 41.98 2ww3 s ASN 156 CO 0.26 -0.14 1.72 0.44 -2.79 0.00 0.00 177.10 176.60 2ww3 h ASP 157 N 4.51 0.00 -3.82 -4.21 3.32 -1.89 -0.13 116.42 114.21 2ww3 h ASP 157 Ca -0.28 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.15 2ww3 h ASP 157 Cb 1.18 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.33 2ww3 h ASP 157 CO 0.13 0.25 -0.69 -1.00 -1.72 0.00 0.00 179.24 176.21 2ww3 s HIS 158 N -3.44 2.50 -0.00 4.55 3.76 -1.26 -4.16 115.29 117.23 2ww3 s HIS 158 Ca 0.02 -2.75 0.04 0.00 -0.15 0.00 0.00 55.06 52.22 2ww3 s HIS 158 Cb 0.09 -2.27 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 2ww3 s HIS 158 CO 0.66 -0.76 -0.10 -1.12 -0.85 0.00 0.00 174.74 172.57 2ww3 s SER 159 N 0.03 4.36 0.16 1.40 0.01 -0.30 -0.33 113.70 119.03 2ww3 s SER 159 Ca 0.18 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 2ww3 s SER 159 Cb -0.24 -0.95 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 2ww3 s SER 159 CO -0.01 0.30 0.08 -0.31 0.41 0.00 0.00 173.24 173.71 2ww3 s TYR 160 N -0.92 0.99 -0.05 2.43 1.51 -0.27 -0.88 117.35 120.15 2ww3 s TYR 160 Ca 0.15 -1.29 0.00 0.00 -1.01 0.00 0.00 57.07 54.93 2ww3 s TYR 160 Cb -0.11 -0.52 0.03 0.00 -0.11 0.00 0.00 41.96 41.25 2ww3 s TYR 160 CO 0.05 -0.56 -0.01 0.08 -1.11 0.00 0.00 175.55 174.00 2ww3 s VAL 161 N -4.08 0.33 -0.12 0.71 1.01 -0.11 -1.58 120.40 116.55 2ww3 s VAL 161 Ca 0.30 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 2ww3 s VAL 161 Cb 0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 2ww3 s VAL 161 CO 0.06 0.20 0.25 -0.69 0.00 0.00 0.00 175.10 174.92 2ww3 s VAL 162 N 1.30 5.33 -0.17 2.92 1.01 0.21 -1.50 120.40 129.49 2ww3 s VAL 162 Ca -0.06 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.39 2ww3 s VAL 162 Cb -0.13 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2ww3 s VAL 162 CO -0.02 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 2ww3 s VAL 163 N -0.28 2.36 -0.28 2.92 1.01 0.62 -0.37 120.40 126.38 2ww3 s VAL 163 Ca 0.16 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2ww3 s VAL 163 Cb -0.13 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.30 2ww3 s VAL 163 CO 0.05 0.52 -0.04 -0.62 0.00 0.00 0.00 175.10 175.01 2ww3 s ASP 164 N 1.06 4.65 0.00 3.32 -1.08 -0.47 -0.46 116.67 123.68 2ww3 s ASP 164 Ca -0.01 -1.19 0.23 0.00 -0.52 0.00 0.00 52.55 51.07 2ww3 s ASP 164 Cb -0.14 -1.67 0.98 0.00 -1.46 0.00 0.00 42.92 40.63 2ww3 s ASP 164 CO -0.06 -0.21 1.68 0.00 0.52 0.00 0.00 175.17 177.10 2ww3 n ALA 165 N 4.60 2.56 -0.74 3.66 0.00 -0.66 -1.64 120.51 128.29 2ww3 n ALA 165 Ca -0.14 -0.42 0.10 0.00 0.00 0.00 0.00 53.44 52.98 2ww3 n ALA 165 Cb 0.44 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 0.01 -1.89 -2.59 0.00 3.01 -1.26 -4.50 117.46 110.24 2ww3 n PHE 166 Ca 0.17 0.98 0.00 0.00 1.01 0.00 0.00 57.45 59.61 2ww3 n PHE 166 Cb 0.28 -1.72 0.00 0.00 -0.01 0.00 0.00 39.48 38.03 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 -3.16 0.58 -0.50 4.37 5.75 -1.26 -3.89 116.55 118.43 2ww3 n ASP 167 Ca -0.01 -0.31 -0.07 0.00 -0.01 0.00 0.00 54.79 54.40 2ww3 n ASP 167 Cb 0.34 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.22 -0.65 0.00 0.11 4.76 -0.93 -3.51 118.16 117.72 2ww3 n LYS 168 Ca 0.00 0.66 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2ww3 n LYS 168 Cb 0.00 -4.47 0.00 0.00 -1.84 0.00 0.00 35.03 28.72 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 -1.79 0.54 3.35 0.72 0.00 0.03 -4.73 105.19 103.31 2ww3 n GLY 169 Ca -0.07 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 2ww3 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ww3 s SER 170 N 0.00 1.91 0.00 1.61 1.04 -0.51 -3.68 113.70 114.06 2ww3 s SER 170 Ca 0.00 -1.70 -0.00 0.00 0.48 0.00 0.00 55.95 54.72 2ww3 s SER 170 Cb 0.00 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 2ww3 s SER 170 CO 0.00 -1.00 -0.00 -0.47 0.98 0.00 0.00 173.24 172.75 2ww3 s TYR 171 N -3.43 0.06 -0.05 5.02 5.04 -0.63 -2.34 117.35 121.02 2ww3 s TYR 171 Ca 0.35 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.78 2ww3 s TYR 171 Cb 0.03 -0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.31 2ww3 s TYR 171 CO 0.22 -0.06 0.20 -1.50 -1.34 0.00 0.00 175.55 173.08 2ww3 s ILE 172 N -0.39 0.03 -0.12 3.14 1.10 -0.53 -1.29 121.20 123.14 2ww3 s ILE 172 Ca -0.04 -0.24 -0.05 0.00 -0.51 0.00 0.00 60.65 59.81 2ww3 s ILE 172 Cb -0.03 -0.37 0.05 0.00 0.15 0.00 0.00 42.46 42.27 2ww3 s ILE 172 CO -0.00 -0.13 0.25 -0.75 -2.11 0.00 0.00 174.94 172.20 2ww3 s LYS 173 N -0.44 0.18 -0.24 3.50 2.20 0.56 -0.72 119.74 124.78 2ww3 s LYS 173 Ca -0.05 0.62 -0.15 0.00 -0.36 0.00 0.00 55.97 56.03 2ww3 s LYS 173 Cb -0.04 -0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 2ww3 s LYS 173 CO 0.01 -0.22 0.36 0.42 -0.36 0.00 0.00 175.35 175.57 2ww3 s ILE 174 N 1.77 5.20 -0.74 5.43 1.01 0.89 -1.82 121.20 132.95 2ww3 s ILE 174 Ca -0.05 0.59 -0.03 0.00 0.00 0.00 0.00 60.65 61.16 2ww3 s ILE 174 Cb -0.11 -3.69 0.19 0.00 0.01 0.00 0.00 42.46 38.85 2ww3 s ILE 174 CO -0.08 0.22 0.59 -0.63 0.00 0.00 0.00 174.94 175.03 2ww3 s ILE 175 N 1.64 4.07 0.35 2.92 1.01 0.18 -4.88 121.20 126.49 2ww3 s ILE 175 Ca 0.16 -3.28 0.23 0.00 0.00 0.00 0.00 60.65 57.76 2ww3 s ILE 175 Cb -0.15 -3.59 0.24 0.00 0.01 0.00 0.00 42.46 38.97 2ww3 s ILE 175 CO 0.08 -0.97 1.97 1.55 0.00 0.00 0.00 174.94 177.58 2ww3 h PRO 176 N 6.68 0.00 0.00 2.79 0.13 -1.96 -1.59 132.00 138.05 2ww3 h PRO 176 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2ww3 h PRO 176 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2ww3 h PRO 176 CO 0.76 0.19 0.00 -0.85 -0.23 0.00 0.00 178.00 177.88 2ww3 n GLU 177 N -3.70 0.65 -0.09 0.86 0.00 -1.26 -1.97 120.64 115.12 2ww3 n GLU 177 Ca -0.01 0.02 0.03 0.00 0.00 0.00 0.00 57.16 57.20 2ww3 n GLU 177 Cb 0.31 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.08 1.53 -4.05 3.44 1.02 -0.80 -5.00 120.64 115.70 2ww3 n GLU 178 Ca 0.17 -1.61 -0.32 0.00 -0.02 0.00 0.00 57.16 55.37 2ww3 n GLU 178 Cb 0.12 -1.01 -0.03 0.00 -0.02 0.00 0.00 31.44 30.50 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 -0.65 -1.29 -3.94 1.62 3.02 -0.83 -4.72 115.26 108.47 2ww3 n ASN 179 Ca 0.05 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.33 2ww3 n ASN 179 Cb 0.48 -2.42 -0.13 0.00 -0.61 0.00 0.00 39.78 37.10 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 -6.88 0.25 -0.09 3.52 2.20 -0.67 -1.65 119.74 116.42 2ww3 s LYS 180 Ca 0.15 -0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.54 2ww3 s LYS 180 Cb -0.07 -0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.11 2ww3 s LYS 180 CO 0.93 0.03 -0.16 0.42 -0.36 0.00 0.00 175.35 176.22 2ww3 s ILE 181 N -0.44 1.45 0.32 5.43 1.01 -0.47 0.51 121.20 129.02 2ww3 s ILE 181 Ca -0.03 -0.64 0.10 0.00 0.00 0.00 0.00 60.65 60.08 2ww3 s ILE 181 Cb -0.03 -1.31 -0.06 0.00 0.01 0.00 0.00 42.46 41.07 2ww3 s ILE 181 CO -0.00 0.43 -0.08 0.27 0.00 0.00 0.00 174.94 175.55 2ww3 s ILE 182 N 0.76 2.55 -0.04 2.92 -4.36 -0.75 -0.07 121.20 122.19 2ww3 s ILE 182 Ca -0.12 -2.16 -0.20 0.00 -0.26 0.00 0.00 60.65 57.91 2ww3 s ILE 182 Cb -0.16 -2.62 0.06 0.00 1.25 0.00 0.00 42.46 41.00 2ww3 s ILE 182 CO 0.02 -0.27 0.89 0.61 0.24 0.00 0.00 174.94 176.43 2ww3 n GLY 183 N -0.80 0.26 3.10 6.27 0.00 -1.04 -0.33 105.19 112.65 2ww3 n GLY 183 Ca -0.05 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 2ww3 n GLY 183 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww3 s TYR 184 N -2.18 0.15 0.03 1.61 -0.85 -0.41 -1.31 117.35 114.39 2ww3 s TYR 184 Ca 0.21 -0.38 0.08 0.00 -0.52 0.00 0.00 57.07 56.46 2ww3 s TYR 184 Cb -0.00 -0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 2ww3 s TYR 184 CO -0.01 -0.32 -0.21 -0.08 -1.52 0.00 0.00 175.55 173.41 2ww3 s THR 185 N -2.03 2.54 0.00 -3.49 -1.32 -0.80 -1.60 115.64 108.95 2ww3 s THR 185 Ca -0.10 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 2ww3 s THR 185 Cb -0.05 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 2ww3 s THR 185 CO -0.02 0.39 0.03 0.35 -2.21 0.00 0.00 174.62 173.16 2ww3 n THR 186 N 1.76 0.00 -1.68 5.08 -2.24 -1.24 -1.76 114.28 114.20 2ww3 n THR 186 Ca -0.16 -0.39 -0.50 0.00 -2.27 0.00 0.00 64.05 60.72 2ww3 n THR 186 Cb 0.52 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.73 1.94 -4.14 -0.78 0.63 -1.23 -4.78 116.66 107.57 2ww3 n ARG 187 Ca 0.00 0.71 -0.12 0.00 -0.92 0.00 0.00 57.85 57.52 2ww3 n ARG 187 Cb 0.00 -2.50 -0.08 0.00 0.45 0.00 0.00 32.46 30.33 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 3.31 0.28 -0.18 6.15 4.22 -1.26 -3.61 114.94 123.84 2ww3 s ASN 188 Ca 0.91 -1.30 0.16 0.00 -2.14 0.00 0.00 52.86 50.50 2ww3 s ASN 188 Cb -0.77 0.48 0.48 0.00 1.28 0.00 0.00 41.25 42.72 2ww3 s ASN 188 CO 0.52 -0.98 1.37 -1.20 -2.04 0.00 0.00 177.10 174.77 2ww3 n SER 189 N -0.51 3.43 0.00 3.54 7.64 -1.02 -4.98 113.62 121.73 2ww3 n SER 189 Ca 0.01 -3.11 0.00 0.00 1.01 0.00 0.00 58.87 56.78 2ww3 n SER 189 Cb 0.64 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.76 1.25 2.20 0.23 0.00 -1.26 -5.02 105.19 101.83 2ww3 n GLY 190 Ca 0.21 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 0.65 -0.06 3.30 -0.02 0.00 -1.26 -4.45 105.19 103.34 2ww3 n GLY 191 Ca 0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.53 1.76 0.97 1.61 -7.23 -1.26 -0.57 120.40 113.15 2ww3 s VAL 192 Ca 0.00 -1.58 -0.12 0.00 -1.81 0.00 0.00 61.98 58.47 2ww3 s VAL 192 Cb 0.00 -1.61 0.17 0.00 0.56 0.00 0.00 36.38 35.51 2ww3 s VAL 192 CO 0.00 -0.06 1.09 -2.84 -0.31 0.00 0.00 175.10 172.98 2ww3 s PRO 193 N -1.96 0.65 0.59 4.82 0.02 -1.26 -4.91 135.00 132.95 2ww3 s PRO 193 Ca 0.07 0.67 0.36 0.00 0.02 0.00 0.00 61.00 62.12 2ww3 s PRO 193 Cb -0.10 -1.75 1.86 0.00 0.02 0.00 0.00 34.50 34.53 2ww3 s PRO 193 CO 0.04 -2.62 2.19 0.93 -0.33 0.00 0.00 177.00 177.21 2ww3 h GLU 194 N -1.82 0.00 -0.65 5.54 5.08 -1.98 -2.55 114.58 118.20 2ww3 h GLU 194 Ca -0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2ww3 h GLU 194 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2ww3 h GLU 194 CO 0.56 0.04 0.00 0.27 -1.00 0.00 0.00 179.01 178.87 2ww3 n ASN 195 N -3.32 4.37 -4.71 1.42 6.94 -1.26 -4.99 115.26 113.72 2ww3 n ASN 195 Ca -0.02 -2.41 -0.42 0.00 -0.02 0.00 0.00 54.58 51.71 2ww3 n ASN 195 Cb 0.17 -0.55 -0.03 0.00 -2.36 0.00 0.00 39.78 37.01 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 1.01 2.68 -3.69 -2.53 7.35 -0.96 -4.99 117.46 116.33 2ww3 n PHE 196 Ca 0.23 -0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.78 2ww3 n PHE 196 Cb 0.82 -2.68 -0.09 0.00 0.35 0.00 0.00 39.48 37.88 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 1.62 0.68 -0.33 -4.13 1.02 -1.26 -4.78 119.74 112.55 2ww3 s LYS 197 Ca 0.77 0.41 -0.04 0.00 0.02 0.00 0.00 55.97 57.13 2ww3 s LYS 197 Cb -0.51 0.32 0.05 0.00 -0.52 0.00 0.00 37.83 37.17 2ww3 s LYS 197 CO 0.34 -0.14 0.07 1.21 -0.92 0.00 0.00 175.35 175.91 2ww3 s ASN 198 N -0.35 5.15 -0.07 2.83 3.04 -0.72 -4.53 114.94 120.28 2ww3 s ASN 198 Ca -0.05 -1.25 -0.25 0.00 0.04 0.00 0.00 52.86 51.35 2ww3 s ASN 198 Cb -0.03 -1.80 -0.03 0.00 -1.54 0.00 0.00 41.25 37.84 2ww3 s ASN 198 CO 0.03 -0.32 0.76 -0.31 -3.04 0.00 0.00 177.10 174.22 2ww3 s TYR 199 N 1.33 3.56 0.22 0.43 1.51 0.11 -1.90 117.35 122.61 2ww3 s TYR 199 Ca -0.03 1.31 0.09 0.00 -1.01 0.00 0.00 57.07 57.44 2ww3 s TYR 199 Cb -0.20 -2.88 -0.05 0.00 -0.11 0.00 0.00 41.96 38.72 2ww3 s TYR 199 CO 0.01 0.02 -0.17 -0.59 -1.11 0.00 0.00 175.55 173.70 2ww3 s PHE 200 N 1.05 1.94 -0.01 2.71 -0.12 -0.43 0.15 117.98 123.28 2ww3 s PHE 200 Ca 0.40 -0.47 0.01 0.00 -0.05 0.00 0.00 56.93 56.82 2ww3 s PHE 200 Cb -0.18 -0.89 0.01 0.00 -0.63 0.00 0.00 43.02 41.32 2ww3 s PHE 200 CO 0.19 0.48 -0.02 0.42 -0.05 0.00 0.00 175.22 176.23 2ww3 s ILE 201 N -2.60 0.20 -0.10 -4.49 1.01 -0.02 -2.48 121.20 112.72 2ww3 s ILE 201 Ca 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.83 2ww3 s ILE 201 Cb -0.03 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.25 2ww3 s ILE 201 CO 0.10 0.08 -0.07 -0.63 0.00 0.00 0.00 174.94 174.42 2ww3 s ILE 202 N 0.26 0.93 -0.16 2.92 1.01 0.89 -1.70 121.20 125.35 2ww3 s ILE 202 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2ww3 s ILE 202 Cb -0.05 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.48 2ww3 s ILE 202 CO -0.01 0.34 -0.17 -1.61 0.00 0.00 0.00 174.94 173.49 2ww3 s GLU 203 N 1.52 3.14 0.07 2.79 2.02 0.11 -1.36 118.70 126.98 2ww3 s GLU 203 Ca 0.01 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.22 2ww3 s GLU 203 Cb -0.13 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 2ww3 s GLU 203 CO -0.05 -0.03 0.19 -0.06 0.02 0.00 0.00 175.26 175.33 2ww3 s PHE 204 N 0.91 3.47 -0.27 1.61 0.40 -0.66 -0.01 117.98 123.43 2ww3 s PHE 204 Ca -0.04 0.22 0.13 0.00 -0.60 0.00 0.00 56.93 56.64 2ww3 s PHE 204 Cb -0.15 -1.73 0.75 0.00 0.51 0.00 0.00 43.02 42.39 2ww3 s PHE 204 CO -0.02 0.58 1.73 -0.40 0.70 0.00 0.00 175.22 177.80 2ww3 n ASP 205 N 0.29 5.06 -3.76 1.36 5.75 -0.88 -4.79 116.55 119.59 2ww3 n ASP 205 Ca -0.06 -3.09 -0.14 0.00 -0.01 0.00 0.00 54.79 51.49 2ww3 n ASP 205 Cb 0.51 -0.69 -0.15 0.00 -1.03 0.00 0.00 41.12 39.76 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 -2.89 0.03 0.51 0.11 2.20 -1.26 -4.91 119.74 113.52 2ww3 s LYS 206 Ca 0.53 0.29 -0.21 0.00 -0.36 0.00 0.00 55.97 56.23 2ww3 s LYS 206 Cb 0.42 -0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 36.45 2ww3 s LYS 206 CO 0.14 -0.17 1.12 -2.14 -0.36 0.00 0.00 175.35 173.93 2ww3 s PRO 207 N 1.16 3.56 0.28 4.03 0.02 -1.26 -4.97 135.00 137.83 2ww3 s PRO 207 Ca -0.09 1.60 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 2ww3 s PRO 207 Cb -0.12 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.17 2ww3 s PRO 207 CO -0.05 -0.67 1.06 -0.06 -0.33 0.00 0.00 177.00 176.95 2ww3 s PHE 208 N -1.76 3.64 0.00 6.54 0.08 -1.26 -4.84 117.98 120.38 2ww3 s PHE 208 Ca 0.69 1.74 0.00 0.00 0.12 0.00 0.00 56.93 59.48 2ww3 s PHE 208 Cb -0.23 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 2ww3 s PHE 208 CO 0.27 -0.34 0.00 2.41 -0.10 0.00 0.00 175.22 177.46 2ww3 n THR 209 N 1.12 0.00 -4.49 0.64 -1.04 0.74 -4.96 114.28 106.28 2ww3 n THR 209 Ca -0.01 -0.09 -0.21 0.00 -2.04 0.00 0.00 64.05 61.71 2ww3 n THR 209 Cb 0.46 0.59 -0.14 0.00 -1.82 0.00 0.00 70.33 69.41 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 -1.81 1.21 -0.13 -1.42 6.14 -0.49 -4.93 117.35 115.93 2ww3 s TYR 210 Ca 0.00 -0.28 -0.10 0.00 0.64 0.00 0.00 57.07 57.32 2ww3 s TYR 210 Cb 0.00 -0.75 0.04 0.00 0.42 0.00 0.00 41.96 41.66 2ww3 s TYR 210 CO 0.00 0.01 0.33 -1.59 0.64 0.00 0.00 175.55 174.94 2ww3 s LYS 211 N -0.69 0.36 -0.20 4.97 -2.85 -1.26 -1.30 119.74 118.78 2ww3 s LYS 211 Ca 0.04 0.52 -0.20 0.00 -1.00 0.00 0.00 55.97 55.33 2ww3 s LYS 211 Cb -0.06 0.11 0.05 0.00 -2.06 0.00 0.00 37.83 35.87 2ww3 s LYS 211 CO 0.00 -0.08 0.56 0.00 0.10 0.00 0.00 175.35 175.94 2ww3 s ALA 212 N 0.51 -1.40 0.43 0.59 0.00 -0.22 -0.85 121.76 120.83 2ww3 s ALA 212 Ca -0.03 1.54 0.08 0.00 0.00 0.00 0.00 51.96 53.55 2ww3 s ALA 212 Cb -0.04 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.24 2ww3 s ALA 212 CO -0.03 -0.27 0.54 0.95 0.00 0.00 0.00 175.76 176.95 2ww3 s THR 213 N 0.17 2.83 -0.02 0.00 -4.23 -1.13 -0.30 115.64 112.96 2ww3 s THR 213 Ca -0.01 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.44 2ww3 s THR 213 Cb -0.04 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.89 2ww3 s THR 213 CO 0.01 0.00 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.31 2ww3 s VAL 214 N -2.41 0.78 -0.10 2.29 1.01 0.14 -0.67 120.40 121.43 2ww3 s VAL 214 Ca 0.54 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2ww3 s VAL 214 Cb -0.08 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.66 2ww3 s VAL 214 CO 0.32 0.24 0.03 -0.70 0.00 0.00 0.00 175.10 174.99 2ww3 s GLU 215 N 0.08 0.40 -0.90 2.72 -6.30 -0.78 -2.09 118.70 111.83 2ww3 s GLU 215 Ca -0.01 0.03 -0.24 0.00 -2.50 0.00 0.00 54.97 52.24 2ww3 s GLU 215 Cb -0.07 -1.24 0.03 0.00 0.00 0.00 0.00 34.13 32.85 2ww3 s GLU 215 CO 0.00 -0.43 0.45 0.09 0.02 0.00 0.00 175.26 175.40 2ww3 n ASN 216 N 5.18 -2.68 0.00 -1.70 5.03 -1.24 -0.66 115.26 119.19 2ww3 n ASN 216 Ca -0.07 -0.95 0.00 0.00 0.87 0.00 0.00 54.58 54.43 2ww3 n ASN 216 Cb 0.49 -1.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.11 2ww3 n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww3 n GLY 217 N -1.82 2.95 3.71 7.41 0.00 -1.26 -5.00 105.19 111.18 2ww3 n GLY 217 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.80 6.94 0.01 1.61 0.01 0.16 -4.95 114.94 115.92 2ww3 s ASN 218 Ca 0.00 1.13 -0.30 0.00 -0.71 0.00 0.00 52.86 52.98 2ww3 s ASN 218 Cb 0.00 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 2ww3 s ASN 218 CO 0.00 -0.14 1.18 -0.22 -1.51 0.00 0.00 177.10 176.41 2ww3 s LEU 219 N 0.98 4.34 -0.59 0.60 2.96 -1.26 -1.86 118.68 123.84 2ww3 s LEU 219 Ca 0.36 1.91 0.05 0.00 -0.22 0.00 0.00 54.13 56.22 2ww3 s LEU 219 Cb -0.17 -3.57 0.18 0.00 0.50 0.00 0.00 46.19 43.13 2ww3 s LEU 219 CO 0.16 -0.49 0.46 0.00 -1.32 0.00 0.00 176.35 175.17 2ww3 n GLN 220 N 4.41 1.29 -1.63 1.98 6.02 0.16 -4.99 117.38 124.61 2ww3 n GLN 220 Ca 0.09 -4.01 -0.46 0.00 -0.01 0.00 0.00 57.00 52.61 2ww3 n GLN 220 Cb 0.47 -2.03 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 2ww3 n GLN 220 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2ww3 n GLU 221 N 2.14 1.61 -1.24 -1.09 2.13 -1.26 -1.65 120.64 121.28 2ww3 n GLU 221 Ca 0.24 0.57 -0.09 0.00 0.66 0.00 0.00 57.16 58.54 2ww3 n GLU 221 Cb 0.41 -2.13 -0.04 0.00 0.27 0.00 0.00 31.44 29.94 2ww3 n GLU 221 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2ww3 n ASN 222 N 1.96 -5.43 -4.64 4.31 3.02 -0.03 -4.93 115.26 109.52 2ww3 n ASN 222 Ca 0.13 0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 54.51 2ww3 n ASN 222 Cb 0.29 -3.93 -0.07 0.00 -0.61 0.00 0.00 39.78 35.46 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 -1.76 5.09 0.20 2.41 1.01 -0.66 -4.98 120.40 121.71 2ww3 s VAL 223 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 2ww3 s VAL 223 Cb 0.00 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2ww3 s VAL 223 CO 0.00 0.13 1.51 0.00 0.00 0.00 0.00 175.10 176.74 2ww3 h ALA 224 N 7.75 0.72 -3.23 5.51 0.00 -1.90 -3.25 119.26 124.86 2ww3 h ALA 224 Ca -0.31 -0.53 -0.28 0.00 0.00 0.00 0.00 54.91 53.79 2ww3 h ALA 224 Cb 1.15 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.64 2ww3 h ALA 224 CO 0.73 0.70 -0.74 -1.21 0.00 0.00 0.00 179.25 178.73 2ww3 s GLU 225 N -3.90 0.52 -0.02 0.00 2.02 -1.26 -0.08 118.70 115.98 2ww3 s GLU 225 Ca -0.06 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 2ww3 s GLU 225 Cb 0.11 -0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.05 2ww3 s GLU 225 CO 0.83 0.06 0.06 -0.65 0.02 0.00 0.00 175.26 175.57 2ww3 s GLN 226 N -1.46 0.06 -0.29 1.61 -1.52 0.10 -5.00 119.66 113.16 2ww3 s GLN 226 Ca -0.09 0.09 0.01 0.00 -1.95 0.00 0.00 55.36 53.42 2ww3 s GLN 226 Cb -0.09 0.02 0.09 0.00 -0.22 0.00 0.00 33.01 32.80 2ww3 s GLN 226 CO 0.00 -0.02 0.04 0.99 -0.25 0.00 0.00 175.29 176.05 2ww3 s THR 227 N 0.08 1.52 0.35 -0.19 2.01 -1.26 -1.45 115.64 116.70 2ww3 s THR 227 Ca -0.00 -1.64 -0.16 0.00 0.31 0.00 0.00 61.69 60.20 2ww3 s THR 227 Cb -0.01 -2.03 0.04 0.00 0.01 0.00 0.00 72.50 70.51 2ww3 s THR 227 CO -0.00 -0.47 0.72 0.28 -0.69 0.00 0.00 174.62 174.46 2ww3 s THR 228 N 1.32 0.00 0.21 -0.82 -1.32 -0.99 -5.02 115.64 109.02 2ww3 s THR 228 Ca 0.05 -1.08 -0.09 0.00 -1.21 0.00 0.00 61.69 59.36 2ww3 s THR 228 Cb -0.18 -2.59 0.15 0.00 -1.51 0.00 0.00 72.50 68.37 2ww3 s THR 228 CO -0.14 0.00 1.81 -0.78 -2.21 0.00 0.00 174.62 173.30 2ww3 h ASP 229 N 2.03 0.99 -2.84 8.08 3.58 -1.94 -1.37 116.42 124.95 2ww3 h ASP 229 Ca -0.28 -0.12 -0.57 0.00 0.42 0.00 0.00 57.03 56.47 2ww3 h ASP 229 Cb 1.25 -0.25 -0.39 0.00 1.72 0.00 0.00 39.33 41.65 2ww3 h ASP 229 CO 0.36 0.83 -0.81 -2.28 -2.88 0.00 0.00 179.24 174.46 2ww3 s HIS 230 N -5.76 0.94 0.11 0.28 2.46 -1.26 -0.79 115.29 111.27 2ww3 s HIS 230 Ca -0.13 -1.61 -0.14 0.00 0.47 0.00 0.00 55.06 53.66 2ww3 s HIS 230 Cb 0.15 -1.15 -0.07 0.00 -0.13 0.00 0.00 32.58 31.38 2ww3 s HIS 230 CO 0.81 -0.83 0.51 0.00 -2.47 0.00 0.00 174.74 172.77 2ww3 s ALA 231 N 1.23 3.62 0.18 1.58 0.00 -1.25 -3.63 121.76 123.48 2ww3 s ALA 231 Ca 0.15 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2ww3 s ALA 231 Cb -0.21 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.42 2ww3 s ALA 231 CO -0.10 0.47 0.33 0.20 0.00 0.00 0.00 175.76 176.66 2ww3 s GLY 232 N -1.59 0.44 0.01 0.00 0.00 -0.89 -1.66 107.32 103.63 2ww3 s GLY 232 Ca 0.35 -0.82 -0.00 0.00 0.00 0.00 0.00 44.72 44.24 2ww3 s GLY 232 CO 0.18 -0.76 -0.01 0.00 0.00 0.00 0.00 173.10 172.51 2ww3 s ALA 233 N -3.97 0.06 -0.10 3.20 0.00 0.39 0.24 121.76 121.59 2ww3 s ALA 233 Ca 0.17 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2ww3 s ALA 233 Cb 0.02 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.24 2ww3 s ALA 233 CO 0.01 -0.10 -0.18 0.42 0.00 0.00 0.00 175.76 175.91 2ww3 s ILE 234 N -0.91 1.65 0.36 0.00 1.01 0.59 -0.27 121.20 123.62 2ww3 s ILE 234 Ca -0.10 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 59.88 2ww3 s ILE 234 Cb -0.06 -1.47 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 2ww3 s ILE 234 CO -0.01 0.47 -0.02 0.27 0.00 0.00 0.00 174.94 175.65 2ww3 s ILE 235 N 0.71 2.34 0.16 2.92 -5.25 -0.56 -1.06 121.20 120.46 2ww3 s ILE 235 Ca -0.12 -2.06 -0.23 0.00 -0.99 0.00 0.00 60.65 57.25 2ww3 s ILE 235 Cb -0.16 -2.78 0.08 0.00 2.95 0.00 0.00 42.46 42.55 2ww3 s ILE 235 CO 0.02 -0.15 1.06 -0.83 -1.79 0.00 0.00 174.94 173.25 2ww3 s GLY 236 N -3.68 0.02 -0.02 6.27 0.00 -0.42 -0.93 107.32 108.55 2ww3 s GLY 236 Ca 0.34 -0.19 -0.24 0.00 0.00 0.00 0.00 44.72 44.63 2ww3 s GLY 236 CO 0.18 2.16 1.10 1.97 0.00 0.00 0.00 173.10 178.51 2ww3 n PHE 237 N -0.67 -0.33 -4.16 1.90 -0.00 -0.06 -0.19 117.46 113.95 2ww3 n PHE 237 Ca -0.03 -0.60 -0.34 0.00 -0.00 0.00 0.00 57.45 56.47 2ww3 n PHE 237 Cb 0.60 0.27 -0.08 0.00 -0.00 0.00 0.00 39.48 40.27 2ww3 n PHE 237 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2ww3 s LYS 238 N -2.01 3.09 0.04 3.97 2.20 -1.26 -1.16 119.74 124.61 2ww3 s LYS 238 Ca 0.26 -0.41 0.04 0.00 -0.36 0.00 0.00 55.97 55.50 2ww3 s LYS 238 Cb -0.01 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.41 2ww3 s LYS 238 CO -0.01 0.69 -0.13 0.95 -0.36 0.00 0.00 175.35 176.50 2ww3 s THR 239 N -1.06 0.98 0.65 3.43 -4.23 -0.06 -4.98 115.64 110.37 2ww3 s THR 239 Ca 0.18 -0.96 -0.09 0.00 -1.18 0.00 0.00 61.69 59.65 2ww3 s THR 239 Cb -0.12 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.83 2ww3 s THR 239 CO 0.08 -0.04 1.00 -0.13 -0.54 0.00 0.00 174.62 174.99 2ww3 s ARG 240 N -1.13 2.83 0.11 3.99 0.52 -1.26 -1.30 118.95 122.71 2ww3 s ARG 240 Ca -0.00 0.20 -0.31 0.00 -0.52 0.00 0.00 55.73 55.09 2ww3 s ARG 240 Cb -0.08 -2.15 -0.10 0.00 0.52 0.00 0.00 34.95 33.14 2ww3 s ARG 240 CO 0.01 -0.90 1.86 1.17 0.02 0.00 0.00 175.30 177.46 2ww3 n LYS 241 N -2.81 2.80 -0.95 3.54 4.81 -1.26 -1.82 118.16 122.46 2ww3 n LYS 241 Ca 0.06 1.02 0.00 0.00 -0.87 0.00 0.00 58.31 58.52 2ww3 n LYS 241 Cb 0.58 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.70 2ww3 n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ww3 n GLY 242 N 4.29 0.88 3.74 3.14 0.00 0.49 -4.83 105.19 112.89 2ww3 n GLY 242 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.11 4.13 -0.12 1.61 2.12 -0.76 -4.62 118.70 120.96 2ww3 s GLU 243 Ca 0.00 2.58 -0.05 0.00 0.36 0.00 0.00 54.97 57.86 2ww3 s GLU 243 Cb 0.00 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2ww3 s GLU 243 CO 0.00 -0.68 0.06 -0.65 -0.54 0.00 0.00 175.26 173.45 2ww3 s GLN 244 N 0.23 3.37 -0.06 4.30 -0.21 -1.26 -1.22 119.66 124.81 2ww3 s GLN 244 Ca 0.68 -0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.79 2ww3 s GLN 244 Cb -0.48 -3.03 0.01 0.00 1.00 0.00 0.00 33.01 30.51 2ww3 s GLN 244 CO 0.41 0.63 -0.12 0.08 -2.12 0.00 0.00 175.29 174.17 2ww3 s VAL 245 N -0.65 1.12 0.03 1.09 1.01 0.71 -4.96 120.40 118.76 2ww3 s VAL 245 Ca 0.11 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2ww3 s VAL 245 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2ww3 s VAL 245 CO 0.02 0.35 -0.04 0.20 0.00 0.00 0.00 175.10 175.64 2ww3 s ASN 246 N 0.67 4.83 -0.07 3.32 0.01 -1.26 0.23 114.94 122.67 2ww3 s ASN 246 Ca -0.15 -0.13 -0.01 0.00 -0.71 0.00 0.00 52.86 51.86 2ww3 s ASN 246 Cb -0.16 -1.16 0.03 0.00 0.41 0.00 0.00 41.25 40.37 2ww3 s ASN 246 CO 0.04 0.25 -0.00 0.00 -1.51 0.00 0.00 177.10 175.88 2ww3 s ALA 247 N -1.10 0.68 -0.21 0.60 0.00 0.31 -2.07 121.76 119.98 2ww3 s ALA 247 Ca 0.20 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 2ww3 s ALA 247 Cb -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2ww3 s ALA 247 CO 0.11 -0.41 0.41 1.03 0.00 0.00 0.00 175.76 176.90 2ww3 s ARG 248 N 1.86 4.17 0.05 0.00 0.52 0.98 -0.54 118.95 125.99 2ww3 s ARG 248 Ca 0.03 0.22 0.06 0.00 -0.52 0.00 0.00 55.73 55.53 2ww3 s ARG 248 Cb -0.12 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 2ww3 s ARG 248 CO -0.05 -0.07 -0.18 0.42 0.02 0.00 0.00 175.30 175.44 2ww3 s ILE 249 N 1.40 1.47 0.08 1.52 1.01 -0.34 0.10 121.20 126.43 2ww3 s ILE 249 Ca 0.19 -1.16 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 2ww3 s ILE 249 Cb -0.15 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.05 2ww3 s ILE 249 CO 0.08 0.11 0.38 0.00 0.00 0.00 0.00 174.94 175.51 2ww3 s ALA 250 N -0.85 -0.88 0.16 9.38 0.00 -0.69 -0.76 121.76 128.12 2ww3 s ALA 250 Ca 0.05 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 2ww3 s ALA 250 Cb -0.09 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2ww3 s ALA 250 CO 0.02 -0.53 0.20 -1.54 0.00 0.00 0.00 175.76 173.91 2ww3 s SER 251 N -2.38 0.13 0.05 0.00 1.04 -1.21 -0.84 113.70 110.50 2ww3 s SER 251 Ca -0.01 -1.04 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 2ww3 s SER 251 Cb 0.01 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2ww3 s SER 251 CO -0.07 -0.85 0.25 -0.55 0.98 0.00 0.00 173.24 173.01 2ww3 s SER 252 N -3.02 -0.04 0.00 7.02 0.15 0.12 -4.75 113.70 113.19 2ww3 s SER 252 Ca 0.22 -0.32 0.24 0.00 0.70 0.00 0.00 55.95 56.78 2ww3 s SER 252 Cb 0.05 0.34 0.14 0.00 -1.71 0.00 0.00 66.02 64.84 2ww3 s SER 252 CO 0.02 -0.62 1.22 0.49 1.20 0.00 0.00 173.24 175.55 2ww3 n PHE 253 N 0.50 0.00 -0.10 3.44 3.01 -1.26 0.04 117.46 123.08 2ww3 n PHE 253 Ca -0.18 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.13 2ww3 n PHE 253 Cb 0.60 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.02 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 0.90 1.51 -3.80 4.37 5.41 -1.26 -4.78 119.36 121.70 2ww3 n ILE 254 Ca 0.13 -0.01 -0.04 0.00 1.00 0.00 0.00 62.75 63.83 2ww3 n ILE 254 Cb 0.55 -2.22 -0.00 0.00 -0.71 0.00 0.00 39.64 37.26 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 -6.36 -0.11 0.17 4.38 1.04 -1.26 -4.98 113.70 106.58 2ww3 s SER 255 Ca -0.32 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 55.42 2ww3 s SER 255 Cb 0.07 0.55 0.07 0.00 0.10 0.00 0.00 66.02 66.81 2ww3 s SER 255 CO 0.44 -1.04 1.75 -0.26 0.98 0.00 0.00 173.24 175.11 2ww3 h PHE 256 N 2.00 0.84 -0.59 5.02 0.04 -1.93 -0.40 116.94 121.92 2ww3 h PHE 256 Ca -0.25 -0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.49 2ww3 h PHE 256 Cb 1.23 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 2ww3 h PHE 256 CO 0.75 0.65 0.37 0.93 -0.60 0.00 0.00 178.31 180.40 2ww3 h GLU 257 N 0.79 0.71 -0.44 1.51 3.07 -1.99 0.15 114.58 118.38 2ww3 h GLU 257 Ca 0.20 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 2ww3 h GLU 257 Cb 0.13 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2ww3 h GLU 257 CO -0.02 0.47 -0.10 0.37 -1.40 0.00 0.00 179.01 178.32 2ww3 h GLN 258 N 0.73 0.79 -0.86 2.33 5.75 -1.89 -1.35 115.11 120.61 2ww3 h GLN 258 Ca 0.23 -0.26 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2ww3 h GLN 258 Cb -0.00 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 2ww3 h GLN 258 CO -0.09 0.86 0.54 0.00 -2.65 0.00 0.00 178.83 177.49 2ww3 h ALA 259 N 1.17 1.33 -0.31 3.38 0.00 -0.28 0.52 119.26 125.06 2ww3 h ALA 259 Ca 0.12 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2ww3 h ALA 259 Cb 0.59 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ww3 h ALA 259 CO 0.04 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.68 2ww3 h ALA 260 N 1.41 1.07 -0.52 0.00 0.00 -0.07 -1.89 119.26 119.26 2ww3 h ALA 260 Ca 0.31 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2ww3 h ALA 260 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ww3 h ALA 260 CO -0.06 0.57 -0.16 0.00 0.00 0.00 0.00 179.25 179.60 2ww3 h ALA 261 N 1.26 0.74 0.00 0.00 0.00 -0.38 -2.91 119.26 117.97 2ww3 h ALA 261 Ca 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2ww3 h ALA 261 Cb 0.64 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ww3 h ALA 261 CO 0.05 0.67 -0.03 -0.91 0.00 0.00 0.00 179.25 179.03 2ww3 h ASN 262 N 0.89 0.00 0.02 0.00 2.35 -0.38 -0.51 115.58 117.95 2ww3 h ASN 262 Ca 0.13 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2ww3 h ASN 262 Cb 0.73 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.10 2ww3 h ASN 262 CO 0.06 0.03 -0.01 -0.03 -1.65 0.00 0.00 177.43 175.83 2ww3 h MET 263 N 0.00 0.00 0.00 0.81 4.05 -1.15 -2.09 114.93 116.55 2ww3 h MET 263 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2ww3 h MET 263 Cb 0.06 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2ww3 h MET 263 CO 0.00 0.01 0.00 0.09 0.23 0.00 0.00 176.91 177.25 2ww3 n ASN 264 N -4.00 0.45 0.11 1.39 5.03 -0.20 -2.19 115.26 115.85 2ww3 n ASN 264 Ca -0.03 0.65 0.14 0.00 0.87 0.00 0.00 54.58 56.21 2ww3 n ASN 264 Cb 0.10 -0.73 0.65 0.00 -1.02 0.00 0.00 39.78 38.77 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 0.04 0.00 3.52 5.08 -1.55 -0.81 114.58 120.86 2ww3 h GLU 265 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ww3 h GLU 265 Cb 0.18 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2ww3 h GLU 265 CO 0.00 0.03 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.92 2ww3 h LEU 266 N 0.04 0.00 0.00 1.33 3.38 -1.67 -3.49 115.31 114.89 2ww3 h LEU 266 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2ww3 h LEU 266 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2ww3 h LEU 266 CO -0.01 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2ww3 n GLY 267 N 0.96 2.76 1.09 0.83 0.00 -0.31 -1.56 105.19 108.94 2ww3 n GLY 267 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 2.30 -2.32 1.61 4.76 -1.26 -4.99 118.16 132.27 2ww3 n LYS 268 Ca 0.00 -3.03 -0.37 0.00 -2.87 0.00 0.00 58.31 52.04 2ww3 n LYS 268 Cb 0.00 -1.84 -0.02 0.00 -1.84 0.00 0.00 35.03 31.33 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 -2.23 6.39 0.66 4.39 1.01 -0.60 -5.06 116.67 121.24 2ww3 s ASP 269 Ca 0.44 2.28 0.04 0.00 0.71 0.00 0.00 52.55 56.02 2ww3 s ASP 269 Cb 0.38 -2.60 0.11 0.00 1.01 0.00 0.00 42.92 41.82 2ww3 s ASP 269 CO 0.04 -0.76 0.91 0.54 0.21 0.00 0.00 175.17 176.11 2ww3 s ASN 270 N -1.31 4.64 0.20 0.27 2.20 -1.26 -4.87 114.94 114.81 2ww3 s ASN 270 Ca 0.60 -0.59 -0.13 0.00 -0.94 0.00 0.00 52.86 51.80 2ww3 s ASN 270 Cb -0.28 0.16 0.23 0.00 -2.00 0.00 0.00 41.25 39.35 2ww3 s ASN 270 CO 0.35 -1.66 1.66 0.40 -2.94 0.00 0.00 177.10 174.91 2ww3 h ILE 271 N -0.24 0.50 -0.24 0.54 1.08 -1.97 -1.86 117.51 115.32 2ww3 h ILE 271 Ca -0.33 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.14 2ww3 h ILE 271 Cb 1.27 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 2ww3 h ILE 271 CO 0.40 0.01 0.09 -0.33 -0.69 0.00 0.00 178.15 177.63 2ww3 h GLU 272 N 0.07 0.20 -0.31 2.37 3.07 -1.99 0.40 114.58 118.40 2ww3 h GLU 272 Ca 0.28 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.36 58.97 2ww3 h GLU 272 Cb 0.44 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2ww3 h GLU 272 CO -0.52 0.13 -0.44 1.96 -1.40 0.00 0.00 179.01 178.75 2ww3 h GLN 273 N 0.21 0.84 -0.44 2.33 7.50 -1.89 -1.59 115.11 122.07 2ww3 h GLN 273 Ca 0.10 -0.49 -0.07 0.00 0.50 0.00 0.00 58.65 58.69 2ww3 h GLN 273 Cb 0.06 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 2ww3 h GLN 273 CO -0.10 1.13 -0.03 -0.07 -1.50 0.00 0.00 178.83 178.26 2ww3 h LEU 274 N 0.61 0.70 -0.22 1.46 3.38 -1.17 -1.54 115.31 118.53 2ww3 h LEU 274 Ca 0.03 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2ww3 h LEU 274 Cb 1.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2ww3 h LEU 274 CO 0.10 0.79 0.11 0.00 0.09 0.00 0.00 178.44 179.53 2ww3 h ALA 275 N 1.29 0.27 -0.63 1.53 0.00 0.07 -1.96 119.26 119.82 2ww3 h ALA 275 Ca 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ww3 h ALA 275 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2ww3 h ALA 275 CO 0.02 -0.29 0.25 0.37 0.00 0.00 0.00 179.25 179.59 2ww3 h GLN 276 N 0.24 0.95 -0.70 0.00 5.75 -1.02 -0.03 115.11 120.31 2ww3 h GLN 276 Ca 0.09 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.36 2ww3 h GLN 276 Cb 0.02 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 2ww3 h GLN 276 CO -0.06 0.81 0.24 0.87 -2.65 0.00 0.00 178.83 178.04 2ww3 h LYS 277 N 0.89 1.06 -0.23 1.69 1.57 -1.19 0.22 116.57 120.58 2ww3 h LYS 277 Ca 0.21 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2ww3 h LYS 277 Cb 0.22 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2ww3 h LYS 277 CO -0.02 0.89 0.04 0.78 -0.57 0.00 0.00 179.45 180.57 2ww3 h GLY 278 N 1.08 0.41 0.39 3.86 0.00 -0.96 -0.43 103.07 107.42 2ww3 h GLY 278 Ca 0.23 -0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.37 2ww3 h GLY 278 CO -0.01 0.25 0.05 1.70 0.00 0.00 0.00 176.54 178.53 2ww3 h LYS 279 N 0.19 0.17 -0.28 4.80 3.64 -0.68 0.12 116.57 124.52 2ww3 h LYS 279 Ca 0.07 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2ww3 h LYS 279 Cb 0.31 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2ww3 h LYS 279 CO 0.00 0.11 0.13 -0.44 -2.27 0.00 0.00 179.45 176.99 2ww3 h ASP 280 N 0.17 0.18 -0.93 4.20 3.32 -0.48 0.72 116.42 123.61 2ww3 h ASP 280 Ca 0.22 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.30 2ww3 h ASP 280 Cb 0.29 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 2ww3 h ASP 280 CO -0.31 0.14 0.61 0.00 -1.72 0.00 0.00 179.24 177.96 2ww3 h ALA 281 N 1.15 1.18 -0.12 3.45 0.00 -0.47 -1.21 119.26 123.24 2ww3 h ALA 281 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2ww3 h ALA 281 Cb 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2ww3 h ALA 281 CO -0.09 0.55 -0.12 -1.49 0.00 0.00 0.00 179.25 178.10 2ww3 h TRP 282 N 1.24 0.36 -0.32 0.00 4.06 -0.30 -2.97 115.95 118.01 2ww3 h TRP 282 Ca 0.34 -0.11 0.09 0.00 2.06 0.00 0.00 58.89 61.28 2ww3 h TRP 282 Cb -0.12 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 27.95 2ww3 h TRP 282 CO -0.01 0.71 0.26 -0.91 -3.56 0.00 0.00 178.44 174.93 2ww3 h ASN 283 N -0.09 0.00 -0.34 -3.49 -0.26 -0.68 0.29 115.58 111.00 2ww3 h ASN 283 Ca 0.02 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.61 2ww3 h ASN 283 Cb 0.65 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.90 2ww3 h ASN 283 CO 0.03 0.00 -0.38 -0.61 -1.06 0.00 0.00 177.43 175.41 2ww3 h GLN 284 N 0.00 0.85 0.21 0.81 5.75 -1.06 -0.65 115.11 121.03 2ww3 h GLN 284 Ca 0.15 -0.47 -0.32 0.00 -0.15 0.00 0.00 58.65 57.87 2ww3 h GLN 284 Cb 0.67 0.02 0.03 0.00 1.07 0.00 0.00 27.48 29.28 2ww3 h GLN 284 CO -0.00 1.11 -1.42 -0.39 -2.65 0.00 0.00 178.83 175.47 2ww3 h VAL 285 N 0.64 1.34 -0.50 2.39 -1.51 -1.36 -3.33 116.25 113.92 2ww3 h VAL 285 Ca 0.05 -2.81 -0.10 0.00 -1.23 0.00 0.00 66.70 62.61 2ww3 h VAL 285 Cb 0.97 3.01 -0.02 0.00 -2.13 0.00 0.00 31.29 33.12 2ww3 h VAL 285 CO 0.09 0.84 -0.08 -0.07 -1.23 0.00 0.00 177.57 177.12 2ww3 h LEU 286 N 0.12 0.89 0.00 4.19 3.38 -0.98 -2.86 115.31 120.06 2ww3 h LEU 286 Ca -0.22 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2ww3 h LEU 286 Cb 2.11 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2ww3 h LEU 286 CO 0.25 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.39 2ww3 n GLY 287 N -0.40 -0.94 0.27 0.83 0.00 -0.25 -2.29 105.19 102.40 2ww3 n GLY 287 Ca 0.02 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.68 1.61 1.79 -1.61 -3.37 116.57 111.31 2ww3 h LYS 288 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2ww3 h LYS 288 Cb 0.19 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.45 2ww3 h LYS 288 CO 0.00 0.00 -0.77 0.42 -1.08 0.00 0.00 179.45 178.02 2ww3 s ILE 289 N -3.90 0.73 -0.25 1.86 1.01 -0.97 -0.43 121.20 119.26 2ww3 s ILE 289 Ca -0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.76 2ww3 s ILE 289 Cb 0.10 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2ww3 s ILE 289 CO 0.34 -0.25 0.12 -1.61 0.00 0.00 0.00 174.94 173.54 2ww3 s GLU 290 N 1.75 3.83 -0.07 2.79 2.02 -0.36 -4.95 118.70 123.72 2ww3 s GLU 290 Ca -0.01 -0.39 -0.00 0.00 0.02 0.00 0.00 54.97 54.59 2ww3 s GLU 290 Cb -0.17 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 2ww3 s GLU 290 CO -0.10 -0.11 -0.02 0.14 0.02 0.00 0.00 175.26 175.19 2ww3 s VAL 291 N 1.46 4.09 0.12 2.63 -7.23 -1.26 -0.39 120.40 119.81 2ww3 s VAL 291 Ca 0.06 -0.38 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 2ww3 s VAL 291 Cb -0.15 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2ww3 s VAL 291 CO 0.06 0.57 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.75 2ww3 s GLU 292 N -0.96 0.90 -0.49 4.82 2.02 0.15 -4.93 118.70 120.22 2ww3 s GLU 292 Ca 0.14 -1.38 -0.02 0.00 0.02 0.00 0.00 54.97 53.73 2ww3 s GLU 292 Cb -0.11 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 33.88 2ww3 s GLU 292 CO 0.03 -0.04 0.41 0.41 0.02 0.00 0.00 175.26 176.10 2ww3 n GLY 293 N -0.09 0.24 0.00 -1.39 0.00 -1.26 -1.97 105.19 100.72 2ww3 n GLY 293 Ca -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.06 4.40 3.87 -0.02 0.00 -1.26 -2.31 105.19 108.80 2ww3 n GLY 294 Ca -0.06 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.70 5.15 0.29 1.61 2.20 -1.26 -4.96 114.94 117.26 2ww3 s ASN 295 Ca 0.00 -0.64 0.04 0.00 -0.94 0.00 0.00 52.86 51.32 2ww3 s ASN 295 Cb 0.00 -0.74 0.68 0.00 -2.00 0.00 0.00 41.25 39.20 2ww3 s ASN 295 CO 0.00 -0.53 1.76 0.25 -2.94 0.00 0.00 177.10 175.65 2ww3 h LEU 296 N 1.12 0.67 -0.71 3.54 5.85 -2.02 -0.94 115.31 122.82 2ww3 h LEU 296 Ca -0.43 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.40 2ww3 h LEU 296 Cb 1.26 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 2ww3 h LEU 296 CO 0.58 0.23 0.47 0.44 -0.34 0.00 0.00 178.44 179.81 2ww3 h ASP 297 N 0.69 0.82 -0.18 1.25 3.32 -1.99 -0.77 116.42 119.56 2ww3 h ASP 297 Ca 0.55 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.41 2ww3 h ASP 297 Cb 0.85 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2ww3 h ASP 297 CO -0.39 0.61 -0.44 1.56 -1.72 0.00 0.00 179.24 178.85 2ww3 h GLN 298 N 0.97 0.74 -0.28 3.56 4.20 -1.60 0.12 115.11 122.82 2ww3 h GLN 298 Ca 0.26 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 2ww3 h GLN 298 Cb -0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2ww3 h GLN 298 CO -0.06 1.03 0.08 1.88 -0.67 0.00 0.00 178.83 181.09 2ww3 h TYR 299 N 0.59 0.46 -0.27 2.96 0.05 -0.96 -0.04 116.97 119.75 2ww3 h TYR 299 Ca 0.04 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2ww3 h TYR 299 Cb 1.00 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.59 2ww3 h TYR 299 CO 0.05 0.50 0.17 0.00 -1.05 0.00 0.00 178.16 177.83 2ww3 h ARG 300 N 0.29 0.37 -0.28 4.88 3.08 -0.98 -0.66 114.38 121.08 2ww3 h ARG 300 Ca 0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2ww3 h ARG 300 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2ww3 h ARG 300 CO -0.00 0.28 0.13 1.15 -1.07 0.00 0.00 179.97 180.45 2ww3 h THR 301 N 0.35 1.16 0.01 2.04 2.02 -0.72 -1.25 112.91 116.52 2ww3 h THR 301 Ca 0.10 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.85 2ww3 h THR 301 Cb -0.00 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2ww3 h THR 301 CO -0.02 0.16 -0.14 0.15 0.37 0.00 0.00 175.52 176.04 2ww3 h PHE 302 N 0.32 -0.36 0.00 3.16 3.57 -0.76 -0.78 116.94 122.09 2ww3 h PHE 302 Ca 0.10 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 2ww3 h PHE 302 Cb 0.13 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2ww3 h PHE 302 CO -0.02 -0.21 -0.49 1.88 -2.23 0.00 0.00 178.31 177.24 2ww3 h TYR 303 N -0.24 0.00 -0.26 0.41 0.05 -1.12 -0.04 116.97 115.78 2ww3 h TYR 303 Ca 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 2ww3 h TYR 303 Cb 0.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 2ww3 h TYR 303 CO -0.19 0.49 0.07 0.77 -1.05 0.00 0.00 178.16 178.25 2ww3 h SER 304 N 0.00 0.39 -0.86 3.88 0.02 -1.08 0.18 113.55 116.08 2ww3 h SER 304 Ca -0.00 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 2ww3 h SER 304 Cb 1.33 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 2ww3 h SER 304 CO 0.06 0.51 0.48 0.00 -1.14 0.00 0.00 176.83 176.75 2ww3 h LEU 306 N 1.20 0.56 -0.37 0.00 5.85 -0.75 -1.87 115.31 119.92 2ww3 h LEU 306 Ca 0.30 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2ww3 h LEU 306 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2ww3 h LEU 306 CO -0.05 0.70 0.11 0.22 -0.34 0.00 0.00 178.44 179.08 2ww3 h TYR 307 N 0.39 0.19 0.00 1.25 3.20 -0.28 -1.44 116.97 120.28 2ww3 h TYR 307 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2ww3 h TYR 307 Cb 0.40 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2ww3 h TYR 307 CO 0.03 0.06 -0.01 0.00 -1.64 0.00 0.00 178.16 176.60 2ww3 h ARG 308 N 0.25 0.00 -0.01 1.82 2.47 -0.93 -2.07 114.38 115.91 2ww3 h ARG 308 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2ww3 h ARG 308 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2ww3 h ARG 308 CO -0.20 0.01 -0.02 0.43 0.56 0.00 0.00 179.97 180.76 2ww3 n SER 309 N -3.21 0.75 -0.90 7.04 7.64 -0.55 -3.55 113.62 120.83 2ww3 n SER 309 Ca -0.02 -1.18 0.04 0.00 1.01 0.00 0.00 58.87 58.72 2ww3 n SER 309 Cb 0.13 -0.01 0.15 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.46 2.36 -0.04 -3.43 4.77 -0.78 -4.73 117.00 114.71 2ww3 n LEU 310 Ca 0.21 -3.47 -0.05 0.00 -0.03 0.00 0.00 56.01 52.67 2ww3 n LEU 310 Cb 0.24 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 2ww3 n LEU 310 CO 0.18 1.21 -0.73 0.18 -1.33 0.00 0.00 177.39 176.90 2ww3 n LEU 311 N -0.70 2.70 -4.23 2.23 4.77 -1.26 -1.09 117.00 119.41 2ww3 n LEU 311 Ca 0.17 -0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 2ww3 n LEU 311 Cb 0.81 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.56 2ww3 n LEU 311 CO -0.02 0.57 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.75 2ww3 s PHE 312 N -2.14 1.60 0.46 -1.77 0.40 -1.26 -3.67 117.98 111.59 2ww3 s PHE 312 Ca -0.09 -0.40 -0.24 0.00 -0.60 0.00 0.00 56.93 55.60 2ww3 s PHE 312 Cb 0.02 -0.91 -0.07 0.00 0.51 0.00 0.00 43.02 42.57 2ww3 s PHE 312 CO 0.17 0.12 1.26 -1.25 0.70 0.00 0.00 175.22 176.22 2ww3 s PRO 313 N -1.56 3.70 0.51 0.24 0.04 -1.26 -4.90 135.00 131.77 2ww3 s PRO 313 Ca 0.04 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 2ww3 s PRO 313 Cb -0.09 -2.51 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 2ww3 s PRO 313 CO 0.03 -0.67 1.00 -0.98 0.04 0.00 0.00 177.00 176.42 2ww3 s ARG 314 N -2.56 3.86 0.32 4.56 1.70 0.69 -4.71 118.95 122.81 2ww3 s ARG 314 Ca 0.63 1.11 -0.29 0.00 -0.47 0.00 0.00 55.73 56.70 2ww3 s ARG 314 Cb -0.35 -2.12 -0.12 0.00 -0.57 0.00 0.00 34.95 31.80 2ww3 s ARG 314 CO 0.43 -0.35 1.49 1.63 -1.08 0.00 0.00 175.30 177.42 2ww3 n LYS 315 N -1.37 2.53 -0.65 3.89 5.02 0.04 -1.92 118.16 125.70 2ww3 n LYS 315 Ca 0.08 0.89 0.05 0.00 -2.02 0.00 0.00 58.31 57.31 2ww3 n LYS 315 Cb 0.54 -2.61 0.11 0.00 -0.02 0.00 0.00 35.03 33.04 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 1.25 0.00 -4.48 2.13 7.35 0.31 -3.92 117.46 120.10 2ww3 n PHE 316 Ca 0.06 -0.84 -0.24 0.00 -0.76 0.00 0.00 57.45 55.66 2ww3 n PHE 316 Cb 0.37 -0.16 -0.10 0.00 0.35 0.00 0.00 39.48 39.93 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 -1.75 2.29 0.12 -5.13 -0.85 -1.22 -4.48 117.35 106.32 2ww3 s TYR 317 Ca 0.28 -0.38 0.01 0.00 -0.52 0.00 0.00 57.07 56.46 2ww3 s TYR 317 Cb 0.28 -1.08 -0.04 0.00 0.38 0.00 0.00 41.96 41.50 2ww3 s TYR 317 CO -0.05 0.67 -0.03 -1.21 -1.52 0.00 0.00 175.55 173.40 2ww3 s GLU 318 N -3.54 0.91 -0.29 -3.49 2.02 0.14 -4.93 118.70 109.52 2ww3 s GLU 318 Ca 0.30 -1.39 -0.12 0.00 0.02 0.00 0.00 54.97 53.78 2ww3 s GLU 318 Cb -0.03 -0.17 -0.04 0.00 0.10 0.00 0.00 34.13 33.99 2ww3 s GLU 318 CO 0.15 -0.07 0.22 -0.51 0.02 0.00 0.00 175.26 175.07 2ww3 s LEU 319 N -3.07 4.11 1.01 1.80 1.02 -1.26 -0.60 118.68 121.68 2ww3 s LEU 319 Ca 0.16 -0.05 -0.16 0.00 0.02 0.00 0.00 54.13 54.10 2ww3 s LEU 319 Cb 0.06 -2.16 0.20 0.00 0.02 0.00 0.00 46.19 44.31 2ww3 s LEU 319 CO -0.02 -0.10 1.21 1.51 0.02 0.00 0.00 176.35 178.97 2ww3 s ASP 320 N 1.74 2.67 0.54 2.29 1.47 -0.25 -4.80 116.67 120.34 2ww3 s ASP 320 Ca 0.08 0.56 0.33 0.00 1.18 0.00 0.00 52.55 54.69 2ww3 s ASP 320 Cb -0.16 -0.80 1.49 0.00 -0.34 0.00 0.00 42.92 43.11 2ww3 s ASP 320 CO 0.11 -3.04 1.87 0.00 0.68 0.00 0.00 175.17 174.79 2ww3 h ALA 321 N -1.84 2.87 -0.46 2.11 0.00 -1.98 0.60 119.26 120.54 2ww3 h ALA 321 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ww3 h ALA 321 Cb 1.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2ww3 h ALA 321 CO 0.44 -1.16 0.00 0.09 0.00 0.00 0.00 179.25 178.62 2ww3 n ASN 322 N -4.20 2.54 -0.45 0.00 3.02 -1.26 -4.90 115.26 110.01 2ww3 n ASN 322 Ca 0.19 -1.99 -0.06 0.00 -0.03 0.00 0.00 54.58 52.70 2ww3 n ASN 322 Cb 1.01 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.85 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 1.26 0.83 3.87 7.41 0.00 0.21 -5.02 105.19 113.75 2ww3 n GLY 323 Ca 0.16 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.48 3.70 0.11 1.61 -1.52 -1.25 -4.75 119.66 115.08 2ww3 s GLN 324 Ca 0.00 0.09 -0.31 0.00 -1.95 0.00 0.00 55.36 53.19 2ww3 s GLN 324 Cb 0.00 -3.04 -0.09 0.00 -0.22 0.00 0.00 33.01 29.67 2ww3 s GLN 324 CO 0.00 0.60 1.52 -1.25 -0.25 0.00 0.00 175.29 175.91 2ww3 s PRO 325 N -1.81 4.25 0.14 2.91 0.04 -1.26 -1.09 135.00 138.18 2ww3 s PRO 325 Ca 0.30 2.23 0.03 0.00 0.04 0.00 0.00 61.00 63.61 2ww3 s PRO 325 Cb -0.14 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2ww3 s PRO 325 CO 0.17 -0.59 -0.07 0.96 0.04 0.00 0.00 177.00 177.51 2ww3 s ILE 326 N 1.64 0.97 -0.10 0.56 -4.36 0.23 -1.10 121.20 119.04 2ww3 s ILE 326 Ca 0.69 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.91 2ww3 s ILE 326 Cb -0.39 -1.87 0.04 0.00 1.25 0.00 0.00 42.46 41.49 2ww3 s ILE 326 CO 0.31 -0.72 0.40 -1.38 0.24 0.00 0.00 174.94 173.78 2ww3 s HIS 327 N -3.46 -0.37 0.22 1.37 -3.43 0.96 0.28 115.29 110.86 2ww3 s HIS 327 Ca 0.17 0.81 -0.31 0.00 -0.80 0.00 0.00 55.06 54.93 2ww3 s HIS 327 Cb 0.04 0.15 -0.11 0.00 -1.43 0.00 0.00 32.58 31.24 2ww3 s HIS 327 CO -0.00 -0.31 1.58 -0.47 -2.00 0.00 0.00 174.74 173.54 2ww3 s TYR 328 N -0.45 2.95 -0.36 0.38 5.04 -1.26 -0.45 117.35 123.20 2ww3 s TYR 328 Ca -0.06 0.69 -0.25 0.00 -2.44 0.00 0.00 57.07 55.02 2ww3 s TYR 328 Cb -0.03 -3.98 0.01 0.00 0.35 0.00 0.00 41.96 38.31 2ww3 s TYR 328 CO 0.03 -3.48 0.86 0.45 -1.34 0.00 0.00 175.55 172.06 2ww3 s SER 329 N 0.83 6.64 0.00 4.32 0.15 0.82 -4.89 113.70 121.57 2ww3 s SER 329 Ca 0.67 0.52 0.16 0.00 0.70 0.00 0.00 55.95 58.01 2ww3 s SER 329 Cb -0.45 -2.43 0.98 0.00 -1.71 0.00 0.00 66.02 62.40 2ww3 s SER 329 CO 0.38 -0.78 1.47 -0.81 1.20 0.00 0.00 173.24 174.70 2ww3 n PRO 330 N 6.56 0.76 -0.11 5.44 -0.04 -1.26 -0.60 135.00 145.75 2ww3 n PRO 330 Ca 0.05 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 2ww3 n PRO 330 Cb 0.48 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.83 0.00 -0.49 0.54 4.01 -1.26 -4.08 117.16 115.05 2ww3 n TYR 331 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 2ww3 n TYR 331 Cb 0.06 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.25 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 -3.19 0.92 0.00 7.72 0.23 -1.21 -4.83 115.26 114.90 2ww3 n ASN 332 Ca -0.39 -1.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 2ww3 n ASN 332 Cb 0.90 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.60 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 -0.21 0.26 3.91 4.83 0.00 0.23 -4.99 105.19 109.23 2ww3 n GLY 333 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.89 2.03 -0.20 1.61 -0.21 -1.26 -4.71 119.66 116.04 2ww3 s GLN 334 Ca 0.00 -0.02 -0.03 0.00 0.02 0.00 0.00 55.36 55.33 2ww3 s GLN 334 Cb 0.00 -2.03 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 2ww3 s GLN 334 CO 0.00 -1.48 -0.05 0.08 -2.12 0.00 0.00 175.29 171.72 2ww3 s VAL 335 N -3.47 3.38 0.06 1.09 1.01 -1.26 -0.13 120.40 121.08 2ww3 s VAL 335 Ca 0.61 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.13 2ww3 s VAL 335 Cb -0.11 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2ww3 s VAL 335 CO 0.48 0.44 -0.11 -0.76 0.00 0.00 0.00 175.10 175.15 2ww3 s LEU 336 N 1.25 2.29 0.59 3.92 1.43 0.40 -4.93 118.68 123.64 2ww3 s LEU 336 Ca 0.03 -0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 2ww3 s LEU 336 Cb -0.14 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 2ww3 s LEU 336 CO -0.02 -0.17 1.11 -2.16 0.23 0.00 0.00 176.35 175.34 2ww3 s PRO 337 N -1.89 3.18 0.00 1.29 0.04 -1.26 -0.03 135.00 136.33 2ww3 s PRO 337 Ca -0.04 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2ww3 s PRO 337 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2ww3 s PRO 337 CO 0.01 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2ww3 n GLY 338 N -0.23 1.47 3.81 0.56 0.00 -0.26 -4.79 105.19 105.75 2ww3 n GLY 338 Ca 0.11 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.62 3.10 -0.18 1.61 2.02 -1.26 -3.99 117.35 117.03 2ww3 s TYR 339 Ca 0.00 1.55 -0.15 0.00 -0.37 0.00 0.00 57.07 58.10 2ww3 s TYR 339 Cb 0.00 -2.98 0.05 0.00 -0.40 0.00 0.00 41.96 38.63 2ww3 s TYR 339 CO 0.00 -0.74 0.47 1.41 -1.57 0.00 0.00 175.55 175.13 2ww3 s MET 340 N -3.57 0.53 0.16 -0.62 -2.45 -1.26 -4.02 119.30 108.08 2ww3 s MET 340 Ca 0.64 0.70 0.02 0.00 -1.25 0.00 0.00 55.69 55.81 2ww3 s MET 340 Cb -0.14 0.22 -0.05 0.00 1.25 0.00 0.00 34.83 36.11 2ww3 s MET 340 CO 0.25 -0.08 -0.02 -0.06 1.05 0.00 0.00 175.02 176.15 2ww3 s PHE 341 N 0.49 1.21 0.10 4.11 0.40 -1.26 -0.53 117.98 122.50 2ww3 s PHE 341 Ca -0.02 -0.96 -0.05 0.00 -0.60 0.00 0.00 56.93 55.30 2ww3 s PHE 341 Cb -0.04 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.83 2ww3 s PHE 341 CO -0.02 -0.15 0.26 -2.37 0.70 0.00 0.00 175.22 173.64 2ww3 n THR 342 N -0.23 0.00 -3.01 0.64 5.66 -0.81 -4.85 114.28 111.68 2ww3 n THR 342 Ca -0.08 -0.25 -0.13 0.00 -3.05 0.00 0.00 64.05 60.54 2ww3 n THR 342 Cb 0.63 0.27 0.06 0.00 -1.55 0.00 0.00 70.33 69.74 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 -1.04 -4.76 -3.74 1.09 8.00 -0.48 -0.22 116.55 115.40 2ww3 n ASP 343 Ca -0.02 -0.56 -0.13 0.00 0.71 0.00 0.00 54.79 54.78 2ww3 n ASP 343 Cb 0.18 -4.37 -0.08 0.00 -0.02 0.00 0.00 41.12 36.82 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 -3.31 0.06 -0.26 -3.53 -1.32 -1.13 -4.40 115.64 101.75 2ww3 s THR 344 Ca 0.27 -0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 60.25 2ww3 s THR 344 Cb -0.04 -0.71 0.03 0.00 -1.51 0.00 0.00 72.50 70.27 2ww3 s THR 344 CO 0.61 -0.26 -0.04 -0.83 -2.21 0.00 0.00 174.62 171.89 2ww3 s GLY 345 N -1.48 1.66 0.58 6.08 0.00 -1.26 -2.26 107.32 110.64 2ww3 s GLY 345 Ca -0.12 -1.48 0.31 0.00 0.00 0.00 0.00 44.72 43.43 2ww3 s GLY 345 CO 0.03 0.55 2.20 0.74 0.00 0.00 0.00 173.10 176.62 2ww3 h PHE 346 N 8.04 0.00 -0.64 1.90 0.04 -1.42 0.58 116.94 125.45 2ww3 h PHE 346 Ca -0.31 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.57 2ww3 h PHE 346 Cb 1.11 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.22 2ww3 h PHE 346 CO 0.59 0.05 0.43 2.35 -0.60 0.00 0.00 178.31 181.12 2ww3 h TRP 347 N 0.00 0.45 0.00 -0.55 7.01 -1.83 -0.38 115.95 120.65 2ww3 h TRP 347 Ca -0.00 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.96 2ww3 h TRP 347 Cb 0.15 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 2ww3 h TRP 347 CO 0.00 0.20 -0.35 -0.44 -2.79 0.00 0.00 178.44 175.06 2ww3 h ASP 348 N 0.41 0.00 0.27 2.65 3.45 -1.31 -3.43 116.42 118.45 2ww3 h ASP 348 Ca 0.30 -0.57 0.00 0.00 0.43 0.00 0.00 57.03 57.19 2ww3 h ASP 348 Cb 0.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 2ww3 h ASP 348 CO -0.09 0.98 -0.35 0.35 -1.57 0.00 0.00 179.24 178.57 2ww3 n THR 349 N -4.60 0.00 0.23 0.35 -2.24 -0.57 -3.36 114.28 104.08 2ww3 n THR 349 Ca -0.13 -0.11 0.08 0.00 -2.27 0.00 0.00 64.05 61.62 2ww3 n THR 349 Cb 0.40 0.44 0.53 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.00 0.00 0.15 4.78 -0.00 -1.35 -2.49 116.94 119.02 2ww3 h PHE 350 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 2ww3 h PHE 350 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.47 2ww3 h PHE 350 CO 0.00 0.23 -0.07 0.00 -0.00 0.00 0.00 178.31 178.47 2ww3 h ARG 351 N 0.00 -0.20 0.00 6.09 3.08 -1.79 -3.42 114.38 118.14 2ww3 h ARG 351 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ww3 h ARG 351 Cb 0.49 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2ww3 h ARG 351 CO 0.03 0.03 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 2ww3 h LEU 353 N 0.00 -0.38 -0.53 0.00 7.12 -1.81 -0.31 115.31 119.40 2ww3 h LEU 353 Ca 0.00 -0.14 -0.15 0.00 0.13 0.00 0.00 57.88 57.72 2ww3 h LEU 353 Cb 0.01 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 2ww3 h LEU 353 CO 0.00 -0.05 -0.39 -0.26 -0.13 0.00 0.00 178.44 177.62 2ww3 h PHE 354 N -0.73 0.91 -0.84 1.25 0.04 -1.71 -1.79 116.94 114.07 2ww3 h PHE 354 Ca -0.05 -0.27 0.06 0.00 2.80 0.00 0.00 57.97 60.52 2ww3 h PHE 354 Cb 0.50 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 2ww3 h PHE 354 CO 0.01 1.03 0.55 -1.35 -0.60 0.00 0.00 178.31 177.95 2ww3 h PRO 355 N 0.63 0.92 -0.79 1.51 0.11 -1.80 -0.80 132.00 131.78 2ww3 h PRO 355 Ca 0.05 -0.06 0.08 0.00 0.11 0.00 0.00 66.00 66.19 2ww3 h PRO 355 Cb 0.94 -0.21 -0.07 0.00 0.11 0.00 0.00 31.00 31.77 2ww3 h PRO 355 CO 0.09 0.61 0.46 1.25 -0.21 0.00 0.00 178.00 180.19 2ww3 h LEU 356 N 0.95 0.67 -0.61 2.35 5.85 -0.17 -1.20 115.31 123.16 2ww3 h LEU 356 Ca 0.36 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2ww3 h LEU 356 Cb 0.19 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2ww3 h LEU 356 CO -0.13 0.41 0.32 -0.07 -0.34 0.00 0.00 178.44 178.63 2ww3 h LEU 357 N 0.80 0.77 -1.76 2.25 3.38 -0.87 -0.70 115.31 119.17 2ww3 h LEU 357 Ca 0.37 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2ww3 h LEU 357 Cb 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2ww3 h LEU 357 CO -0.22 0.65 -0.15 0.78 0.09 0.00 0.00 178.44 179.60 2ww3 h ASN 358 N 0.82 0.00 0.01 -0.43 -0.26 -0.20 0.36 115.58 115.89 2ww3 h ASN 358 Ca 0.21 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.95 2ww3 h ASN 358 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 2ww3 h ASN 358 CO -0.03 0.15 -0.01 0.25 -1.06 0.00 0.00 177.43 176.73 2ww3 h LEU 359 N 0.00 -0.01 0.00 1.61 5.85 -0.94 -3.41 115.31 118.41 2ww3 h LEU 359 Ca -0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2ww3 h LEU 359 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2ww3 h LEU 359 CO 0.02 0.75 -1.69 0.23 -0.34 0.00 0.00 178.44 177.41 2ww3 n MET 360 N -4.70 0.57 -2.79 1.25 2.81 -0.30 -4.69 117.12 109.27 2ww3 n MET 360 Ca -0.06 -0.14 -0.11 0.00 -1.81 0.00 0.00 57.70 55.58 2ww3 n MET 360 Cb 0.27 -1.38 0.02 0.00 -0.71 0.00 0.00 33.22 31.42 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 -2.03 0.79 0.18 2.03 4.01 0.11 -4.60 117.16 117.65 2ww3 n TYR 361 Ca -0.03 -3.01 0.03 0.00 -0.16 0.00 0.00 57.90 54.73 2ww3 n TYR 361 Cb 0.42 -0.32 0.38 0.00 -0.31 0.00 0.00 39.34 39.51 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 2.98 0.06 -0.25 -0.72 0.13 -1.43 -0.19 132.00 132.57 2ww3 h PRO 362 Ca -0.06 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.13 2ww3 h PRO 362 Cb 1.13 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2ww3 h PRO 362 CO 0.48 0.35 0.19 0.66 -0.23 0.00 0.00 178.00 179.45 2ww3 h SER 363 N 0.05 0.00 0.16 1.44 4.64 -1.93 -1.01 113.55 116.90 2ww3 h SER 363 Ca 0.01 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.09 2ww3 h SER 363 Cb 0.55 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.67 2ww3 h SER 363 CO 0.04 0.00 -1.04 0.58 -0.87 0.00 0.00 176.83 175.54 2ww3 h VAL 364 N 0.00 1.41 0.00 0.95 2.07 -1.39 -3.21 116.25 116.08 2ww3 h VAL 364 Ca 0.12 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 2ww3 h VAL 364 Cb 0.49 3.04 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2ww3 h VAL 364 CO -0.00 0.74 -0.06 -1.13 0.02 0.00 0.00 177.57 177.14 2ww3 h ASN 365 N -0.12 0.00 -0.49 0.57 -1.24 -1.21 -2.09 115.58 111.00 2ww3 h ASN 365 Ca -0.18 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.79 2ww3 h ASN 365 Cb 1.80 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.83 2ww3 h ASN 365 CO 0.20 0.06 0.13 0.50 -1.29 0.00 0.00 177.43 177.02 2ww3 h LYS 366 N 0.00 0.79 -0.61 6.67 1.63 -1.20 0.32 116.57 124.17 2ww3 h LYS 366 Ca -0.00 -0.19 -0.04 0.00 -0.85 0.00 0.00 60.65 59.58 2ww3 h LYS 366 Cb 0.22 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 2ww3 h LYS 366 CO 0.01 0.76 0.23 0.93 -3.45 0.00 0.00 179.45 177.93 2ww3 h GLU 367 N 0.67 0.92 -0.37 1.90 5.08 -1.42 -1.70 114.58 119.67 2ww3 h GLU 367 Ca 0.16 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2ww3 h GLU 367 Cb 0.32 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2ww3 h GLU 367 CO 0.00 0.79 -0.03 0.52 -1.00 0.00 0.00 179.01 179.29 2ww3 h MET 368 N 0.86 0.67 -0.80 2.33 2.86 -1.05 0.12 114.93 119.91 2ww3 h MET 368 Ca 0.20 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2ww3 h MET 368 Cb 0.22 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2ww3 h MET 368 CO -0.01 0.80 0.46 1.96 1.06 0.00 0.00 176.91 181.17 2ww3 h GLN 369 N 0.48 1.10 -0.85 1.72 1.08 -0.31 0.37 115.11 118.70 2ww3 h GLN 369 Ca 0.10 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2ww3 h GLN 369 Cb 0.52 -0.22 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 2ww3 h GLN 369 CO 0.03 0.80 0.56 0.93 -0.95 0.00 0.00 178.83 180.19 2ww3 h GLU 370 N 1.10 1.13 -0.97 1.46 4.39 -0.88 -1.06 114.58 119.75 2ww3 h GLU 370 Ca 0.28 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.94 2ww3 h GLU 370 Cb -0.00 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 28.34 2ww3 h GLU 370 CO -0.05 0.75 0.64 0.78 -1.16 0.00 0.00 179.01 179.97 2ww3 h GLY 371 N 1.16 1.41 1.00 -3.84 0.00 0.17 -2.02 103.07 100.94 2ww3 h GLY 371 Ca 0.31 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2ww3 h GLY 371 CO -0.07 0.44 0.22 1.41 0.00 0.00 0.00 176.54 178.54 2ww3 h LEU 372 N 1.26 0.84 -0.62 3.11 3.38 0.83 0.02 115.31 124.13 2ww3 h LEU 372 Ca 0.38 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.24 2ww3 h LEU 372 Cb -0.05 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 2ww3 h LEU 372 CO -0.11 0.80 0.28 0.40 0.09 0.00 0.00 178.44 179.90 2ww3 h ILE 373 N 0.83 0.85 -0.45 1.22 1.08 -0.81 -2.33 117.51 117.89 2ww3 h ILE 373 Ca 0.20 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.44 2ww3 h ILE 373 Cb 0.24 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 2ww3 h ILE 373 CO -0.01 0.09 0.08 0.78 -0.69 0.00 0.00 178.15 178.40 2ww3 h ASN 374 N 0.51 0.64 -0.86 1.72 -0.26 -0.59 -1.05 115.58 115.68 2ww3 h ASN 374 Ca 0.30 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 2ww3 h ASN 374 Cb 0.30 -0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.35 2ww3 h ASN 374 CO -0.25 0.66 0.49 0.74 -1.06 0.00 0.00 177.43 178.00 2ww3 h THR 375 N 0.66 1.25 -0.09 2.81 2.02 -0.54 -0.76 112.91 118.26 2ww3 h THR 375 Ca 0.15 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 2ww3 h THR 375 Cb 0.29 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2ww3 h THR 375 CO 0.00 0.27 -0.11 0.22 0.37 0.00 0.00 175.52 176.27 2ww3 h TYR 376 N 1.21 0.29 -0.62 3.16 3.20 -0.90 -1.39 116.97 121.92 2ww3 h TYR 376 Ca 0.31 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 62.13 2ww3 h TYR 376 Cb 0.01 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 2ww3 h TYR 376 CO 0.01 0.69 0.41 -0.07 -1.64 0.00 0.00 178.16 177.56 2ww3 h LEU 377 N -0.19 0.58 0.00 2.82 3.38 -1.08 0.57 115.31 121.40 2ww3 h LEU 377 Ca 0.01 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2ww3 h LEU 377 Cb 0.65 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2ww3 h LEU 377 CO 0.03 0.39 -1.14 -0.33 0.09 0.00 0.00 178.44 177.48 2ww3 h GLU 378 N 0.67 0.00 0.00 1.13 5.08 -1.08 -3.40 114.58 116.98 2ww3 h GLU 378 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2ww3 h GLU 378 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2ww3 h GLU 378 CO -0.07 0.20 -0.77 -1.13 -1.00 0.00 0.00 179.01 176.23 2ww3 n SER 379 N -2.86 3.87 0.00 1.42 3.41 -0.53 -4.39 113.62 114.54 2ww3 n SER 379 Ca -0.05 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 2ww3 n SER 379 Cb 0.72 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 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 2.05 2.38 3.02 5.00 0.00 0.18 -5.04 105.19 112.77 2ww3 n GLY 380 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.48 0.57 0.60 1.61 0.40 -1.25 -4.95 117.98 112.47 2ww3 s PHE 381 Ca 0.00 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 55.77 2ww3 s PHE 381 Cb 0.00 -0.35 -0.03 0.00 0.51 0.00 0.00 43.02 43.15 2ww3 s PHE 381 CO 0.00 -0.07 1.20 -0.06 0.70 0.00 0.00 175.22 176.99 2ww3 s PHE 382 N -0.99 2.41 0.53 0.36 0.08 -1.26 -3.65 117.98 115.46 2ww3 s PHE 382 Ca -0.07 1.52 -0.12 0.00 0.12 0.00 0.00 56.93 58.39 2ww3 s PHE 382 Cb -0.07 -3.45 -0.05 0.00 -0.57 0.00 0.00 43.02 38.87 2ww3 s PHE 382 CO 0.00 -2.16 0.93 -1.25 -0.10 0.00 0.00 175.22 172.65 2ww3 s PRO 383 N -3.39 3.72 -0.01 0.24 0.04 -1.26 -4.50 135.00 129.83 2ww3 s PRO 383 Ca 0.76 0.67 -0.03 0.00 0.04 0.00 0.00 61.00 62.44 2ww3 s PRO 383 Cb -0.29 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 2ww3 s PRO 383 CO 0.33 -0.33 -0.05 0.39 0.04 0.00 0.00 177.00 177.38 2ww3 n GLU 384 N -2.09 0.08 -4.19 4.56 -0.58 -1.26 -4.56 120.64 112.60 2ww3 n GLU 384 Ca 0.05 0.03 -0.34 0.00 -0.42 0.00 0.00 57.16 56.47 2ww3 n GLU 384 Cb 0.54 -0.45 -0.12 0.00 -0.57 0.00 0.00 31.44 30.83 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 -1.50 3.03 -0.04 -0.32 -0.00 -1.26 -0.98 118.94 117.87 2ww3 s TRP 385 Ca -0.04 -0.41 0.02 0.00 -0.00 0.00 0.00 56.10 55.67 2ww3 s TRP 385 Cb 0.01 -2.04 0.01 0.00 -0.00 0.00 0.00 33.47 31.45 2ww3 s TRP 385 CO 0.06 -0.17 -0.10 0.00 -0.00 0.00 0.00 176.95 176.74 2ww3 s ALA 386 N 0.77 1.01 -0.38 5.86 0.00 -0.96 -1.60 121.76 126.47 2ww3 s ALA 386 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 2ww3 s ALA 386 Cb -0.14 -0.43 0.19 0.00 0.00 0.00 0.00 23.12 22.74 2ww3 s ALA 386 CO 0.02 0.12 0.89 0.45 0.00 0.00 0.00 175.76 177.24 2ww3 s SER 387 N 0.45 -0.82 0.21 0.00 0.15 -1.26 -1.38 113.70 111.06 2ww3 s SER 387 Ca -0.08 -0.58 0.16 0.00 0.70 0.00 0.00 55.95 56.15 2ww3 s SER 387 Cb -0.12 1.05 0.01 0.00 -1.71 0.00 0.00 66.02 65.25 2ww3 s SER 387 CO 0.02 -0.07 1.25 1.55 1.20 0.00 0.00 173.24 177.18 2ww3 h PRO 388 N 5.61 0.00 0.00 5.44 0.13 -1.78 -3.42 132.00 137.98 2ww3 h PRO 388 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2ww3 h PRO 388 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ww3 h PRO 388 CO -0.02 0.41 0.00 0.41 -0.23 0.00 0.00 178.00 178.57 2ww3 n GLY 389 N 1.27 1.15 3.71 1.56 0.00 0.27 -4.66 105.19 108.49 2ww3 n GLY 389 Ca -0.01 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 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 0.78 2.71 0.06 1.61 3.76 -1.26 -4.23 115.29 118.72 2ww3 s HIS 390 Ca 0.00 0.33 0.07 0.00 -0.15 0.00 0.00 55.06 55.31 2ww3 s HIS 390 Cb 0.00 -4.07 -0.03 0.00 1.11 0.00 0.00 32.58 29.59 2ww3 s HIS 390 CO 0.00 -4.14 -0.19 1.03 -0.85 0.00 0.00 174.74 170.59 2ww3 s ARG 391 N 1.73 1.17 -0.51 1.40 1.81 -0.62 -4.33 118.95 119.59 2ww3 s ARG 391 Ca 0.75 -0.97 -0.24 0.00 -1.72 0.00 0.00 55.73 53.54 2ww3 s ARG 391 Cb -0.46 -1.30 0.04 0.00 -0.45 0.00 0.00 34.95 32.78 2ww3 s ARG 391 CO 0.33 0.32 0.89 0.20 -0.68 0.00 0.00 175.30 176.36 2ww3 s GLY 392 N -1.44 1.47 -0.28 -3.53 0.00 -1.26 -4.48 107.32 97.81 2ww3 s GLY 392 Ca 0.05 -1.11 -0.25 0.00 0.00 0.00 0.00 44.72 43.41 2ww3 s GLY 392 CO 0.02 1.97 1.10 0.00 0.00 0.00 0.00 173.10 176.20 2ww3 n MET 394 N 2.01 0.00 -4.18 0.00 2.81 -1.26 -4.65 117.12 111.84 2ww3 n MET 394 Ca -0.12 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.61 2ww3 n MET 394 Cb 0.56 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.01 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 -4.74 120.40 109.20 2ww3 s VAL 395 Ca 0.00 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 2ww3 s VAL 395 Cb 0.00 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.39 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 -0.55 0.09 2.44 2.32 0.00 -1.26 -4.67 105.19 103.56 2ww3 n GLY 396 Ca 0.04 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.61 3.58 0.00 1.61 4.05 -1.26 -4.86 115.26 117.77 2ww3 n ASN 397 Ca 0.00 -3.23 0.11 0.00 0.45 0.00 0.00 54.58 51.92 2ww3 n ASN 397 Cb 0.00 -0.44 0.66 0.00 1.23 0.00 0.00 39.78 41.23 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 -0.49 0.00 -0.19 1.20 4.13 -1.26 -1.91 115.26 116.73 2ww3 n ASN 398 Ca 0.29 -0.60 0.13 0.00 1.68 0.00 0.00 54.58 56.08 2ww3 n ASN 398 Cb 0.81 -0.05 0.45 0.00 -1.54 0.00 0.00 39.78 39.46 2ww3 n ASN 398 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ww3 h SER 399 N 0.00 0.49 -0.86 6.41 4.64 -1.90 -2.09 113.55 120.24 2ww3 h SER 399 Ca 0.00 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 2ww3 h SER 399 Cb 0.03 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 2ww3 h SER 399 CO 0.00 0.26 0.53 0.00 -0.87 0.00 0.00 176.83 176.75 2ww3 h ALA 400 N 1.63 1.17 -0.16 5.18 0.00 -1.74 0.10 119.26 125.45 2ww3 h ALA 400 Ca 0.38 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2ww3 h ALA 400 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2ww3 h ALA 400 CO -0.14 0.28 0.00 1.03 0.00 0.00 0.00 179.25 180.42 2ww3 h SER 401 N 0.97 0.28 -0.27 0.00 0.87 -1.62 -0.78 113.55 112.99 2ww3 h SER 401 Ca 0.37 -0.31 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 2ww3 h SER 401 Cb 0.16 -0.07 -0.08 0.00 -0.44 0.00 0.00 62.40 61.97 2ww3 h SER 401 CO -0.17 0.52 -0.30 0.40 -0.53 0.00 0.00 176.83 176.74 2ww3 h ILE 402 N 0.03 0.29 -0.32 2.23 1.08 -0.89 0.35 117.51 120.28 2ww3 h ILE 402 Ca 0.05 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.41 2ww3 h ILE 402 Cb 0.38 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 2ww3 h ILE 402 CO 0.01 0.00 -0.22 -0.07 -0.69 0.00 0.00 178.15 177.18 2ww3 h LEU 403 N -0.30 0.74 -0.10 1.44 3.38 -0.91 -2.65 115.31 116.92 2ww3 h LEU 403 Ca 0.14 -0.44 -0.21 0.00 0.09 0.00 0.00 57.88 57.46 2ww3 h LEU 403 Cb 0.52 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2ww3 h LEU 403 CO -0.44 1.02 -0.77 0.58 0.09 0.00 0.00 178.44 178.92 2ww3 h VAL 404 N 0.47 1.30 -0.71 1.22 2.07 -0.98 -2.34 116.25 117.28 2ww3 h VAL 404 Ca 0.06 -2.00 0.06 0.00 0.82 0.00 0.00 66.70 65.64 2ww3 h VAL 404 Cb 0.77 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 2ww3 h VAL 404 CO 0.06 0.62 0.41 -0.78 0.02 0.00 0.00 177.57 177.90 2ww3 h ASP 405 N 0.39 0.61 0.23 0.57 3.58 -0.32 -1.19 116.42 120.29 2ww3 h ASP 405 Ca -0.07 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2ww3 h ASP 405 Cb 1.41 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.37 2ww3 h ASP 405 CO 0.16 0.39 -0.11 0.00 -2.88 0.00 0.00 179.24 176.80 2ww3 h ALA 406 N 1.36 -0.31 -0.34 -0.78 0.00 -1.42 -2.53 119.26 115.25 2ww3 h ALA 406 Ca 0.32 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2ww3 h ALA 406 Cb 0.19 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2ww3 h ALA 406 CO -0.18 -0.64 0.13 -0.92 0.00 0.00 0.00 179.25 177.64 2ww3 h TYR 407 N -0.36 0.24 0.00 0.00 5.03 -1.10 0.52 116.97 121.30 2ww3 h TYR 407 Ca -0.03 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2ww3 h TYR 407 Cb 0.28 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.50 2ww3 h TYR 407 CO -0.05 0.11 0.00 0.52 -1.32 0.00 0.00 178.16 177.43 2ww3 h MET 408 N 0.29 0.00 -0.65 1.82 2.86 -1.25 -2.07 114.93 115.94 2ww3 h MET 408 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2ww3 h MET 408 Cb 0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2ww3 h MET 408 CO -0.14 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.46 2ww3 n LYS 409 N -2.86 3.08 -0.30 1.72 5.02 -0.53 -4.94 118.16 119.35 2ww3 n LYS 409 Ca -0.01 -2.67 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 2ww3 n LYS 409 Cb 0.18 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.28 0.67 3.40 0.72 0.00 -0.78 -5.00 105.19 105.49 2ww3 n GLY 410 Ca 0.23 0.00 -0.45 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 -2.55 5.09 -0.22 1.61 1.01 0.06 -4.99 120.40 120.42 2ww3 s VAL 411 Ca 0.00 -1.95 -0.06 0.00 0.00 0.00 0.00 61.98 59.98 2ww3 s VAL 411 Cb 0.00 -4.65 -0.02 0.00 0.00 0.00 0.00 36.38 31.70 2ww3 s VAL 411 CO 0.00 -1.31 0.01 -0.54 0.00 0.00 0.00 175.10 173.26 2ww3 s LYS 412 N 1.65 3.58 0.69 2.72 1.02 -1.26 -2.97 119.74 125.17 2ww3 s LYS 412 Ca 0.27 -0.53 -0.13 0.00 0.02 0.00 0.00 55.97 55.59 2ww3 s LYS 412 Cb -0.07 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2ww3 s LYS 412 CO -0.09 -0.10 1.10 0.14 -0.92 0.00 0.00 175.35 175.48 2ww3 s VAL 413 N 1.30 3.31 0.16 3.17 -7.23 -1.26 -4.95 120.40 114.90 2ww3 s VAL 413 Ca 0.04 0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 60.65 2ww3 s VAL 413 Cb -0.15 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.74 2ww3 s VAL 413 CO 0.01 -0.44 1.56 0.44 -0.31 0.00 0.00 175.10 176.35 2ww3 h ASP 414 N -0.34 1.01 -3.57 4.85 3.32 -1.98 -3.37 116.42 116.34 2ww3 h ASP 414 Ca -0.46 -0.38 -0.77 0.00 0.02 0.00 0.00 57.03 55.44 2ww3 h ASP 414 Cb 1.24 -0.28 -0.30 0.00 0.22 0.00 0.00 39.33 40.21 2ww3 h ASP 414 CO 0.53 1.17 0.21 -0.62 -1.72 0.00 0.00 179.24 178.81 2ww3 s ASP 415 N -6.68 6.78 0.48 6.45 2.15 -1.26 -4.86 116.67 119.72 2ww3 s ASP 415 Ca -0.12 -3.47 0.26 0.00 0.43 0.00 0.00 52.55 49.66 2ww3 s ASP 415 Cb 0.12 -2.11 1.17 0.00 -0.30 0.00 0.00 42.92 41.80 2ww3 s ASP 415 CO 0.87 -0.30 1.94 -0.29 -0.17 0.00 0.00 175.17 177.21 2ww3 h ILE 416 N 4.01 0.51 -0.15 4.11 2.10 -2.00 -2.67 117.51 123.44 2ww3 h ILE 416 Ca 0.15 -0.85 -0.04 0.00 1.08 0.00 0.00 64.86 65.20 2ww3 h ILE 416 Cb 0.88 1.58 -0.00 0.00 -1.09 0.00 0.00 36.82 38.20 2ww3 h ILE 416 CO 0.92 0.17 -0.08 0.50 -1.08 0.00 0.00 178.15 178.58 2ww3 h LYS 417 N 0.00 0.31 -0.82 2.19 3.64 -1.96 -2.00 116.57 117.93 2ww3 h LYS 417 Ca -0.00 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2ww3 h LYS 417 Cb 0.57 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2ww3 h LYS 417 CO 0.02 0.64 0.54 1.15 -2.27 0.00 0.00 179.45 179.54 2ww3 h THR 418 N -0.03 1.21 0.06 1.00 2.02 -1.95 -1.61 112.91 113.61 2ww3 h THR 418 Ca 0.03 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.85 2ww3 h THR 418 Cb 0.55 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 2ww3 h THR 418 CO 0.02 0.20 -0.48 0.25 0.37 0.00 0.00 175.52 175.88 2ww3 h LEU 419 N 1.11 -1.46 -0.74 2.58 5.85 -1.32 0.41 115.31 121.75 2ww3 h LEU 419 Ca 0.30 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 2ww3 h LEU 419 Cb -0.13 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2ww3 h LEU 419 CO -0.07 -0.52 0.40 0.22 -0.34 0.00 0.00 178.44 178.14 2ww3 h TYR 420 N -0.68 1.01 -0.60 1.25 3.20 -1.15 -1.28 116.97 118.72 2ww3 h TYR 420 Ca 0.02 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2ww3 h TYR 420 Cb 0.71 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2ww3 h TYR 420 CO -0.44 0.72 0.33 0.93 -1.64 0.00 0.00 178.16 178.05 2ww3 h GLU 421 N 1.02 0.84 -0.83 1.82 5.08 -1.09 -1.03 114.58 120.38 2ww3 h GLU 421 Ca 0.26 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2ww3 h GLU 421 Cb 0.04 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 2ww3 h GLU 421 CO -0.04 0.64 0.54 0.78 -1.00 0.00 0.00 179.01 179.92 2ww3 h GLY 422 N 0.82 1.19 0.95 -3.84 0.00 -0.44 0.19 103.07 101.94 2ww3 h GLY 422 Ca 0.21 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2ww3 h GLY 422 CO -0.03 0.36 0.16 1.41 0.00 0.00 0.00 176.54 178.44 2ww3 h LEU 423 N 1.06 0.57 -0.37 3.11 3.38 -0.75 -2.29 115.31 120.01 2ww3 h LEU 423 Ca 0.32 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2ww3 h LEU 423 Cb -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2ww3 h LEU 423 CO -0.10 0.58 0.15 0.40 0.09 0.00 0.00 178.44 179.56 2ww3 h ILE 424 N 0.52 1.19 -0.85 1.22 1.08 -0.90 -2.78 117.51 116.99 2ww3 h ILE 424 Ca 0.14 -0.58 0.10 0.00 -0.39 0.00 0.00 64.86 64.14 2ww3 h ILE 424 Cb 0.19 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 2ww3 h ILE 424 CO -0.01 0.21 0.55 -0.74 -0.69 0.00 0.00 178.15 177.47 2ww3 h HIS 425 N 0.45 0.85 0.00 1.37 2.76 -0.85 -1.40 115.15 118.34 2ww3 h HIS 425 Ca 0.12 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2ww3 h HIS 425 Cb 0.18 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 2ww3 h HIS 425 CO -0.00 0.38 -0.01 0.78 -1.30 0.00 0.00 177.93 177.78 2ww3 h GLY 426 N 0.78 0.00 1.67 5.26 0.00 -1.13 -2.88 103.07 106.77 2ww3 h GLY 426 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2ww3 h GLY 426 CO -0.17 0.00 -0.19 -1.30 0.00 0.00 0.00 176.54 174.88 2ww3 n THR 427 N -3.10 0.15 -2.30 4.70 -2.24 -0.53 -3.16 114.28 107.80 2ww3 n THR 427 Ca 0.01 -0.08 0.03 0.00 -2.27 0.00 0.00 64.05 61.74 2ww3 n THR 427 Cb 0.32 -0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.71 0.08 -3.83 -0.78 0.28 -1.12 -4.87 120.64 108.70 2ww3 n GLU 428 Ca 0.06 -1.77 -0.10 0.00 -0.16 0.00 0.00 57.16 55.19 2ww3 n GLU 428 Cb 0.37 -0.23 -0.08 0.00 1.43 0.00 0.00 31.44 32.93 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 -1.77 0.03 -0.02 -1.84 0.01 -1.10 -5.02 114.94 105.23 2ww3 s ASN 429 Ca 0.24 -0.46 0.03 0.00 -0.71 0.00 0.00 52.86 51.97 2ww3 s ASN 429 Cb 0.27 0.33 -0.00 0.00 0.41 0.00 0.00 41.25 42.26 2ww3 s ASN 429 CO -0.11 -0.65 -0.11 0.54 -1.51 0.00 0.00 177.10 175.26 2ww3 s VAL 430 N -3.14 0.92 0.29 1.60 0.11 -1.26 -0.99 120.40 117.93 2ww3 s VAL 430 Ca -0.01 -0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 2ww3 s VAL 430 Cb 0.02 -0.79 -0.12 0.00 -1.53 0.00 0.00 36.38 33.96 2ww3 s VAL 430 CO -0.07 0.27 1.60 1.57 -3.33 0.00 0.00 175.10 175.14 2ww3 n HIS 431 N 3.01 2.87 0.24 1.54 -0.00 0.74 -4.89 115.22 118.73 2ww3 n HIS 431 Ca -0.16 0.24 0.12 0.00 0.46 0.00 0.00 57.72 58.39 2ww3 n HIS 431 Cb 0.55 -2.60 0.49 0.00 -0.12 0.00 0.00 29.99 28.30 2ww3 n HIS 431 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2ww3 h PRO 432 N 4.84 0.00 0.01 1.57 0.13 -2.00 -3.27 132.00 133.29 2ww3 h PRO 432 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 2ww3 h PRO 432 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2ww3 h PRO 432 CO 0.80 0.14 -2.24 0.39 -0.23 0.00 0.00 178.00 176.85 2ww3 n GLU 433 N -3.26 0.68 -3.99 0.86 -0.58 -1.26 -4.86 120.64 108.22 2ww3 n GLU 433 Ca 0.01 0.12 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 2ww3 n GLU 433 Cb 0.41 -1.59 -0.15 0.00 -0.57 0.00 0.00 31.44 29.54 2ww3 n GLU 433 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ww3 s VAL 434 N -2.53 2.00 -0.53 2.62 1.01 -1.23 -4.98 120.40 116.76 2ww3 s VAL 434 Ca -0.17 -1.87 0.23 0.00 0.00 0.00 0.00 61.98 60.17 2ww3 s VAL 434 Cb 0.07 -2.33 0.24 0.00 0.00 0.00 0.00 36.38 34.36 2ww3 s VAL 434 CO 0.76 -0.36 1.70 -1.54 0.00 0.00 0.00 175.10 175.66 2ww3 n SER 435 N 4.43 0.64 -0.62 3.32 3.41 -1.26 -1.26 113.62 122.28 2ww3 n SER 435 Ca -0.04 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 2ww3 n SER 435 Cb 0.42 -0.79 0.36 0.00 -0.26 0.00 0.00 64.21 63.95 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 -2.19 1.86 -4.49 4.04 3.41 -1.26 -3.94 113.62 111.05 2ww3 n SER 436 Ca 0.02 -1.73 -0.34 0.00 -0.26 0.00 0.00 58.87 56.57 2ww3 n SER 436 Cb 0.24 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.78 3.86 0.00 6.66 2.01 -0.39 -4.58 115.64 121.43 2ww3 s THR 437 Ca 0.33 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2ww3 s THR 437 Cb 0.18 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 70.00 2ww3 s THR 437 CO 0.27 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 2ww3 n GLY 438 N 3.56 -1.40 3.20 4.40 0.00 -1.26 -0.19 105.19 113.50 2ww3 n GLY 438 Ca -0.17 -1.25 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 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 2.56 0.16 1.61 0.52 -0.16 -4.80 118.95 118.84 2ww3 s ARG 439 Ca 0.00 -1.96 -0.34 0.00 -0.52 0.00 0.00 55.73 52.91 2ww3 s ARG 439 Cb 0.00 -3.92 -0.14 0.00 0.52 0.00 0.00 34.95 31.41 2ww3 s ARG 439 CO 0.00 -1.19 1.49 -0.11 0.02 0.00 0.00 175.30 175.51 2ww3 n LEU 440 N 4.57 2.82 -0.05 2.53 7.94 -1.25 -2.00 117.00 131.54 2ww3 n LEU 440 Ca -0.03 1.10 -0.01 0.00 -1.11 0.00 0.00 56.01 55.97 2ww3 n LEU 440 Cb 0.41 -1.38 -0.00 0.00 0.53 0.00 0.00 43.42 42.97 2ww3 n LEU 440 CO 0.40 -0.48 -0.01 0.61 -1.11 0.00 0.00 177.39 176.80 2ww3 n GLY 441 N 2.99 0.45 0.37 -3.96 0.00 -1.26 -4.91 105.19 98.87 2ww3 n GLY 441 Ca 0.16 -0.16 0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 0.13 0.59 1.61 -0.00 -1.74 -0.43 116.97 117.13 2ww3 h TYR 442 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.70 2ww3 h TYR 442 Cb 0.20 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 36.88 2ww3 h TYR 442 CO 0.12 0.06 -0.47 0.93 -0.00 0.00 0.00 178.16 178.79 2ww3 h GLU 443 N 0.12 -0.99 -0.77 0.10 3.07 -1.91 0.23 114.58 114.43 2ww3 h GLU 443 Ca 0.25 0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.16 2ww3 h GLU 443 Cb 0.84 0.22 -0.04 0.00 -0.84 0.00 0.00 28.75 28.94 2ww3 h GLU 443 CO -0.03 -0.66 0.39 1.88 -1.40 0.00 0.00 179.01 179.20 2ww3 h TYR 444 N -1.03 1.09 -0.18 4.33 0.05 -1.69 -2.77 116.97 116.77 2ww3 h TYR 444 Ca -0.08 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2ww3 h TYR 444 Cb 0.86 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 2ww3 h TYR 444 CO -0.18 0.78 0.09 -0.92 -1.05 0.00 0.00 178.16 176.88 2ww3 h TYR 445 N 1.08 0.26 -0.46 4.88 3.20 -0.78 0.17 116.97 125.32 2ww3 h TYR 445 Ca 0.27 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 2ww3 h TYR 445 Cb 0.08 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2ww3 h TYR 445 CO 0.01 0.28 0.17 -0.91 -1.64 0.00 0.00 178.16 176.06 2ww3 h ASN 446 N 0.16 0.60 0.00 -2.11 -0.26 -0.54 0.98 115.58 114.42 2ww3 h ASN 446 Ca 0.06 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2ww3 h ASN 446 Cb 0.12 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 2ww3 h ASN 446 CO -0.01 0.56 -0.07 0.50 -1.06 0.00 0.00 177.43 177.34 2ww3 h LYS 447 N 0.65 0.00 0.00 0.81 3.64 -1.23 -3.40 116.57 117.03 2ww3 h LYS 447 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2ww3 h LYS 447 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2ww3 h LYS 447 CO -0.01 0.74 -1.48 1.28 -2.27 0.00 0.00 179.45 177.70 2ww3 n LEU 448 N -4.64 0.44 0.00 5.20 4.77 0.57 -4.97 117.00 118.37 2ww3 n LEU 448 Ca -0.09 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2ww3 n LEU 448 Cb 0.37 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2ww3 n LEU 448 CO 0.24 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2ww3 n GLY 449 N 1.35 0.70 3.52 -0.72 0.00 0.34 -5.03 105.19 105.35 2ww3 n GLY 449 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.03 -0.44 -0.23 1.61 1.13 -1.24 -4.74 117.35 111.41 2ww3 s TYR 450 Ca 0.00 0.57 -0.26 0.00 -1.41 0.00 0.00 57.07 55.97 2ww3 s TYR 450 Cb 0.00 0.48 -0.00 0.00 -1.10 0.00 0.00 41.96 41.34 2ww3 s TYR 450 CO 0.00 -0.52 0.90 0.08 -2.51 0.00 0.00 175.55 173.50 2ww3 s VAL 451 N -2.05 4.79 0.96 -3.49 1.01 -1.26 -3.58 120.40 116.77 2ww3 s VAL 451 Ca -0.01 1.73 -0.12 0.00 0.00 0.00 0.00 61.98 63.58 2ww3 s VAL 451 Cb -0.01 -4.18 0.17 0.00 0.00 0.00 0.00 36.38 32.36 2ww3 s VAL 451 CO -0.02 -0.10 1.09 -2.84 0.00 0.00 0.00 175.10 173.23 2ww3 s PRO 452 N 2.90 0.72 0.33 2.72 0.02 -1.26 -4.46 135.00 135.97 2ww3 s PRO 452 Ca 0.38 0.94 0.20 0.00 0.02 0.00 0.00 61.00 62.55 2ww3 s PRO 452 Cb -0.15 -1.74 0.18 0.00 0.02 0.00 0.00 34.50 32.81 2ww3 s PRO 452 CO 0.07 -2.65 1.41 -0.92 -0.33 0.00 0.00 177.00 174.59 2ww3 h TYR 453 N -1.85 0.00 -0.80 6.54 5.03 -0.32 -3.39 116.97 122.17 2ww3 h TYR 453 Ca -0.51 0.00 -0.47 0.00 2.58 0.00 0.00 58.73 60.33 2ww3 h TYR 453 Cb 1.29 0.00 -0.42 0.00 1.55 0.00 0.00 36.73 39.15 2ww3 h TYR 453 CO 0.40 0.17 -0.90 -0.40 -1.32 0.00 0.00 178.16 176.10 2ww3 n ASP 454 N -3.04 3.86 -1.36 -2.11 5.75 -1.26 -4.68 116.55 113.70 2ww3 n ASP 454 Ca 0.02 -3.26 -0.00 0.00 -0.01 0.00 0.00 54.79 51.54 2ww3 n ASP 454 Cb 0.61 -0.40 0.10 0.00 -1.03 0.00 0.00 41.12 40.40 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 -0.61 1.47 -1.67 2.12 0.24 -1.26 -4.89 118.33 113.73 2ww3 n VAL 455 Ca 0.32 -2.67 -0.18 0.00 -2.04 0.00 0.00 64.34 59.77 2ww3 n VAL 455 Cb 0.87 0.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 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 -0.49 -1.31 -3.70 7.34 5.02 -1.26 -4.95 118.16 118.81 2ww3 n LYS 456 Ca 0.17 1.10 -0.38 0.00 -2.02 0.00 0.00 58.31 57.19 2ww3 n LYS 456 Cb 0.89 -5.42 -0.10 0.00 -0.02 0.00 0.00 35.03 30.38 2ww3 n LYS 456 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ww3 s ILE 457 N -2.72 3.68 0.76 -0.18 1.01 -1.26 -5.09 121.20 117.39 2ww3 s ILE 457 Ca 0.00 -2.25 -0.14 0.00 0.00 0.00 0.00 60.65 58.26 2ww3 s ILE 457 Cb 0.00 -3.46 0.05 0.00 0.01 0.00 0.00 42.46 39.07 2ww3 s ILE 457 CO 0.00 -0.77 1.17 0.20 0.00 0.00 0.00 174.94 175.54 2ww3 s ASN 458 N 1.73 4.14 -1.39 3.58 0.01 -1.26 -3.37 114.94 118.37 2ww3 s ASN 458 Ca 0.10 2.22 -0.09 0.00 -0.71 0.00 0.00 52.86 54.38 2ww3 s ASN 458 Cb -0.22 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 38.89 2ww3 s ASN 458 CO -0.03 -2.29 1.10 -0.62 -1.51 0.00 0.00 177.10 173.75 2ww3 n GLU 459 N -3.01 -7.12 -0.09 -0.60 1.02 0.28 -4.92 120.64 106.20 2ww3 n GLU 459 Ca 0.12 0.76 -0.12 0.00 -0.02 0.00 0.00 57.16 57.90 2ww3 n GLU 459 Cb 0.51 -5.75 -0.05 0.00 -0.02 0.00 0.00 31.44 26.13 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 -2.45 0.55 -0.45 1.62 -1.07 -1.50 -2.08 115.58 110.19 2ww3 h ASN 460 Ca -0.58 -0.41 -0.02 0.00 0.07 0.00 0.00 56.30 55.37 2ww3 h ASN 460 Cb 1.37 -0.15 -0.02 0.00 -2.07 0.00 0.00 38.32 37.45 2ww3 h ASN 460 CO 0.59 0.83 0.21 0.00 0.07 0.00 0.00 177.43 179.13 2ww3 h ALA 461 N 0.73 0.58 -0.73 4.14 0.00 -1.39 -0.85 119.26 121.74 2ww3 h ALA 461 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ww3 h ALA 461 Cb 0.63 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2ww3 h ALA 461 CO 0.04 0.14 0.45 0.00 0.00 0.00 0.00 179.25 179.87 2ww3 h ALA 462 N 1.06 0.92 -0.77 0.00 0.00 -1.45 -0.35 119.26 118.67 2ww3 h ALA 462 Ca 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2ww3 h ALA 462 Cb 0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2ww3 h ALA 462 CO -0.02 0.38 0.30 0.00 0.00 0.00 0.00 179.25 179.92 2ww3 h ARG 463 N 0.99 1.14 -0.30 0.00 3.08 -1.18 -2.07 114.38 116.04 2ww3 h ARG 463 Ca 0.26 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2ww3 h ARG 463 Cb -0.05 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2ww3 h ARG 463 CO -0.05 0.93 0.04 1.15 -1.07 0.00 0.00 179.97 180.96 2ww3 h THR 464 N 1.12 1.24 -0.51 2.04 2.02 -0.45 0.18 112.91 118.54 2ww3 h THR 464 Ca 0.26 -0.84 -0.12 0.00 0.77 0.00 0.00 66.41 66.48 2ww3 h THR 464 Cb 0.21 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2ww3 h THR 464 CO -0.02 0.27 -0.15 -0.07 0.37 0.00 0.00 175.52 175.93 2ww3 h LEU 465 N 0.33 0.99 -0.11 2.58 3.38 -1.01 -1.39 115.31 120.09 2ww3 h LEU 465 Ca 0.09 -0.34 -0.24 0.00 0.09 0.00 0.00 57.88 57.48 2ww3 h LEU 465 Cb 0.36 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2ww3 h LEU 465 CO 0.01 1.12 -0.88 -0.33 0.09 0.00 0.00 178.44 178.45 2ww3 h GLU 466 N 0.87 0.76 -0.66 1.13 5.08 -1.26 -2.88 114.58 117.62 2ww3 h GLU 466 Ca 0.13 -0.69 0.12 0.00 -1.00 0.00 0.00 59.36 57.92 2ww3 h GLU 466 Cb 0.71 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.03 2ww3 h GLU 466 CO 0.05 1.28 0.20 1.88 -1.00 0.00 0.00 179.01 181.43 2ww3 h TYR 467 N 0.49 0.34 -0.40 4.33 0.05 -0.44 0.20 116.97 121.53 2ww3 h TYR 467 Ca -0.08 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2ww3 h TYR 467 Cb 1.52 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 39.19 2ww3 h TYR 467 CO 0.09 0.02 0.26 0.00 -1.05 0.00 0.00 178.16 177.48 2ww3 h ALA 468 N 1.50 0.51 -0.66 3.88 0.00 -1.14 0.49 119.26 123.84 2ww3 h ALA 468 Ca 0.35 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2ww3 h ALA 468 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2ww3 h ALA 468 CO -0.40 -0.02 0.20 -0.92 0.00 0.00 0.00 179.25 178.12 2ww3 h TYR 469 N 0.54 1.08 -0.29 0.00 3.20 -1.19 -0.49 116.97 119.82 2ww3 h TYR 469 Ca 0.15 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2ww3 h TYR 469 Cb -0.04 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.91 2ww3 h TYR 469 CO -0.04 0.87 0.06 -0.44 -1.64 0.00 0.00 178.16 176.98 2ww3 h ASP 470 N 0.97 0.37 0.19 -2.11 3.32 0.33 -1.24 116.42 118.25 2ww3 h ASP 470 Ca 0.21 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 2ww3 h ASP 470 Cb 0.31 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2ww3 h ASP 470 CO -0.01 0.39 -0.70 0.44 -1.72 0.00 0.00 179.24 177.64 2ww3 h ASP 471 N 0.41 0.53 -0.96 6.45 3.32 0.62 -1.90 116.42 124.89 2ww3 h ASP 471 Ca 0.10 -0.34 0.07 0.00 0.02 0.00 0.00 57.03 56.89 2ww3 h ASP 471 Cb 0.17 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 2ww3 h ASP 471 CO -0.00 1.07 0.61 -0.25 -1.72 0.00 0.00 179.24 178.95 2ww3 h TRP 472 N 0.32 1.13 0.19 4.55 7.01 -0.51 0.80 115.95 129.44 2ww3 h TRP 472 Ca -0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2ww3 h TRP 472 Cb 1.27 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.97 2ww3 h TRP 472 CO 0.05 0.55 -0.09 0.00 -2.79 0.00 0.00 178.44 176.16 2ww3 h ILE 474 N -0.39 0.65 -0.57 0.00 2.04 -1.14 -2.41 117.51 115.69 2ww3 h ILE 474 Ca -0.03 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.89 2ww3 h ILE 474 Cb 0.30 0.47 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 2ww3 h ILE 474 CO 0.04 0.03 -0.24 0.22 0.00 0.00 0.00 178.15 178.20 2ww3 h TYR 475 N 0.17 -0.61 -0.32 1.37 5.03 -0.52 0.89 116.97 122.98 2ww3 h TYR 475 Ca 0.26 0.06 0.06 0.00 2.58 0.00 0.00 58.73 61.69 2ww3 h TYR 475 Cb 0.37 0.36 -0.06 0.00 1.55 0.00 0.00 36.73 38.95 2ww3 h TYR 475 CO -0.27 -0.33 -0.08 0.00 -1.32 0.00 0.00 178.16 176.16 2ww3 h ARG 476 N -0.10 -0.00 -0.62 1.82 2.47 -0.82 0.03 114.38 117.15 2ww3 h ARG 476 Ca 0.26 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.91 2ww3 h ARG 476 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 2ww3 h ARG 476 CO -0.64 -0.00 0.11 1.25 0.56 0.00 0.00 179.97 181.25 2ww3 h LEU 477 N -0.00 0.98 -0.55 3.04 5.85 -0.99 -0.28 115.31 123.36 2ww3 h LEU 477 Ca 0.15 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2ww3 h LEU 477 Cb 0.24 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2ww3 h LEU 477 CO -0.33 0.98 0.35 0.00 -0.34 0.00 0.00 178.44 179.10 2ww3 h ALA 478 N 1.03 0.70 -0.12 1.25 0.00 -0.35 0.15 119.26 121.92 2ww3 h ALA 478 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ww3 h ALA 478 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ww3 h ALA 478 CO 0.01 0.16 0.07 -0.22 0.00 0.00 0.00 179.25 179.27 2ww3 h LYS 479 N 0.74 0.16 -0.92 0.00 3.64 -0.83 -0.91 116.57 118.46 2ww3 h LYS 479 Ca 0.20 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2ww3 h LYS 479 Cb -0.06 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.68 2ww3 h LYS 479 CO -0.04 0.16 0.60 1.49 -2.27 0.00 0.00 179.45 179.39 2ww3 h GLU 480 N 0.13 1.15 -0.16 1.90 4.57 -0.55 -1.93 114.58 119.68 2ww3 h GLU 480 Ca 0.04 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2ww3 h GLU 480 Cb 0.03 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.37 2ww3 h GLU 480 CO -0.01 0.76 0.00 1.28 -1.18 0.00 0.00 179.01 179.86 2ww3 n LEU 481 N -4.43 1.10 -2.92 1.64 4.32 0.47 -4.91 117.00 112.28 2ww3 n LEU 481 Ca 0.12 -0.51 -0.22 0.00 -0.02 0.00 0.00 56.01 55.38 2ww3 n LEU 481 Cb 0.07 -0.11 0.03 0.00 -1.62 0.00 0.00 43.42 41.80 2ww3 n LEU 481 CO 0.35 0.25 -0.02 0.29 -1.22 0.00 0.00 177.39 177.04 2ww3 n LYS 482 N 0.02 -4.58 -0.89 3.23 4.01 -0.73 -4.97 118.16 114.26 2ww3 n LYS 482 Ca 0.11 0.91 -0.29 0.00 -0.51 0.00 0.00 58.31 58.53 2ww3 n LYS 482 Cb 0.21 -5.73 0.19 0.00 -0.51 0.00 0.00 35.03 29.18 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 -5.63 0.28 0.38 1.97 1.81 -0.39 -4.95 118.95 112.42 2ww3 s ARG 483 Ca 0.27 0.88 -0.28 0.00 -1.72 0.00 0.00 55.73 54.89 2ww3 s ARG 483 Cb -0.12 -1.69 -0.11 0.00 -0.45 0.00 0.00 34.95 32.58 2ww3 s ARG 483 CO 0.34 -2.93 1.48 -2.14 -0.68 0.00 0.00 175.30 171.37 2ww3 s PRO 484 N -4.73 4.09 0.39 3.54 0.02 -1.26 -4.79 135.00 132.26 2ww3 s PRO 484 Ca 0.66 2.56 0.16 0.00 0.02 0.00 0.00 61.00 64.41 2ww3 s PRO 484 Cb -0.21 -2.95 1.04 0.00 0.02 0.00 0.00 34.50 32.40 2ww3 s PRO 484 CO 0.60 -0.55 1.78 1.57 -0.33 0.00 0.00 177.00 180.08 2ww3 h LYS 485 N 2.96 0.44 -0.75 5.54 -0.00 -1.99 -0.06 116.57 122.70 2ww3 h LYS 485 Ca -0.51 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.11 2ww3 h LYS 485 Cb 1.24 -0.10 -0.04 0.00 -0.00 0.00 0.00 32.23 33.34 2ww3 h LYS 485 CO 0.64 0.29 0.45 1.57 -0.00 0.00 0.00 179.45 182.40 2ww3 h LYS 486 N 0.45 1.03 -0.04 0.07 5.09 -1.99 -0.29 116.57 120.89 2ww3 h LYS 486 Ca 0.57 -0.10 -0.00 0.00 0.09 0.00 0.00 60.65 61.21 2ww3 h LYS 486 Cb 1.36 -0.21 -0.00 0.00 0.10 0.00 0.00 32.23 33.47 2ww3 h LYS 486 CO -0.29 0.73 0.01 0.93 -2.09 0.00 0.00 179.45 178.73 2ww3 h GLU 487 N 1.03 0.06 -0.82 0.07 5.08 -1.38 -1.86 114.58 116.76 2ww3 h GLU 487 Ca 0.27 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 2ww3 h GLU 487 Cb -0.03 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.15 2ww3 h GLU 487 CO -0.05 0.29 0.50 0.82 -1.00 0.00 0.00 179.01 179.57 2ww3 h ILE 488 N -0.17 1.00 -0.51 3.13 2.04 -1.22 -1.80 117.51 119.97 2ww3 h ILE 488 Ca 0.01 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 2ww3 h ILE 488 Cb 0.26 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2ww3 h ILE 488 CO 0.00 0.16 0.03 0.28 0.00 0.00 0.00 178.15 178.62 2ww3 h SER 489 N 0.89 0.79 -0.20 1.72 0.02 -0.96 -0.82 113.55 114.98 2ww3 h SER 489 Ca 0.37 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2ww3 h SER 489 Cb 0.23 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2ww3 h SER 489 CO -0.19 0.84 0.08 0.25 -1.14 0.00 0.00 176.83 176.66 2ww3 h LEU 490 N 0.78 0.29 -0.59 5.07 5.85 -0.48 -0.93 115.31 125.30 2ww3 h LEU 490 Ca 0.15 -0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 2ww3 h LEU 490 Cb 0.43 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2ww3 h LEU 490 CO 0.02 0.39 -0.70 -0.26 -0.34 0.00 0.00 178.44 177.54 2ww3 h PHE 491 N 0.17 0.03 -0.47 1.25 0.04 -1.34 -1.10 116.94 115.53 2ww3 h PHE 491 Ca 0.07 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.87 2ww3 h PHE 491 Cb 0.20 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.29 2ww3 h PHE 491 CO -0.01 0.72 0.20 0.00 -0.60 0.00 0.00 178.31 178.62 2ww3 h ALA 492 N 1.28 0.58 0.26 2.45 0.00 -1.01 0.14 119.26 122.96 2ww3 h ALA 492 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ww3 h ALA 492 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ww3 h ALA 492 CO 0.09 -0.17 -0.13 -0.22 0.00 0.00 0.00 179.25 178.83 2ww3 h LYS 493 N 0.40 -0.34 -0.15 0.00 3.64 -0.86 -3.01 116.57 116.25 2ww3 h LYS 493 Ca 0.21 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 2ww3 h LYS 493 Cb 0.17 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2ww3 h LYS 493 CO -0.18 -0.22 -0.06 0.00 -2.27 0.00 0.00 179.45 176.72 2ww3 h ARG 494 N -0.36 0.23 -0.55 1.90 3.08 -1.00 -0.79 114.38 116.89 2ww3 h ARG 494 Ca -0.04 -0.04 0.16 0.00 0.07 0.00 0.00 59.98 60.13 2ww3 h ARG 494 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2ww3 h ARG 494 CO 0.06 0.31 0.44 0.00 -1.07 0.00 0.00 179.97 179.70 2ww3 h ALA 495 N 1.72 2.44 -0.01 0.04 0.00 -0.58 -0.32 119.26 122.54 2ww3 h ALA 495 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ww3 h ALA 495 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ww3 h ALA 495 CO 0.01 -0.72 -0.05 -1.33 0.00 0.00 0.00 179.25 177.16 2ww3 n MET 496 N -4.16 1.24 0.21 0.00 2.81 -0.30 -4.36 117.12 112.56 2ww3 n MET 496 Ca 0.10 -0.57 0.16 0.00 -1.81 0.00 0.00 57.70 55.58 2ww3 n MET 496 Cb 0.66 -1.49 0.82 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 1.39 0.00 -1.18 7.83 2.35 -1.11 -2.58 115.58 122.27 2ww3 h ASN 497 Ca 0.00 0.00 0.34 0.00 -0.55 0.00 0.00 56.30 56.09 2ww3 h ASN 497 Cb 0.37 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.66 2ww3 h ASN 497 CO 0.00 0.00 0.80 0.10 -1.65 0.00 0.00 177.43 176.68 2ww3 h TYR 498 N 0.00 0.34 0.00 1.19 -0.00 -1.81 0.26 116.97 116.95 2ww3 h TYR 498 Ca 0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.81 2ww3 h TYR 498 Cb 0.38 -0.10 -0.00 0.00 -0.00 0.00 0.00 36.73 37.01 2ww3 h TYR 498 CO 0.00 -0.01 -0.03 0.87 -0.00 0.00 0.00 178.16 178.99 2ww3 h LYS 499 N 0.17 0.00 0.00 0.10 1.57 -1.82 -2.53 116.57 114.06 2ww3 h LYS 499 Ca 0.63 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 2ww3 h LYS 499 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.38 2ww3 h LYS 499 CO -0.18 0.03 0.00 0.09 -0.57 0.00 0.00 179.45 178.82 2ww3 n ASN 500 N -3.68 0.20 -0.22 0.86 3.02 0.92 -2.15 115.26 114.21 2ww3 n ASN 500 Ca -0.03 0.56 0.02 0.00 -0.03 0.00 0.00 54.58 55.11 2ww3 n ASN 500 Cb 0.12 -0.60 0.04 0.00 -0.61 0.00 0.00 39.78 38.73 2ww3 n ASN 500 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ww3 n LEU 501 N -1.73 1.90 -4.71 3.41 4.77 -0.95 -4.95 117.00 114.73 2ww3 n LEU 501 Ca 0.02 -1.53 -0.39 0.00 -0.03 0.00 0.00 56.01 54.07 2ww3 n LEU 501 Cb 0.13 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2ww3 n LEU 501 CO 0.11 0.45 0.36 0.12 -1.33 0.00 0.00 177.39 177.10 2ww3 s PHE 502 N -0.70 3.55 -0.33 -1.77 5.36 -0.91 -0.27 117.98 122.91 2ww3 s PHE 502 Ca 0.07 1.17 -0.05 0.00 -0.96 0.00 0.00 56.93 57.16 2ww3 s PHE 502 Cb 0.04 -2.76 0.04 0.00 -0.34 0.00 0.00 43.02 40.00 2ww3 s PHE 502 CO 0.06 0.08 0.08 0.34 -1.46 0.00 0.00 175.22 174.31 2ww3 s ASP 503 N 0.80 5.19 0.44 6.13 2.15 -0.52 -4.96 116.67 125.89 2ww3 s ASP 503 Ca 0.35 -1.14 0.14 0.00 0.43 0.00 0.00 52.55 52.33 2ww3 s ASP 503 Cb -0.17 -1.83 1.04 0.00 -0.30 0.00 0.00 42.92 41.66 2ww3 s ASP 503 CO 0.16 -0.30 1.98 0.11 -0.17 0.00 0.00 175.17 176.95 2ww3 h LYS 504 N 8.17 0.38 0.09 4.34 1.57 -1.93 0.13 116.57 129.31 2ww3 h LYS 504 Ca -0.23 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2ww3 h LYS 504 Cb 1.08 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2ww3 h LYS 504 CO 0.59 0.25 -0.04 1.49 -0.57 0.00 0.00 179.45 181.17 2ww3 h GLU 505 N 0.39 -0.11 0.00 3.15 4.81 -1.94 -3.18 114.58 117.71 2ww3 h GLU 505 Ca 0.27 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2ww3 h GLU 505 Cb 0.56 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2ww3 h GLU 505 CO -0.07 0.06 -1.06 -1.13 -0.73 0.00 0.00 179.01 176.07 2ww3 n SER 506 N -5.07 0.80 -0.51 1.04 3.41 -1.08 -4.94 113.62 107.27 2ww3 n SER 506 Ca -0.08 0.30 -0.06 0.00 -0.26 0.00 0.00 58.87 58.77 2ww3 n SER 506 Cb 0.13 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 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 -2.64 -0.45 -4.33 4.33 5.02 0.43 -5.03 118.16 115.49 2ww3 n LYS 507 Ca -0.00 0.70 -0.17 0.00 -2.02 0.00 0.00 58.31 56.82 2ww3 n LYS 507 Cb 0.55 -4.48 -0.10 0.00 -0.02 0.00 0.00 35.03 30.98 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 -1.50 1.85 0.33 -0.35 1.43 -1.20 -4.94 118.68 114.30 2ww3 s LEU 508 Ca 0.00 -1.34 -0.27 0.00 -1.03 0.00 0.00 54.13 51.49 2ww3 s LEU 508 Cb 0.00 -0.09 -0.09 0.00 0.03 0.00 0.00 46.19 46.04 2ww3 s LEU 508 CO 0.00 -0.66 1.07 -0.04 0.23 0.00 0.00 176.35 176.95 2ww3 s MET 509 N -3.97 4.46 -0.14 1.70 -1.94 -1.26 -1.44 119.30 116.72 2ww3 s MET 509 Ca 0.35 1.67 -0.10 0.00 -1.71 0.00 0.00 55.69 55.89 2ww3 s MET 509 Cb 0.07 -2.94 0.04 0.00 2.01 0.00 0.00 34.83 34.02 2ww3 s MET 509 CO 0.12 0.09 0.35 0.50 -0.01 0.00 0.00 175.02 176.07 2ww3 s ARG 510 N -1.85 0.37 0.45 2.03 3.52 0.63 -4.81 118.95 119.29 2ww3 s ARG 510 Ca 0.50 0.56 -0.24 0.00 -0.13 0.00 0.00 55.73 56.41 2ww3 s ARG 510 Cb -0.28 0.10 -0.09 0.00 -1.56 0.00 0.00 34.95 33.12 2ww3 s ARG 510 CO 0.35 -0.09 1.19 0.41 -0.81 0.00 0.00 175.30 176.35 2ww3 n GLY 511 N 3.40 0.31 3.05 8.12 0.00 -1.26 -4.76 105.19 114.05 2ww3 n GLY 511 Ca -0.17 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2ww3 n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ww3 s ARG 512 N -2.28 2.01 0.98 1.61 3.52 -1.26 -1.29 118.95 122.23 2ww3 s ARG 512 Ca 0.64 -0.50 -0.11 0.00 -0.13 0.00 0.00 55.73 55.62 2ww3 s ARG 512 Cb -0.50 -1.67 0.18 0.00 -1.56 0.00 0.00 34.95 31.39 2ww3 s ARG 512 CO 0.56 -0.00 1.09 -0.80 -0.81 0.00 0.00 175.30 175.34 2ww3 s ASN 513 N 0.79 2.58 0.43 -2.12 0.01 0.43 0.41 114.94 117.48 2ww3 s ASN 513 Ca -0.11 1.77 0.15 0.00 -0.71 0.00 0.00 52.86 53.96 2ww3 s ASN 513 Cb -0.16 -2.38 0.97 0.00 0.41 0.00 0.00 41.25 40.10 2ww3 s ASN 513 CO 0.02 -3.24 1.95 -0.08 -1.51 0.00 0.00 177.10 174.24 2ww3 h GLU 514 N -1.97 0.00 -0.39 -0.60 4.81 -1.90 -2.36 114.58 112.18 2ww3 h GLU 514 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2ww3 h GLU 514 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2ww3 h GLU 514 CO 0.48 0.23 0.00 -0.40 -0.73 0.00 0.00 179.01 178.60 2ww3 n ASP 515 N -4.17 1.71 0.00 1.04 5.75 -1.26 -4.90 116.55 114.72 2ww3 n ASP 515 Ca -0.02 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 2ww3 n ASP 515 Cb 0.29 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 2ww3 n ASP 515 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ww3 n GLY 516 N 0.78 2.94 3.76 6.12 0.00 -0.89 -5.04 105.19 112.86 2ww3 n GLY 516 Ca 0.09 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.55 3.07 0.43 2.61 -4.23 -1.26 -4.73 115.64 108.99 2ww3 s THR 517 Ca 0.00 1.07 -0.25 0.00 -1.18 0.00 0.00 61.69 61.33 2ww3 s THR 517 Cb 0.00 -3.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.08 2ww3 s THR 517 CO 0.00 0.25 1.26 -0.36 -0.54 0.00 0.00 174.62 175.23 2ww3 s PHE 518 N -1.07 2.81 0.45 3.99 0.08 -1.26 -0.43 117.98 122.55 2ww3 s PHE 518 Ca 0.47 1.46 -0.23 0.00 0.12 0.00 0.00 56.93 58.75 2ww3 s PHE 518 Cb -0.36 -3.58 -0.08 0.00 -0.57 0.00 0.00 43.02 38.43 2ww3 s PHE 518 CO 0.47 -1.93 1.12 1.14 -0.10 0.00 0.00 175.22 175.92 2ww3 s GLN 519 N -2.42 3.85 0.03 0.44 1.03 -0.41 -4.77 119.66 117.40 2ww3 s GLN 519 Ca 0.60 1.66 -0.07 0.00 0.04 0.00 0.00 55.36 57.58 2ww3 s GLN 519 Cb -0.35 -2.39 -0.00 0.00 0.03 0.00 0.00 33.01 30.30 2ww3 s GLN 519 CO 0.44 -0.45 0.14 -1.12 -2.54 0.00 0.00 175.29 171.76 2ww3 s SER 520 N -1.50 0.08 0.57 12.60 0.01 -1.26 -4.08 113.70 120.13 2ww3 s SER 520 Ca 0.63 -0.37 -0.16 0.00 1.31 0.00 0.00 55.95 57.36 2ww3 s SER 520 Cb -0.25 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 2ww3 s SER 520 CO 0.31 -0.47 1.03 -2.16 0.41 0.00 0.00 173.24 172.36 2ww3 s PRO 521 N -2.17 3.52 -0.16 12.44 0.04 -1.26 -5.15 135.00 142.27 2ww3 s PRO 521 Ca -0.08 1.10 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 2ww3 s PRO 521 Cb -0.03 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2ww3 s PRO 521 CO -0.02 -0.63 -0.00 0.12 0.04 0.00 0.00 177.00 176.50 2ww3 s PHE 522 N -2.54 3.11 -0.12 0.56 5.36 -1.26 -5.09 117.98 118.00 2ww3 s PHE 522 Ca 0.62 -0.14 0.02 0.00 -0.96 0.00 0.00 56.93 56.46 2ww3 s PHE 522 Cb -0.14 -1.99 0.02 0.00 -0.34 0.00 0.00 43.02 40.57 2ww3 s PHE 522 CO 0.36 0.06 -0.16 0.45 -1.46 0.00 0.00 175.22 174.47 2ww3 s SER 523 N 0.29 2.53 0.45 6.13 0.15 -1.26 -4.99 113.70 117.00 2ww3 s SER 523 Ca -0.01 -0.45 0.30 0.00 0.70 0.00 0.00 55.95 56.50 2ww3 s SER 523 Cb -0.13 -1.13 1.60 0.00 -1.71 0.00 0.00 66.02 64.64 2ww3 s SER 523 CO 0.02 0.01 1.93 1.55 1.20 0.00 0.00 173.24 177.95 2ww3 h PRO 524 N 7.48 0.00 -0.27 5.44 0.13 -1.98 -2.39 132.00 140.40 2ww3 h PRO 524 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2ww3 h PRO 524 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2ww3 h PRO 524 CO 0.50 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.55 2ww3 n LEU 525 N -2.59 3.13 -4.66 1.56 4.77 -1.26 -2.55 117.00 115.40 2ww3 n LEU 525 Ca -0.02 -1.27 -0.43 0.00 -0.03 0.00 0.00 56.01 54.27 2ww3 n LEU 525 Cb 0.08 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2ww3 n LEU 525 CO 0.15 0.63 0.83 -0.75 -1.33 0.00 0.00 177.39 176.93 2ww3 s LYS 526 N -1.66 4.27 0.49 3.23 2.20 -0.90 -2.06 119.74 125.31 2ww3 s LYS 526 Ca 0.36 1.27 -0.11 0.00 -0.36 0.00 0.00 55.97 57.13 2ww3 s LYS 526 Cb 0.22 -3.62 -0.06 0.00 -1.51 0.00 0.00 37.83 32.86 2ww3 s LYS 526 CO 0.31 -0.55 0.87 -1.58 -0.36 0.00 0.00 175.35 174.04 2ww3 s TRP 527 N 2.90 3.52 0.00 4.03 0.52 -0.87 -4.34 118.94 124.70 2ww3 s TRP 527 Ca 0.43 1.13 0.00 0.00 0.02 0.00 0.00 56.10 57.67 2ww3 s TRP 527 Cb -0.16 -2.54 0.00 0.00 -1.15 0.00 0.00 33.47 29.63 2ww3 s TRP 527 CO 0.08 -0.32 0.00 0.41 0.02 0.00 0.00 176.95 177.14 2ww3 n GLY 528 N -1.89 1.41 6.39 0.98 0.00 -0.60 -4.58 105.19 106.90 2ww3 n GLY 528 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.25 0.00 0.21 1.61 2.03 -1.26 -0.50 116.55 117.40 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 0.34 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.92 0.94 -1.52 -1.67 0.00 -1.92 0.81 119.26 114.97 2ww3 h ALA 530 Ca 0.00 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 54.09 2ww3 h ALA 530 Cb 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 2ww3 h ALA 530 CO 0.00 0.29 -0.55 -0.06 0.00 0.00 0.00 179.25 178.93 2ww3 s PHE 531 N -3.43 2.49 -0.15 0.00 0.08 0.35 -1.24 117.98 116.08 2ww3 s PHE 531 Ca 0.02 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.42 2ww3 s PHE 531 Cb 0.09 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 2ww3 s PHE 531 CO 0.66 0.31 -0.17 0.99 -0.10 0.00 0.00 175.22 176.91 2ww3 s THR 532 N -2.68 2.53 -2.14 0.64 2.01 -1.26 -3.84 115.64 110.90 2ww3 s THR 532 Ca 0.35 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2ww3 s THR 532 Cb 0.07 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.53 2ww3 s THR 532 CO 0.19 0.52 0.00 -0.62 -0.69 0.00 0.00 174.62 174.02 2ww3 n GLU 533 N 4.03 -1.47 -3.21 4.92 -0.58 -1.26 -4.79 120.64 118.28 2ww3 n GLU 533 Ca -0.19 1.19 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 2ww3 n GLU 533 Cb 0.52 -5.60 0.00 0.00 -0.57 0.00 0.00 31.44 25.79 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 -0.43 -1.26 0.00 0.62 0.00 -1.26 -4.93 105.19 97.93 2ww3 n GLY 534 Ca -0.21 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.62 1.63 -0.05 1.61 0.23 -1.26 -1.56 115.26 116.48 2ww3 n ASN 535 Ca 0.00 -0.98 -0.05 0.00 -0.53 0.00 0.00 54.58 53.01 2ww3 n ASN 535 Cb 0.00 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 37.85 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 0.00 0.66 -0.31 0.53 0.87 -1.69 -1.39 113.55 112.22 2ww3 h SER 536 Ca 0.00 -0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.44 2ww3 h SER 536 Cb 0.00 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2ww3 h SER 536 CO 0.00 0.85 0.25 -0.50 -0.53 0.00 0.00 176.83 176.90 2ww3 h TRP 537 N 0.59 0.00 0.17 2.24 4.06 -1.92 -1.14 115.95 119.94 2ww3 h TRP 537 Ca 0.09 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.72 2ww3 h TRP 537 Cb 0.64 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.81 2ww3 h TRP 537 CO 0.03 0.00 -1.59 0.45 -3.56 0.00 0.00 178.44 173.77 2ww3 h HIS 538 N 0.00 0.67 0.00 0.49 3.86 -1.62 -3.41 115.15 115.14 2ww3 h HIS 538 Ca 0.15 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2ww3 h HIS 538 Cb 0.64 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.09 2ww3 h HIS 538 CO 0.00 1.62 -0.59 1.88 0.86 0.00 0.00 177.93 181.70 2ww3 h TYR 539 N -0.02 0.00 0.00 2.45 -1.99 -0.97 -3.37 116.97 113.07 2ww3 h TYR 539 Ca -0.32 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.40 2ww3 h TYR 539 Cb 2.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.72 2ww3 h TYR 539 CO 0.12 0.00 -0.05 1.15 -0.00 0.00 0.00 178.16 179.38 2ww3 h THR 540 N 0.00 0.79 -0.00 -2.88 2.02 -1.44 -2.26 112.91 109.14 2ww3 h THR 540 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2ww3 h THR 540 Cb 0.79 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2ww3 h THR 540 CO 0.00 0.04 -0.02 0.79 0.37 0.00 0.00 175.52 176.70 2ww3 n TRP 541 N -4.14 0.00 -1.41 3.16 7.02 -1.26 -4.57 117.44 116.24 2ww3 n TRP 541 Ca -0.03 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.06 2ww3 n TRP 541 Cb 0.13 -0.13 -0.02 0.00 -2.42 0.00 0.00 31.31 28.87 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 -1.01 5.62 -3.04 -0.99 7.64 -0.85 -4.40 113.62 116.58 2ww3 n SER 542 Ca 0.19 -2.67 -0.20 0.00 1.01 0.00 0.00 58.87 57.20 2ww3 n SER 542 Cb 0.20 -1.51 -0.02 0.00 -1.01 0.00 0.00 64.21 61.87 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 4.55 0.87 -0.29 0.44 0.31 -1.26 -4.78 118.33 118.17 2ww3 n VAL 543 Ca 0.61 -4.69 0.26 0.00 -0.01 0.00 0.00 64.34 60.50 2ww3 n VAL 543 Cb 0.31 -0.49 0.59 0.00 -0.91 0.00 0.00 33.84 33.34 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 2.98 0.41 -0.01 3.52 -1.00 -1.89 -1.79 116.94 119.15 2ww3 h PHE 544 Ca 0.10 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2ww3 h PHE 544 Cb 0.87 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.31 2ww3 h PHE 544 CO 0.57 0.05 -0.20 -2.39 -1.61 0.00 0.00 178.31 174.74 2ww3 n HIS 545 N -4.46 0.00 -2.77 -0.55 1.44 -1.26 -4.49 115.22 103.12 2ww3 n HIS 545 Ca 0.24 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.85 2ww3 n HIS 545 Cb 0.95 -0.05 0.08 0.00 0.12 0.00 0.00 29.99 31.09 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 -0.11 -1.72 0.13 4.39 2.03 -0.68 0.13 116.55 120.71 2ww3 n ASP 546 Ca 0.14 -3.31 0.05 0.00 0.52 0.00 0.00 54.79 52.19 2ww3 n ASP 546 Cb 0.40 1.33 0.48 0.00 -0.72 0.00 0.00 41.12 42.61 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 2.78 0.26 -0.79 -0.67 0.11 -1.76 -1.99 132.00 129.93 2ww3 h PRO 547 Ca -0.12 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 2ww3 h PRO 547 Cb 1.13 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2ww3 h PRO 547 CO 0.14 0.25 0.43 0.37 -0.21 0.00 0.00 178.00 178.98 2ww3 h GLN 548 N 0.26 1.10 -0.79 1.05 5.75 -1.91 0.15 115.11 120.72 2ww3 h GLN 548 Ca 0.06 -0.13 0.09 0.00 -0.15 0.00 0.00 58.65 58.53 2ww3 h GLN 548 Cb 0.11 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 28.37 2ww3 h GLN 548 CO -0.00 0.81 0.44 0.78 -2.65 0.00 0.00 178.83 178.21 2ww3 h GLY 549 N 1.09 1.22 1.01 2.39 0.00 -1.79 0.24 103.07 107.24 2ww3 h GLY 549 Ca 0.28 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 2ww3 h GLY 549 CO -0.04 0.11 -0.10 -2.00 0.00 0.00 0.00 176.54 174.50 2ww3 h LEU 550 N 0.74 0.84 -0.92 3.11 5.85 -0.66 -1.31 115.31 122.96 2ww3 h LEU 550 Ca 0.38 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2ww3 h LEU 550 Cb 0.36 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2ww3 h LEU 550 CO -0.25 1.01 0.61 0.40 -0.34 0.00 0.00 178.44 179.86 2ww3 h ILE 551 N 0.67 1.20 -0.15 4.05 2.04 -0.12 0.32 117.51 125.53 2ww3 h ILE 551 Ca 0.11 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 2ww3 h ILE 551 Cb 0.64 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2ww3 h ILE 551 CO 0.04 0.22 -0.23 0.44 0.00 0.00 0.00 178.15 178.63 2ww3 h ASP 552 N 1.22 0.25 0.78 1.72 3.32 -0.23 -0.23 116.42 123.24 2ww3 h ASP 552 Ca 0.35 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.18 2ww3 h ASP 552 Cb -0.09 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2ww3 h ASP 552 CO -0.09 0.49 -0.71 -0.07 -1.72 0.00 0.00 179.24 177.14 2ww3 h LEU 553 N 0.23 0.00 -3.12 1.55 3.38 -0.24 -3.34 115.31 113.77 2ww3 h LEU 553 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2ww3 h LEU 553 Cb 0.53 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2ww3 h LEU 553 CO 0.04 0.71 0.10 0.80 0.09 0.00 0.00 178.44 180.18 2ww3 n MET 554 N -3.63 3.64 -0.24 1.13 1.56 0.01 -4.81 117.12 114.77 2ww3 n MET 554 Ca -0.01 -2.45 0.00 0.00 -0.27 0.00 0.00 57.70 54.98 2ww3 n MET 554 Cb 0.71 -2.07 0.00 0.00 2.15 0.00 0.00 33.22 34.01 2ww3 n MET 554 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2ww3 n GLY 555 N 0.23 0.88 0.00 -5.12 0.00 -1.21 -3.62 105.19 96.35 2ww3 n GLY 555 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.24 0.42 0.32 -0.02 0.00 -0.14 -4.38 105.19 99.14 2ww3 n GLY 556 Ca 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 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 0.90 -0.38 1.61 2.10 -1.92 0.29 116.57 119.17 2ww3 h LYS 557 Ca 0.00 -0.11 -0.12 0.00 -2.00 0.00 0.00 60.65 58.42 2ww3 h LYS 557 Cb 0.00 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.15 2ww3 h LYS 557 CO 0.00 0.69 -0.22 0.93 -2.00 0.00 0.00 179.45 178.85 2ww3 h GLU 558 N 0.89 0.82 -0.29 0.07 3.07 -1.88 -1.25 114.58 116.01 2ww3 h GLU 558 Ca 0.22 -0.37 -0.15 0.00 -0.50 0.00 0.00 59.36 58.56 2ww3 h GLU 558 Cb 0.09 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2ww3 h GLU 558 CO -0.03 1.01 -0.41 1.98 -1.40 0.00 0.00 179.01 180.16 2ww3 h MET 559 N 0.62 0.71 -0.42 2.33 4.05 -1.66 -0.73 114.93 119.84 2ww3 h MET 559 Ca 0.08 -0.37 0.05 0.00 -0.28 0.00 0.00 59.70 59.18 2ww3 h MET 559 Cb 0.78 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.55 2ww3 h MET 559 CO 0.06 0.99 0.17 0.35 0.23 0.00 0.00 176.91 178.70 2ww3 h PHE 560 N 0.58 0.30 -0.38 1.39 3.04 -0.85 -0.75 116.94 120.27 2ww3 h PHE 560 Ca 0.05 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.91 2ww3 h PHE 560 Cb 0.95 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 2ww3 h PHE 560 CO 0.05 0.13 -0.20 0.28 -2.02 0.00 0.00 178.31 176.54 2ww3 h VAL 561 N 0.34 1.27 -0.87 1.41 2.07 -0.96 -1.19 116.25 118.33 2ww3 h VAL 561 Ca 0.19 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2ww3 h VAL 561 Cb 0.15 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2ww3 h VAL 561 CO -0.18 0.43 0.52 0.74 0.02 0.00 0.00 177.57 179.10 2ww3 h THR 562 N 0.64 1.24 -0.45 2.57 2.02 -0.63 -0.56 112.91 117.74 2ww3 h THR 562 Ca 0.09 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 2ww3 h THR 562 Cb 0.69 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2ww3 h THR 562 CO 0.05 0.25 0.12 0.24 0.37 0.00 0.00 175.52 176.55 2ww3 h MET 563 N 1.20 0.72 0.00 6.66 2.07 -0.38 -2.06 114.93 123.14 2ww3 h MET 563 Ca 0.31 -0.17 -0.00 0.00 -2.07 0.00 0.00 59.70 57.77 2ww3 h MET 563 Cb -0.04 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 29.59 2ww3 h MET 563 CO -0.06 0.71 -0.00 0.52 1.07 0.00 0.00 176.91 179.15 2ww3 h MET 564 N 0.60 -0.00 -0.79 1.72 2.86 -1.01 -2.35 114.93 115.96 2ww3 h MET 564 Ca 0.14 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.99 2ww3 h MET 564 Cb 0.31 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 2ww3 h MET 564 CO -0.00 0.25 0.55 -0.44 1.06 0.00 0.00 176.91 178.33 2ww3 h ASP 565 N -0.25 0.12 1.10 1.22 3.32 -1.06 -1.43 116.42 119.43 2ww3 h ASP 565 Ca -0.00 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2ww3 h ASP 565 Cb 0.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2ww3 h ASP 565 CO 0.00 0.05 -0.37 0.77 -1.72 0.00 0.00 179.24 177.97 2ww3 h SER 566 N 0.12 0.00 -0.76 6.45 4.64 -0.81 -2.83 113.55 120.36 2ww3 h SER 566 Ca 0.38 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.74 2ww3 h SER 566 Cb 1.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.39 2ww3 h SER 566 CO -0.05 0.37 0.50 0.58 -0.87 0.00 0.00 176.83 177.36 2ww3 h VAL 567 N 0.00 1.10 0.00 0.95 2.07 -1.14 -0.55 116.25 118.68 2ww3 h VAL 567 Ca -0.00 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2ww3 h VAL 567 Cb 1.02 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2ww3 h VAL 567 CO 0.05 0.17 -0.00 -0.26 0.02 0.00 0.00 177.57 177.54 2ww3 h PHE 568 N 0.90 0.00 0.00 1.57 0.04 -1.59 -1.07 116.94 116.79 2ww3 h PHE 568 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 2ww3 h PHE 568 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2ww3 h PHE 568 CO -0.00 0.00 -1.67 0.00 -0.60 0.00 0.00 178.31 176.05 2ww3 n ALA 569 N -2.09 3.27 -2.70 2.45 0.00 -0.32 -3.11 120.51 118.00 2ww3 n ALA 569 Ca 0.02 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 2ww3 n ALA 569 Cb 0.38 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.28 4.88 0.57 0.00 -7.23 -0.57 -4.92 120.40 109.85 2ww3 s VAL 570 Ca -0.03 1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 61.84 2ww3 s VAL 570 Cb 0.14 -4.25 -0.06 0.00 0.56 0.00 0.00 36.38 32.77 2ww3 s VAL 570 CO 0.84 0.13 1.01 -2.65 -0.31 0.00 0.00 175.10 174.12 2ww3 n PRO 571 N 4.27 1.05 -1.11 4.82 -0.02 -1.26 -3.03 135.00 139.72 2ww3 n PRO 571 Ca 0.05 0.40 -0.16 0.00 -2.02 0.00 0.00 63.50 61.76 2ww3 n PRO 571 Cb 0.50 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.81 2.01 -1.50 0.52 -0.04 -1.26 -4.73 135.00 129.19 2ww3 n PRO 572 Ca 0.13 -1.43 -0.31 0.00 -0.04 0.00 0.00 63.50 61.85 2ww3 n PRO 572 Cb 0.46 -1.90 0.06 0.00 -0.04 0.00 0.00 33.50 32.08 2ww3 n PRO 572 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2ww3 s ILE 573 N -0.60 3.73 0.05 0.52 -0.00 -1.26 -4.84 121.20 118.79 2ww3 s ILE 573 Ca 0.53 0.59 -0.17 0.00 -0.00 0.00 0.00 60.65 61.60 2ww3 s ILE 573 Cb 0.30 -3.21 0.03 0.00 -0.00 0.00 0.00 42.46 39.58 2ww3 s ILE 573 CO -0.08 -0.71 0.38 0.72 -0.00 0.00 0.00 174.94 175.26 2ww3 s PHE 574 N -2.92 -0.22 -0.24 1.37 -0.12 -1.26 -4.93 117.98 109.65 2ww3 s PHE 574 Ca 0.60 0.15 -0.06 0.00 -0.05 0.00 0.00 56.93 57.58 2ww3 s PHE 574 Cb -0.16 0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.41 2ww3 s PHE 574 CO 0.53 -0.56 0.02 0.34 -0.05 0.00 0.00 175.22 175.51 2ww3 s ASP 575 N -2.04 4.76 -0.13 1.98 -1.08 -0.88 -4.99 116.67 114.30 2ww3 s ASP 575 Ca -0.05 -0.35 0.15 0.00 -0.52 0.00 0.00 52.55 51.78 2ww3 s ASP 575 Cb -0.01 -1.84 0.50 0.00 -1.46 0.00 0.00 42.92 40.11 2ww3 s ASP 575 CO -0.03 -0.05 1.41 -0.90 0.52 0.00 0.00 175.17 176.12 2ww3 n ASP 576 N 4.86 3.77 0.21 -0.34 5.68 -1.26 -2.04 116.55 127.43 2ww3 n ASP 576 Ca -0.17 -2.70 0.10 0.00 -0.50 0.00 0.00 54.79 51.52 2ww3 n ASP 576 Cb 0.51 -0.47 0.65 0.00 -1.14 0.00 0.00 41.12 40.67 2ww3 n ASP 576 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2ww3 h SER 577 N 2.11 0.00 -0.09 -1.12 4.64 -1.92 -0.13 113.55 117.05 2ww3 h SER 577 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2ww3 h SER 577 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2ww3 h SER 577 CO 0.18 0.00 -0.00 0.22 -0.87 0.00 0.00 176.83 176.35 2ww3 h TYR 578 N 0.00 0.25 0.02 4.77 3.20 -1.85 -3.22 116.97 120.14 2ww3 h TYR 578 Ca 0.05 -0.01 -0.35 0.00 3.14 0.00 0.00 58.73 61.56 2ww3 h TYR 578 Cb 0.19 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 2ww3 h TYR 578 CO 0.00 0.27 -2.12 0.66 -1.64 0.00 0.00 178.16 175.33 2ww3 n TYR 579 N -4.38 0.52 -0.65 -3.82 4.01 -0.17 -4.96 117.16 107.70 2ww3 n TYR 579 Ca -0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 2ww3 n TYR 579 Cb 0.18 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.12 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 1.80 0.67 3.61 2.72 0.00 -0.56 -5.01 105.19 108.42 2ww3 n GLY 580 Ca -0.30 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.35 0.86 -1.08 1.61 -2.07 -1.26 -5.06 119.66 112.32 2ww3 s GLN 581 Ca 0.00 -0.40 -0.22 0.00 -1.82 0.00 0.00 55.36 52.92 2ww3 s GLN 581 Cb 0.00 0.34 0.04 0.00 -1.09 0.00 0.00 33.01 32.30 2ww3 s GLN 581 CO 0.00 -0.38 1.59 0.08 -1.32 0.00 0.00 175.29 175.26 2ww3 s VAL 582 N -3.04 3.90 0.72 3.63 1.01 -1.26 -4.91 120.40 120.45 2ww3 s VAL 582 Ca 0.09 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 2ww3 s VAL 582 Cb -0.01 -4.96 0.03 0.00 0.00 0.00 0.00 36.38 31.45 2ww3 s VAL 582 CO -0.04 -1.81 1.20 0.27 0.00 0.00 0.00 175.10 174.72 2ww3 s ILE 583 N 5.62 2.39 0.40 2.22 -4.36 -1.26 -4.73 121.20 121.48 2ww3 s ILE 583 Ca 0.51 0.19 0.16 0.00 -0.26 0.00 0.00 60.65 61.25 2ww3 s ILE 583 Cb 0.00 -2.77 0.37 0.00 1.25 0.00 0.00 42.46 41.31 2ww3 s ILE 583 CO -0.04 -0.10 1.85 1.12 0.24 0.00 0.00 174.94 178.01 2ww3 h HIS 584 N -0.21 0.61 -0.97 1.37 2.07 -1.75 -0.69 115.15 115.57 2ww3 h HIS 584 Ca -0.48 0.02 0.09 0.00 -2.85 0.00 0.00 60.37 57.16 2ww3 h HIS 584 Cb 1.29 -0.19 -0.08 0.00 2.57 0.00 0.00 27.41 31.01 2ww3 h HIS 584 CO 0.47 0.16 0.61 0.93 -3.07 0.00 0.00 177.93 177.04 2ww3 h GLU 585 N 0.46 1.00 -0.20 5.12 3.07 -1.89 0.86 114.58 122.99 2ww3 h GLU 585 Ca 0.48 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.16 2ww3 h GLU 585 Cb 1.11 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.80 2ww3 h GLU 585 CO -0.20 0.66 -0.34 0.82 -1.40 0.00 0.00 179.01 178.55 2ww3 h ILE 586 N 1.03 1.33 -0.67 3.13 2.04 -1.47 -2.18 117.51 120.71 2ww3 h ILE 586 Ca 0.45 -1.56 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 2ww3 h ILE 586 Cb 0.34 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 2ww3 h ILE 586 CO -0.23 0.48 0.35 -0.09 0.00 0.00 0.00 178.15 178.66 2ww3 h ARG 587 N 0.27 0.95 -0.18 2.37 9.65 -1.17 -1.61 114.38 124.66 2ww3 h ARG 587 Ca 0.02 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.79 2ww3 h ARG 587 Cb 0.93 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 2ww3 h ARG 587 CO 0.08 0.73 0.03 0.93 2.80 0.00 0.00 179.97 184.54 2ww3 h GLU 588 N 0.92 0.10 -0.76 0.20 5.08 -0.78 -1.14 114.58 118.21 2ww3 h GLU 588 Ca 0.23 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.73 2ww3 h GLU 588 Cb 0.08 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 2ww3 h GLU 588 CO -0.03 0.07 0.30 1.98 -1.00 0.00 0.00 179.01 180.33 2ww3 h MET 589 N 0.11 0.42 -0.29 2.33 4.05 -0.90 -3.03 114.93 117.62 2ww3 h MET 589 Ca 0.08 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.32 2ww3 h MET 589 Cb 0.08 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2ww3 h MET 589 CO -0.11 0.28 -0.44 1.79 0.23 0.00 0.00 176.91 178.66 2ww3 h THR 590 N 0.44 1.29 0.00 -0.77 1.35 -0.28 -3.23 112.91 111.71 2ww3 h THR 590 Ca 0.42 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 2ww3 h THR 590 Cb 0.65 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2ww3 h THR 590 CO -0.41 0.53 0.00 -0.37 -0.25 0.00 0.00 175.52 175.01 2ww3 h VAL 591 N 0.59 0.00 0.00 6.82 -1.51 -1.19 -3.27 116.25 117.69 2ww3 h VAL 591 Ca 0.04 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 2ww3 h VAL 591 Cb 1.00 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2ww3 h VAL 591 CO 0.09 0.00 -0.22 0.23 -1.23 0.00 0.00 177.57 176.44 2ww3 n MET 592 N -2.56 0.23 -2.63 5.19 2.81 -1.22 -4.94 117.12 114.00 2ww3 n MET 592 Ca 0.03 0.14 -0.18 0.00 -1.81 0.00 0.00 57.70 55.89 2ww3 n MET 592 Cb 0.35 -1.72 0.01 0.00 -0.71 0.00 0.00 33.22 31.15 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 -2.11 -5.20 -1.57 7.83 4.05 -1.23 -4.91 115.26 112.12 2ww3 n ASN 593 Ca 0.05 -0.14 -0.15 0.00 0.45 0.00 0.00 54.58 54.80 2ww3 n ASN 593 Cb 0.42 -4.16 0.10 0.00 1.23 0.00 0.00 39.78 37.37 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 -3.09 2.78 0.00 1.20 2.81 -1.26 -5.08 117.12 114.47 2ww3 n MET 594 Ca -0.14 -3.74 0.00 0.00 -1.81 0.00 0.00 57.70 52.01 2ww3 n MET 594 Cb 0.62 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 -0.89 2.91 0.95 3.03 0.00 -1.18 -1.35 105.19 108.65 2ww3 n GLY 595 Ca 0.38 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 5.76 2.79 -4.57 1.61 3.02 -0.41 -4.31 115.26 119.15 2ww3 n ASN 596 Ca 0.00 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 2ww3 n ASN 596 Cb 0.00 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.41 2.21 -0.42 3.10 5.04 -0.46 -4.87 117.35 120.53 2ww3 s TYR 597 Ca 0.36 0.43 -0.05 0.00 -2.44 0.00 0.00 57.07 55.37 2ww3 s TYR 597 Cb 0.19 -4.39 0.11 0.00 0.35 0.00 0.00 41.96 38.22 2ww3 s TYR 597 CO 0.26 -2.04 0.24 0.00 -1.34 0.00 0.00 175.55 172.67 2ww3 s ALA 598 N 6.35 3.22 0.39 3.97 0.00 -1.26 -4.67 121.76 129.75 2ww3 s ALA 598 Ca 0.52 -2.46 0.24 0.00 0.00 0.00 0.00 51.96 50.27 2ww3 s ALA 598 Cb -0.11 -2.53 1.29 0.00 0.00 0.00 0.00 23.12 21.77 2ww3 s ALA 598 CO 0.23 -1.79 2.02 1.25 0.00 0.00 0.00 175.76 177.47 2ww3 h HIS 599 N 8.20 0.00 0.00 0.00 2.76 -1.92 0.03 115.15 124.22 2ww3 h HIS 599 Ca -0.17 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 2ww3 h HIS 599 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2ww3 h HIS 599 CO 0.59 0.16 0.00 0.78 -1.30 0.00 0.00 177.93 178.16 2ww3 h GLY 600 N 0.94 0.00 -7.05 5.26 0.00 -1.93 -3.42 103.07 96.87 2ww3 h GLY 600 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2ww3 h GLY 600 CO 0.02 0.00 1.10 0.21 0.00 0.00 0.00 176.54 177.87 2ww3 s ASN 601 N -5.34 6.14 0.25 0.19 2.47 -0.01 -4.74 114.94 113.91 2ww3 s ASN 601 Ca 0.01 0.36 -0.03 0.00 0.42 0.00 0.00 52.86 53.62 2ww3 s ASN 601 Cb 0.09 -2.54 0.50 0.00 -1.45 0.00 0.00 41.25 37.85 2ww3 s ASN 601 CO 0.50 -1.68 1.71 1.56 -3.72 0.00 0.00 177.10 175.46 2ww3 h GLN 602 N 11.09 0.37 -0.05 0.43 7.50 -1.86 -0.99 115.11 131.60 2ww3 h GLN 602 Ca -0.27 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 58.87 2ww3 h GLN 602 Cb 1.10 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.54 2ww3 h GLN 602 CO 1.16 0.24 0.06 -1.35 -1.50 0.00 0.00 178.83 177.45 2ww3 h PRO 603 N 0.38 0.00 -0.10 1.46 0.11 -1.90 -1.74 132.00 130.21 2ww3 h PRO 603 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2ww3 h PRO 603 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2ww3 h PRO 603 CO -0.46 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 178.84 2ww3 n ILE 604 N -3.82 0.10 0.28 4.15 3.06 -0.38 -4.45 119.36 118.30 2ww3 n ILE 604 Ca -0.02 -0.52 0.16 0.00 -2.50 0.00 0.00 62.75 59.88 2ww3 n ILE 604 Cb 0.15 1.26 0.79 0.00 0.54 0.00 0.00 39.64 42.39 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 4.34 0.00 0.00 9.51 4.20 -1.24 -1.79 115.11 130.13 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 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2ww3 h GLN 605 CO 0.00 0.06 -0.90 -2.39 -0.67 0.00 0.00 178.83 174.93 2ww3 n HIS 606 N -3.30 0.17 -0.22 2.96 1.44 -1.26 -4.62 115.22 110.39 2ww3 n HIS 606 Ca -0.01 0.05 -0.02 0.00 -2.01 0.00 0.00 57.72 55.73 2ww3 n HIS 606 Cb 0.25 -0.33 0.05 0.00 0.12 0.00 0.00 29.99 30.08 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 -0.06 -0.35 -1.40 -1.53 -1.60 -1.56 114.93 108.43 2ww3 h MET 607 Ca 0.00 0.00 0.02 0.00 -3.44 0.00 0.00 59.70 56.29 2ww3 h MET 607 Cb 0.64 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.69 2ww3 h MET 607 CO 0.00 -0.04 0.23 0.82 0.14 0.00 0.00 176.91 178.07 2ww3 h ILE 608 N -0.06 1.03 0.00 1.77 2.04 -1.82 0.83 117.51 121.30 2ww3 h ILE 608 Ca 0.30 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2ww3 h ILE 608 Cb 0.52 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2ww3 h ILE 608 CO -0.70 0.07 -0.05 1.88 0.00 0.00 0.00 178.15 179.36 2ww3 h TYR 609 N 0.38 0.00 0.00 1.37 -1.99 -1.61 -2.43 116.97 112.69 2ww3 h TYR 609 Ca 0.14 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 2ww3 h TYR 609 Cb 0.09 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.82 2ww3 h TYR 609 CO -0.00 0.05 -0.03 -0.07 -0.00 0.00 0.00 178.16 178.11 2ww3 h LEU 610 N 0.00 0.00 -1.51 3.88 3.38 -0.87 -1.34 115.31 118.85 2ww3 h LEU 610 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 2ww3 h LEU 610 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2ww3 h LEU 610 CO 0.01 0.03 0.57 1.88 0.09 0.00 0.00 178.44 181.01 2ww3 h TYR 611 N 0.00 0.55 -0.46 1.13 0.05 -1.57 -0.99 116.97 115.67 2ww3 h TYR 611 Ca -0.00 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2ww3 h TYR 611 Cb 0.19 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.72 2ww3 h TYR 611 CO 0.00 0.17 0.19 -0.44 -1.05 0.00 0.00 178.16 177.04 2ww3 h ASP 612 N 0.44 0.24 0.62 3.88 5.19 -1.45 -2.10 116.42 123.24 2ww3 h ASP 612 Ca 0.44 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 2ww3 h ASP 612 Cb 1.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2ww3 h ASP 612 CO -0.16 0.18 0.00 1.88 -3.12 0.00 0.00 179.24 178.01 2ww3 h TYR 613 N 0.39 0.00 -0.74 4.55 -1.99 -1.33 -2.11 116.97 115.73 2ww3 h TYR 613 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 2ww3 h TYR 613 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 2ww3 h TYR 613 CO -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.03 2ww3 n ALA 614 N -2.06 2.42 -0.81 3.88 0.00 -0.83 -4.93 120.51 118.18 2ww3 n ALA 614 Ca -0.01 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2ww3 n ALA 614 Cb 0.21 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.66 0.60 2.32 0.00 0.00 -0.79 -4.85 105.19 104.13 2ww3 n GLY 615 Ca 0.25 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.48 1.37 0.30 1.61 6.02 -0.94 -4.56 117.38 118.69 2ww3 n GLN 616 Ca 0.00 -3.66 0.17 0.00 -0.01 0.00 0.00 57.00 53.50 2ww3 n GLN 616 Cb 0.05 -1.71 0.94 0.00 1.02 0.00 0.00 30.24 30.54 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 3.30 0.00 -0.70 -1.09 0.13 -1.83 -1.98 132.00 129.84 2ww3 h PRO 617 Ca 0.10 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.29 2ww3 h PRO 617 Cb 0.86 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.94 2ww3 h PRO 617 CO 0.56 0.04 0.46 0.11 -0.23 0.00 0.00 178.00 178.94 2ww3 h TRP 618 N 0.00 0.76 -0.36 1.56 0.09 -1.90 -0.34 115.95 115.77 2ww3 h TRP 618 Ca -0.00 0.02 -0.08 0.00 0.09 0.00 0.00 58.89 58.92 2ww3 h TRP 618 Cb 0.15 -0.25 -0.02 0.00 0.08 0.00 0.00 29.16 29.12 2ww3 h TRP 618 CO 0.00 0.42 -0.11 0.87 0.09 0.00 0.00 178.44 179.71 2ww3 h LYS 619 N 0.77 0.62 -0.28 0.12 1.57 -1.75 -1.43 116.57 116.20 2ww3 h LYS 619 Ca 0.30 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2ww3 h LYS 619 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2ww3 h LYS 619 CO -0.09 0.72 -0.01 0.00 -0.57 0.00 0.00 179.45 179.50 2ww3 h ALA 620 N 1.31 0.38 -0.76 3.86 0.00 -1.33 -1.88 119.26 120.84 2ww3 h ALA 620 Ca 0.10 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.89 2ww3 h ALA 620 Cb 0.52 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 2ww3 h ALA 620 CO 0.03 0.13 0.37 1.96 0.00 0.00 0.00 179.25 181.75 2ww3 h GLN 621 N 0.28 0.59 0.60 0.00 4.20 -0.86 0.17 115.11 120.08 2ww3 h GLN 621 Ca 0.08 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2ww3 h GLN 621 Cb 0.45 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.10 2ww3 h GLN 621 CO 0.02 0.39 -0.29 -0.92 -0.67 0.00 0.00 178.83 177.36 2ww3 h TYR 622 N 0.60 -0.75 -0.08 2.96 3.20 -1.08 -2.93 116.97 118.90 2ww3 h TYR 622 Ca 0.39 -0.02 -0.21 0.00 3.14 0.00 0.00 58.73 62.03 2ww3 h TYR 622 Cb 0.46 0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2ww3 h TYR 622 CO -0.11 -0.45 -0.81 -1.49 -1.64 0.00 0.00 178.16 173.66 2ww3 h TRP 623 N -0.84 0.74 -0.86 -3.82 4.06 -0.87 -1.89 115.95 112.48 2ww3 h TRP 623 Ca -0.08 -0.35 0.02 0.00 2.06 0.00 0.00 58.89 60.53 2ww3 h TRP 623 Cb 0.63 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.64 2ww3 h TRP 623 CO -0.03 1.15 0.56 -0.07 -3.56 0.00 0.00 178.44 176.49 2ww3 h LEU 624 N 0.35 0.96 -0.29 -4.49 3.38 -0.80 0.16 115.31 114.58 2ww3 h LEU 624 Ca -0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2ww3 h LEU 624 Cb 1.42 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2ww3 h LEU 624 CO 0.15 0.69 -0.05 -0.09 0.09 0.00 0.00 178.44 179.22 2ww3 h ARG 625 N 1.13 0.54 -0.33 1.13 9.65 -1.31 0.91 114.38 126.11 2ww3 h ARG 625 Ca 0.32 -0.20 0.07 0.00 -1.10 0.00 0.00 59.98 59.07 2ww3 h ARG 625 Cb -0.09 -0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.37 2ww3 h ARG 625 CO -0.08 0.73 -0.34 1.96 2.80 0.00 0.00 179.97 185.04 2ww3 h GLN 626 N 0.31 -0.29 0.05 0.20 1.08 -0.93 0.60 115.11 116.13 2ww3 h GLN 626 Ca 0.07 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 2ww3 h GLN 626 Cb 0.52 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 2ww3 h GLN 626 CO 0.03 -0.19 -0.12 0.28 -0.95 0.00 0.00 178.83 177.87 2ww3 h VAL 627 N -0.30 0.71 -0.87 -0.54 2.07 -0.39 0.27 116.25 117.20 2ww3 h VAL 627 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 2ww3 h VAL 627 Cb 0.55 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2ww3 h VAL 627 CO -0.50 0.00 0.56 0.24 0.02 0.00 0.00 177.57 177.90 2ww3 h MET 628 N -0.23 0.93 0.09 1.57 2.86 -0.57 -0.63 114.93 118.95 2ww3 h MET 628 Ca 0.03 -0.06 -0.25 0.00 -2.06 0.00 0.00 59.70 57.36 2ww3 h MET 628 Cb 0.26 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2ww3 h MET 628 CO -0.09 0.62 -1.16 -0.44 1.06 0.00 0.00 176.91 176.90 2ww3 h ASP 629 N 0.96 0.30 0.00 1.22 3.32 -0.33 -3.37 116.42 118.51 2ww3 h ASP 629 Ca 0.37 -0.32 -0.31 0.00 0.02 0.00 0.00 57.03 56.80 2ww3 h ASP 629 Cb 0.23 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 2ww3 h ASP 629 CO -0.14 1.24 -2.17 0.54 -1.72 0.00 0.00 179.24 176.99 2ww3 n ARG 630 N -3.49 0.57 0.00 3.56 1.74 0.90 -4.60 116.66 115.34 2ww3 n ARG 630 Ca -0.06 0.11 0.14 0.00 -0.77 0.00 0.00 57.85 57.27 2ww3 n ARG 630 Cb 0.99 -1.41 0.50 0.00 -1.02 0.00 0.00 32.46 31.52 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 -3.07 0.61 -4.52 5.56 2.81 -0.29 -4.73 117.12 113.49 2ww3 n MET 631 Ca -0.36 -0.27 -0.25 0.00 -1.81 0.00 0.00 57.70 55.01 2ww3 n MET 631 Cb 0.90 -1.49 -0.17 0.00 -0.71 0.00 0.00 33.22 31.75 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 -2.57 1.45 0.18 2.03 1.51 -1.25 -3.00 117.35 115.69 2ww3 s TYR 632 Ca 0.25 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 2ww3 s TYR 632 Cb 0.19 -1.08 -0.05 0.00 -0.11 0.00 0.00 41.96 40.92 2ww3 s TYR 632 CO 0.52 -0.29 -0.03 0.95 -1.11 0.00 0.00 175.55 175.58 2ww3 s THR 633 N 0.75 0.93 -1.96 -0.71 -4.23 0.41 -4.79 115.64 106.04 2ww3 s THR 633 Ca -0.13 -2.02 0.29 0.00 -1.18 0.00 0.00 61.69 58.65 2ww3 s THR 633 Cb -0.16 -2.09 0.52 0.00 1.34 0.00 0.00 72.50 72.11 2ww3 s THR 633 CO 0.03 -0.52 1.84 -0.81 -0.54 0.00 0.00 174.62 174.61 2ww3 n PRO 634 N -0.28 1.04 -1.47 3.99 -0.04 -1.26 -4.12 135.00 132.85 2ww3 n PRO 634 Ca -0.07 -0.44 -0.17 0.00 -0.04 0.00 0.00 63.50 62.78 2ww3 n PRO 634 Cb 0.63 -1.49 0.11 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.22 -0.47 0.39 0.55 0.00 -1.26 -4.76 105.19 100.85 2ww3 n GLY 635 Ca 0.17 -1.83 0.19 0.00 0.00 0.00 0.00 46.02 44.55 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 0.18 -1.28 1.61 0.11 -1.92 -0.88 132.00 129.82 2ww3 h PRO 636 Ca -0.24 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.17 2ww3 h PRO 636 Cb 0.75 -0.04 -0.31 0.00 0.11 0.00 0.00 31.00 31.51 2ww3 h PRO 636 CO 0.20 0.12 0.61 -0.40 -0.21 0.00 0.00 178.00 178.32 2ww3 n ASP 637 N -4.41 7.11 -0.06 -2.05 3.85 -1.26 -0.41 116.55 119.32 2ww3 n ASP 637 Ca 0.13 -3.79 -0.01 0.00 -0.71 0.00 0.00 54.79 50.40 2ww3 n ASP 637 Cb 0.61 -0.89 0.26 0.00 -1.35 0.00 0.00 41.12 39.75 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 2.34 0.70 -1.61 6.12 0.00 -1.29 -3.46 103.07 105.87 2ww3 h GLY 638 Ca 0.55 -0.40 -0.44 0.00 0.00 0.00 0.00 47.33 47.03 2ww3 h GLY 638 CO 1.40 0.37 0.04 -0.19 0.00 0.00 0.00 176.54 178.17 2ww3 s TYR 639 N -5.11 2.76 -1.98 5.60 1.51 -0.68 -0.45 117.35 119.00 2ww3 s TYR 639 Ca -0.09 0.08 0.21 0.00 -1.01 0.00 0.00 57.07 56.26 2ww3 s TYR 639 Cb 0.16 -2.89 0.49 0.00 -0.11 0.00 0.00 41.96 39.60 2ww3 s TYR 639 CO 0.78 -1.09 1.41 0.00 -1.11 0.00 0.00 175.55 175.54 2ww3 n GLY 641 N 1.39 -1.16 3.77 0.00 0.00 -1.21 -4.59 105.19 103.38 2ww3 n GLY 641 Ca 0.20 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2ww3 n GLY 641 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ww3 s ASP 642 N -4.00 6.40 0.02 1.61 1.11 -1.26 -2.15 116.67 118.40 2ww3 s ASP 642 Ca 0.00 2.98 -0.18 0.00 0.18 0.00 0.00 52.55 55.54 2ww3 s ASP 642 Cb 0.00 -2.66 -0.30 0.00 1.07 0.00 0.00 42.92 41.04 2ww3 s ASP 642 CO 0.00 -0.85 1.04 -0.08 1.18 0.00 0.00 175.17 176.46 2ww3 h GLU 643 N 3.53 0.50 -5.21 8.23 4.22 -1.63 -3.44 114.58 120.79 2ww3 h GLU 643 Ca -0.50 -0.71 -0.25 0.00 0.08 0.00 0.00 59.36 57.98 2ww3 h GLU 643 Cb 1.23 0.24 0.17 0.00 0.50 0.00 0.00 28.75 30.89 2ww3 h GLU 643 CO 0.68 1.31 -0.73 -0.25 -2.18 0.00 0.00 179.01 177.84 2ww3 n ASP 644 N -3.93 -4.45 -2.49 1.04 8.00 -1.26 -1.31 116.55 112.14 2ww3 n ASP 644 Ca -0.14 -0.60 -0.18 0.00 0.71 0.00 0.00 54.79 54.58 2ww3 n ASP 644 Cb 0.91 -4.66 0.03 0.00 -0.02 0.00 0.00 41.12 37.38 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 -2.98 -5.32 0.00 -2.24 4.13 -1.26 -1.97 115.26 105.62 2ww3 n ASN 645 Ca -0.14 -0.23 0.00 0.00 1.68 0.00 0.00 54.58 55.89 2ww3 n ASN 645 Cb 0.63 -4.17 0.00 0.00 -1.54 0.00 0.00 39.78 34.69 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 -1.37 1.42 0.38 7.41 0.00 -1.23 -4.58 105.19 107.22 2ww3 n GLY 646 Ca -0.10 0.00 -0.16 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 2.52 -0.90 -0.11 1.61 5.75 -1.39 0.84 115.11 123.43 2ww3 h GLN 647 Ca 0.00 0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2ww3 h GLN 647 Cb 0.00 0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2ww3 h GLN 647 CO 0.00 -0.57 -0.02 1.15 -2.65 0.00 0.00 178.83 176.73 2ww3 h THR 648 N -1.11 1.09 0.06 2.39 2.02 -1.44 -1.02 112.91 114.90 2ww3 h THR 648 Ca -0.10 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2ww3 h THR 648 Cb 0.75 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2ww3 h THR 648 CO 0.16 0.11 -0.03 0.28 0.37 0.00 0.00 175.52 176.41 2ww3 h SER 649 N 0.15 -0.07 0.02 4.18 0.02 -1.69 -3.22 113.55 112.94 2ww3 h SER 649 Ca 0.04 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2ww3 h SER 649 Cb 0.15 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2ww3 h SER 649 CO 0.00 0.52 -0.01 0.00 -1.14 0.00 0.00 176.83 176.21 2ww3 h ALA 650 N 0.13 1.77 -0.53 3.77 0.00 1.00 0.50 119.26 125.90 2ww3 h ALA 650 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2ww3 h ALA 650 Cb 0.59 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 2ww3 h ALA 650 CO 0.01 0.02 0.13 2.35 0.00 0.00 0.00 179.25 181.76 2ww3 h TRP 651 N 0.00 0.21 -0.28 0.00 7.01 -1.20 0.38 115.95 122.07 2ww3 h TRP 651 Ca -0.00 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 60.87 2ww3 h TRP 651 Cb 0.03 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 2ww3 h TRP 651 CO 0.00 0.01 -0.47 -0.92 -2.79 0.00 0.00 178.44 174.27 2ww3 h TYR 652 N 0.27 0.90 0.69 2.65 5.03 -0.96 0.14 116.97 125.69 2ww3 h TYR 652 Ca 0.27 -0.29 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 2ww3 h TYR 652 Cb 0.36 -0.18 0.01 0.00 1.55 0.00 0.00 36.73 38.46 2ww3 h TYR 652 CO -0.22 1.06 -0.33 0.28 -1.32 0.00 0.00 178.16 177.63 2ww3 h VAL 653 N 0.58 0.31 -0.08 1.81 2.07 -0.71 0.21 116.25 120.44 2ww3 h VAL 653 Ca 0.03 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2ww3 h VAL 653 Cb 1.03 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2ww3 h VAL 653 CO 0.10 0.00 -0.26 -0.26 0.02 0.00 0.00 177.57 177.17 2ww3 h PHE 654 N -0.96 -0.70 -0.30 1.57 0.04 -0.94 -2.72 116.94 112.93 2ww3 h PHE 654 Ca -0.09 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 2ww3 h PHE 654 Cb 0.72 0.32 -0.02 0.00 2.20 0.00 0.00 35.95 39.18 2ww3 h PHE 654 CO -0.02 -0.35 -0.08 0.77 -0.60 0.00 0.00 178.31 178.03 2ww3 h SER 655 N -0.36 0.47 0.79 2.17 0.02 -0.52 -0.76 113.55 115.36 2ww3 h SER 655 Ca 0.09 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 2ww3 h SER 655 Cb 0.48 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2ww3 h SER 655 CO -0.28 0.59 -0.17 0.00 -1.14 0.00 0.00 176.83 175.83 2ww3 h ALA 656 N 1.46 1.07 0.00 3.77 0.00 -0.46 -2.00 119.26 123.10 2ww3 h ALA 656 Ca 0.09 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2ww3 h ALA 656 Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ww3 h ALA 656 CO 0.02 0.21 -0.44 -0.07 0.00 0.00 0.00 179.25 178.98 2ww3 h LEU 657 N 0.00 0.00 0.00 0.00 3.38 -0.84 0.43 115.31 118.28 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 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2ww3 h LEU 657 CO 0.02 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.60 2ww3 n GLY 658 N 1.01 1.38 3.72 0.83 0.00 -0.75 -4.53 105.19 106.85 2ww3 n GLY 658 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.27 -0.21 1.61 -0.12 -1.15 -0.95 117.98 114.90 2ww3 s PHE 659 Ca 0.00 -0.08 -0.15 0.00 -0.05 0.00 0.00 56.93 56.65 2ww3 s PHE 659 Cb 0.00 0.65 0.06 0.00 -0.63 0.00 0.00 43.02 43.10 2ww3 s PHE 659 CO 0.00 -1.03 0.52 -0.47 -0.05 0.00 0.00 175.22 174.19 2ww3 s TYR 660 N -3.72 -0.70 -1.22 3.49 6.14 0.32 -3.86 117.35 117.81 2ww3 s TYR 660 Ca 0.09 1.54 -0.20 0.00 0.64 0.00 0.00 57.07 59.13 2ww3 s TYR 660 Cb -0.04 0.32 -0.02 0.00 0.42 0.00 0.00 41.96 42.64 2ww3 s TYR 660 CO 0.01 -0.36 1.88 -0.35 0.64 0.00 0.00 175.55 177.36 2ww3 n PRO 661 N 3.66 2.35 -0.36 4.97 -0.04 -1.26 0.11 135.00 144.42 2ww3 n PRO 661 Ca -0.18 -2.76 0.06 0.00 -0.04 0.00 0.00 63.50 60.58 2ww3 n PRO 661 Cb 0.57 -3.53 0.22 0.00 -0.04 0.00 0.00 33.50 30.72 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 5.58 0.96 -2.83 0.52 2.07 -1.87 -3.34 116.25 117.34 2ww3 h VAL 662 Ca 0.36 -0.35 -0.60 0.00 0.82 0.00 0.00 66.70 66.92 2ww3 h VAL 662 Cb 0.86 -0.16 -0.40 0.00 -1.52 0.00 0.00 31.29 30.07 2ww3 h VAL 662 CO 1.44 0.19 -0.78 0.00 0.02 0.00 0.00 177.57 178.44 2ww3 n PRO 664 N 3.28 1.89 0.00 0.00 -0.02 -1.25 -2.03 135.00 136.87 2ww3 n PRO 664 Ca 0.15 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2ww3 n PRO 664 Cb 0.37 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 0.72 2.85 4.00 -1.23 0.00 -1.26 -4.84 105.19 105.43 2ww3 n GLY 665 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.61 2.54 -0.59 2.61 -4.23 -0.86 -4.89 115.64 107.62 2ww3 s THR 666 Ca 0.00 -1.06 0.10 0.00 -1.18 0.00 0.00 61.69 59.55 2ww3 s THR 666 Cb 0.00 -2.60 0.57 0.00 1.34 0.00 0.00 72.50 71.80 2ww3 s THR 666 CO 0.00 0.00 1.37 -0.90 -0.54 0.00 0.00 174.62 174.55 2ww3 n ASP 667 N -1.98 4.20 -4.71 3.99 5.75 -1.26 -4.98 116.55 117.56 2ww3 n ASP 667 Ca 0.10 -2.60 -0.31 0.00 -0.01 0.00 0.00 54.79 51.96 2ww3 n ASP 667 Cb 0.61 -0.61 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 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 -2.16 2.76 -0.17 0.11 2.02 -1.26 0.02 118.70 120.01 2ww3 s GLU 668 Ca 0.38 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.70 2ww3 s GLU 668 Cb 0.28 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.87 2ww3 s GLU 668 CO 0.12 0.59 -0.19 0.71 0.02 0.00 0.00 175.26 176.51 2ww3 s TYR 669 N -1.21 2.65 0.19 1.61 1.51 -0.04 -4.49 117.35 117.57 2ww3 s TYR 669 Ca 0.23 -1.52 -0.26 0.00 -1.01 0.00 0.00 57.07 54.51 2ww3 s TYR 669 Cb -0.12 -1.84 -0.08 0.00 -0.11 0.00 0.00 41.96 39.81 2ww3 s TYR 669 CO 0.15 -0.75 0.82 0.08 -1.11 0.00 0.00 175.55 174.74 2ww3 s VAL 670 N 1.24 4.29 0.20 0.71 1.01 0.30 -1.28 120.40 126.87 2ww3 s VAL 670 Ca 0.03 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 2ww3 s VAL 670 Cb -0.13 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 2ww3 s VAL 670 CO -0.11 0.49 1.04 -0.32 0.00 0.00 0.00 175.10 176.20 2ww3 s MET 671 N -1.22 4.69 0.00 2.72 1.75 0.15 -0.52 119.30 126.86 2ww3 s MET 671 Ca 0.38 1.63 0.00 0.00 -1.25 0.00 0.00 55.69 56.45 2ww3 s MET 671 Cb -0.24 -3.28 0.00 0.00 2.84 0.00 0.00 34.83 34.15 2ww3 s MET 671 CO 0.28 0.23 0.00 0.41 -0.65 0.00 0.00 175.02 175.29 2ww3 n GLY 672 N 1.79 1.93 3.27 2.11 0.00 -0.12 -4.91 105.19 109.25 2ww3 n GLY 672 Ca 0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 2.57 -0.21 0.42 2.61 -1.32 -1.25 -4.69 115.64 113.77 2ww3 s THR 673 Ca 0.00 0.12 -0.24 0.00 -1.21 0.00 0.00 61.69 60.35 2ww3 s THR 673 Cb 0.00 -0.63 -0.08 0.00 -1.51 0.00 0.00 72.50 70.28 2ww3 s THR 673 CO 0.00 0.05 1.15 -2.16 -2.21 0.00 0.00 174.62 171.45 2ww3 s PRO 674 N 1.77 3.99 -0.05 7.08 0.04 -1.26 -4.30 135.00 142.27 2ww3 s PRO 674 Ca -0.07 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.79 2ww3 s PRO 674 Cb -0.09 -2.58 -0.24 0.00 0.04 0.00 0.00 34.50 31.62 2ww3 s PRO 674 CO -0.13 -0.35 0.64 1.25 0.04 0.00 0.00 177.00 178.45 2ww3 h LEU 675 N 2.46 0.16 -9.88 -3.56 5.85 -1.13 -3.48 115.31 105.73 2ww3 h LEU 675 Ca -0.49 -0.33 -0.51 0.00 0.84 0.00 0.00 57.88 57.40 2ww3 h LEU 675 Cb 1.23 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2ww3 h LEU 675 CO 0.62 1.29 -0.53 -0.36 -0.34 0.00 0.00 178.44 179.12 2ww3 s PHE 676 N -2.60 3.04 0.26 1.25 0.08 -1.26 -4.88 117.98 113.88 2ww3 s PHE 676 Ca -0.10 -0.15 0.19 0.00 0.12 0.00 0.00 56.93 56.99 2ww3 s PHE 676 Cb 0.08 -1.43 0.81 0.00 -0.57 0.00 0.00 43.02 41.91 2ww3 s PHE 676 CO 0.81 0.49 1.81 0.87 -0.10 0.00 0.00 175.22 179.10 2ww3 h LYS 677 N 1.50 0.00 -2.33 0.44 1.57 -1.22 -3.41 116.57 113.12 2ww3 h LYS 677 Ca -0.48 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.25 2ww3 h LYS 677 Cb 1.24 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.32 2ww3 h LYS 677 CO 0.60 0.34 -0.10 0.21 -0.57 0.00 0.00 179.45 179.93 2ww3 s LYS 678 N -3.83 0.60 -0.04 3.15 2.20 -0.83 -0.54 119.74 120.44 2ww3 s LYS 678 Ca -0.01 0.93 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 2ww3 s LYS 678 Cb 0.12 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.62 2ww3 s LYS 678 CO 0.68 -0.13 -0.03 0.00 -0.36 0.00 0.00 175.35 175.51 2ww3 s ALA 679 N 1.06 0.60 -0.17 3.13 0.00 -1.02 0.30 121.76 125.66 2ww3 s ALA 679 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 2ww3 s ALA 679 Cb -0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 2ww3 s ALA 679 CO -0.10 -0.05 -0.13 0.99 0.00 0.00 0.00 175.76 176.47 2ww3 s THR 680 N 0.99 2.81 -0.19 0.00 2.01 0.48 -0.63 115.64 121.11 2ww3 s THR 680 Ca -0.10 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.07 2ww3 s THR 680 Cb -0.14 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2ww3 s THR 680 CO -0.01 0.50 0.21 -0.76 -0.69 0.00 0.00 174.62 173.87 2ww3 s LEU 681 N 1.00 4.22 -0.36 4.42 1.43 -0.16 -1.22 118.68 128.01 2ww3 s LEU 681 Ca -0.01 0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.39 2ww3 s LEU 681 Cb -0.15 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 43.92 2ww3 s LEU 681 CO -0.02 0.13 0.14 -1.00 0.23 0.00 0.00 176.35 175.83 2ww3 s HIS 682 N 0.46 3.37 0.66 0.29 3.76 0.43 -1.05 115.29 123.21 2ww3 s HIS 682 Ca 0.12 -1.86 -0.11 0.00 -0.15 0.00 0.00 55.06 53.06 2ww3 s HIS 682 Cb -0.12 -2.65 -0.02 0.00 1.11 0.00 0.00 32.58 30.91 2ww3 s HIS 682 CO 0.01 -0.84 1.05 -0.06 -0.85 0.00 0.00 174.74 174.05 2ww3 s PHE 683 N 1.29 3.46 -0.10 1.40 0.08 -0.42 -4.81 117.98 118.87 2ww3 s PHE 683 Ca 0.01 1.23 0.29 0.00 0.12 0.00 0.00 56.93 58.59 2ww3 s PHE 683 Cb -0.21 -2.85 1.32 0.00 -0.57 0.00 0.00 43.02 40.71 2ww3 s PHE 683 CO -0.00 -0.93 1.88 0.93 -0.10 0.00 0.00 175.22 177.00 2ww3 h GLU 684 N -0.49 0.00 -0.00 0.44 5.08 -1.86 -2.22 114.58 115.53 2ww3 h GLU 684 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2ww3 h GLU 684 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2ww3 h GLU 684 CO 0.62 0.00 -0.06 0.27 -1.00 0.00 0.00 179.01 178.84 2ww3 n ASN 685 N -2.63 0.53 0.00 1.42 2.04 -1.26 -4.91 115.26 110.44 2ww3 n ASN 685 Ca 0.00 -0.84 0.00 0.00 -0.44 0.00 0.00 54.58 53.31 2ww3 n ASN 685 Cb 0.21 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.41 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 1.19 0.74 3.88 4.83 0.00 -0.83 -5.06 105.19 109.93 2ww3 n GLY 686 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.75 6.56 0.12 1.61 0.01 -1.26 -4.92 114.94 114.31 2ww3 s ASN 687 Ca 0.00 1.02 0.08 0.00 -0.71 0.00 0.00 52.86 53.26 2ww3 s ASN 687 Cb 0.00 -2.27 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 2ww3 s ASN 687 CO 0.00 -0.27 -0.21 -0.44 -1.51 0.00 0.00 177.10 174.68 2ww3 s SER 688 N -2.88 2.62 -0.06 -1.22 0.01 -1.26 -1.30 113.70 109.61 2ww3 s SER 688 Ca 0.49 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 57.04 2ww3 s SER 688 Cb -0.11 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 65.99 2ww3 s SER 688 CO 0.27 0.04 -0.11 -0.22 0.41 0.00 0.00 173.24 173.63 2ww3 s LEU 689 N -2.12 1.63 -0.20 2.44 2.96 -0.22 -0.98 118.68 122.19 2ww3 s LEU 689 Ca 0.09 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.67 2ww3 s LEU 689 Cb -0.09 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.81 2ww3 s LEU 689 CO 0.05 0.03 0.05 -0.69 -1.32 0.00 0.00 176.35 174.47 2ww3 s VAL 690 N 0.63 4.49 -0.50 1.68 1.01 0.65 -0.99 120.40 127.37 2ww3 s VAL 690 Ca -0.13 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 2ww3 s VAL 690 Cb -0.15 -3.04 0.11 0.00 0.00 0.00 0.00 36.38 33.30 2ww3 s VAL 690 CO 0.03 0.43 0.43 -0.63 0.00 0.00 0.00 175.10 175.36 2ww3 s ILE 691 N 0.74 5.00 -0.38 2.22 1.01 0.20 0.30 121.20 130.29 2ww3 s ILE 691 Ca 0.02 -1.42 -0.18 0.00 0.00 0.00 0.00 60.65 59.07 2ww3 s ILE 691 Cb -0.14 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.19 2ww3 s ILE 691 CO 0.02 -0.75 0.52 -1.81 0.00 0.00 0.00 174.94 172.92 2ww3 s ASP 692 N 3.10 6.29 -0.50 3.58 -0.00 0.44 -2.43 116.67 127.15 2ww3 s ASP 692 Ca 0.04 -0.22 0.08 0.00 -0.00 0.00 0.00 52.55 52.44 2ww3 s ASP 692 Cb -0.27 -2.27 0.31 0.00 -0.00 0.00 0.00 42.92 40.69 2ww3 s ASP 692 CO 0.03 -0.56 0.78 0.00 -0.00 0.00 0.00 175.17 175.42 2ww3 n ALA 693 N 5.82 3.45 0.28 5.23 0.00 0.29 0.08 120.51 135.65 2ww3 n ALA 693 Ca -0.05 -4.15 0.16 0.00 0.00 0.00 0.00 53.44 49.40 2ww3 n ALA 693 Cb 0.48 -0.83 0.81 0.00 0.00 0.00 0.00 19.45 19.91 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 3.40 0.00 -0.49 0.00 0.13 -1.77 -0.40 132.00 132.86 2ww3 h PRO 694 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2ww3 h PRO 694 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2ww3 h PRO 694 CO 0.68 0.07 0.00 -1.71 -0.23 0.00 0.00 178.00 176.81 2ww3 n ASN 695 N -3.40 2.68 -4.76 1.44 5.15 -1.26 -4.95 115.26 110.15 2ww3 n ASN 695 Ca -0.01 -1.99 -0.39 0.00 -0.60 0.00 0.00 54.58 51.58 2ww3 n ASN 695 Cb 0.23 -0.33 0.01 0.00 -0.53 0.00 0.00 39.78 39.16 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 -1.03 5.93 0.27 1.20 3.84 -0.16 -4.74 114.94 120.24 2ww3 s ASN 696 Ca 0.34 2.73 -0.20 0.00 0.21 0.00 0.00 52.86 55.94 2ww3 s ASN 696 Cb 0.18 -2.64 0.06 0.00 -0.55 0.00 0.00 41.25 38.29 2ww3 s ASN 696 CO 0.23 -1.12 0.88 -0.94 -2.79 0.00 0.00 177.10 173.36 2ww3 s SER 697 N -0.77 -0.08 0.36 -4.21 1.04 -1.24 -4.87 113.70 103.93 2ww3 s SER 697 Ca 0.62 -0.78 0.11 0.00 0.48 0.00 0.00 55.95 56.38 2ww3 s SER 697 Cb -0.39 0.67 0.89 0.00 0.10 0.00 0.00 66.02 67.28 2ww3 s SER 697 CO 0.50 -1.29 1.82 0.74 0.98 0.00 0.00 173.24 175.99 2ww3 h THR 698 N 2.00 0.72 0.00 2.02 2.02 -1.96 -3.00 112.91 114.71 2ww3 h THR 698 Ca -0.27 -0.21 -0.31 0.00 0.77 0.00 0.00 66.41 66.39 2ww3 h THR 698 Cb 1.24 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2ww3 h THR 698 CO 0.33 0.11 -1.88 -0.62 0.37 0.00 0.00 175.52 173.84 2ww3 n GLU 699 N -4.62 0.65 -2.73 6.66 4.71 -1.26 -4.63 120.64 119.42 2ww3 n GLU 699 Ca 0.21 0.22 -0.43 0.00 -0.01 0.00 0.00 57.16 57.14 2ww3 n GLU 699 Cb 0.61 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 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 -2.96 5.42 -0.48 1.62 5.03 -1.13 -4.18 115.26 118.58 2ww3 n ASN 700 Ca -0.21 -3.13 0.08 0.00 0.87 0.00 0.00 54.58 52.20 2ww3 n ASN 700 Cb 1.07 -1.45 0.02 0.00 -1.02 0.00 0.00 39.78 38.40 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 3.73 0.00 -3.20 3.10 1.16 -1.08 -3.68 117.46 117.48 2ww3 n PHE 701 Ca 0.35 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.61 2ww3 n PHE 701 Cb 0.38 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 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 -1.79 3.39 -0.41 2.97 2.02 -0.61 -4.73 117.35 118.19 2ww3 s TYR 702 Ca 0.16 1.12 -0.18 0.00 -0.37 0.00 0.00 57.07 57.80 2ww3 s TYR 702 Cb 0.14 -2.46 0.02 0.00 -0.40 0.00 0.00 41.96 39.26 2ww3 s TYR 702 CO 0.35 0.13 0.48 0.42 -1.57 0.00 0.00 175.55 175.37 2ww3 s ILE 703 N -1.95 5.03 0.02 2.71 1.01 -1.26 -0.53 121.20 126.23 2ww3 s ILE 703 Ca 0.52 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 2ww3 s ILE 703 Cb -0.10 -4.05 -0.28 0.00 0.01 0.00 0.00 42.46 38.03 2ww3 s ILE 703 CO 0.19 -0.42 1.07 -0.78 0.00 0.00 0.00 174.94 174.99 2ww3 h ASP 704 N 8.72 0.73 -5.01 3.58 3.58 -1.03 -3.41 116.42 123.57 2ww3 h ASP 704 Ca -0.27 -0.83 0.06 0.00 0.42 0.00 0.00 57.03 56.41 2ww3 h ASP 704 Cb 1.11 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.87 2ww3 h ASP 704 CO 0.81 1.48 0.21 -0.94 -2.88 0.00 0.00 179.24 177.92 2ww3 s SER 705 N -7.18 -0.27 0.07 2.28 1.04 -1.21 -4.89 113.70 103.54 2ww3 s SER 705 Ca -0.11 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.75 2ww3 s SER 705 Cb 0.04 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.84 2ww3 s SER 705 CO 0.89 -1.31 -0.07 -0.04 0.98 0.00 0.00 173.24 173.69 2ww3 s MET 706 N -3.91 0.66 0.03 4.02 -1.94 -1.26 -0.60 119.30 116.30 2ww3 s MET 706 Ca 0.11 -1.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 2ww3 s MET 706 Cb -0.05 -0.21 -0.02 0.00 2.01 0.00 0.00 34.83 36.55 2ww3 s MET 706 CO 0.06 0.01 -0.05 -1.54 -0.01 0.00 0.00 175.02 173.48 2ww3 s SER 707 N -2.28 0.58 -0.32 3.03 1.04 -0.50 -1.23 113.70 114.02 2ww3 s SER 707 Ca 0.00 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.89 2ww3 s SER 707 Cb -0.02 0.07 0.10 0.00 0.10 0.00 0.00 66.02 66.27 2ww3 s SER 707 CO -0.02 -0.27 0.06 0.12 0.98 0.00 0.00 173.24 174.10 2ww3 s PHE 708 N -1.60 2.94 -1.22 5.02 2.19 0.28 -0.94 117.98 124.64 2ww3 s PHE 708 Ca -0.11 -2.47 -0.06 0.00 0.33 0.00 0.00 56.93 54.61 2ww3 s PHE 708 Cb -0.09 -2.40 -0.01 0.00 -1.31 0.00 0.00 43.02 39.21 2ww3 s PHE 708 CO -0.01 -0.91 0.75 0.09 1.83 0.00 0.00 175.22 176.97 2ww3 n ASN 709 N 4.49 -3.10 0.00 6.13 5.03 0.38 -2.26 115.26 125.93 2ww3 n ASN 709 Ca 0.01 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.60 2ww3 n ASN 709 Cb 0.42 -4.05 0.00 0.00 -1.02 0.00 0.00 39.78 35.13 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 -1.55 2.96 3.89 7.41 0.00 -1.26 -4.99 105.19 111.65 2ww3 n GLY 710 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.57 3.89 0.31 4.61 0.00 -0.96 -5.04 121.76 122.01 2ww3 s ALA 711 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 2ww3 s ALA 711 Cb 0.00 -1.98 -0.11 0.00 0.00 0.00 0.00 23.12 21.04 2ww3 s ALA 711 CO 0.00 0.66 1.45 0.34 0.00 0.00 0.00 175.76 178.21 2ww3 s ASP 712 N -1.46 6.54 -0.37 0.00 -1.08 -1.26 0.99 116.67 120.02 2ww3 s ASP 712 Ca 0.22 2.84 0.01 0.00 -0.52 0.00 0.00 52.55 55.10 2ww3 s ASP 712 Cb -0.13 -2.64 0.11 0.00 -1.46 0.00 0.00 42.92 38.80 2ww3 s ASP 712 CO 0.12 -0.75 0.14 -2.28 0.52 0.00 0.00 175.17 172.91 2ww3 s HIS 713 N -0.61 2.33 -1.67 -5.34 5.65 -0.36 -4.71 115.29 110.57 2ww3 s HIS 713 Ca 0.56 -2.31 0.24 0.00 0.25 0.00 0.00 55.06 53.79 2ww3 s HIS 713 Cb -0.44 -2.10 0.23 0.00 -1.18 0.00 0.00 32.58 29.09 2ww3 s HIS 713 CO 0.52 -0.86 1.23 0.25 -0.65 0.00 0.00 174.74 175.24 2ww3 n THR 714 N 4.22 0.00 -2.04 0.89 -2.24 -1.26 -4.02 114.28 109.83 2ww3 n THR 714 Ca 0.03 -0.15 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 2ww3 n THR 714 Cb 0.39 0.85 0.03 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.63 3.04 -0.12 -0.78 1.02 -1.26 -3.72 119.74 115.30 2ww3 s LYS 715 Ca 0.18 1.68 0.05 0.00 0.02 0.00 0.00 55.97 57.89 2ww3 s LYS 715 Cb 0.18 -1.96 0.34 0.00 -0.52 0.00 0.00 37.83 35.87 2ww3 s LYS 715 CO 0.62 -1.11 1.12 0.09 -0.92 0.00 0.00 175.35 175.15 2ww3 n ASN 716 N -1.67 3.11 -3.64 2.83 5.03 0.83 -4.90 115.26 116.85 2ww3 n ASN 716 Ca 0.12 -2.47 -0.10 0.00 0.87 0.00 0.00 54.58 53.00 2ww3 n ASN 716 Cb 0.50 -0.60 -0.03 0.00 -1.02 0.00 0.00 39.78 38.64 2ww3 n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ww3 s TYR 717 N -1.68 -0.28 0.09 3.10 1.13 -1.26 0.30 117.35 118.75 2ww3 s TYR 717 Ca 0.24 -0.04 0.06 0.00 -1.41 0.00 0.00 57.07 55.92 2ww3 s TYR 717 Cb 0.19 0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 41.49 2ww3 s TYR 717 CO 0.06 -0.92 -0.15 -0.51 -2.51 0.00 0.00 175.55 171.52 2ww3 s LEU 718 N -2.83 2.31 -0.12 -3.49 1.43 -0.40 -4.93 118.68 110.66 2ww3 s LEU 718 Ca 0.06 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 2ww3 s LEU 718 Cb -0.01 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 2ww3 s LEU 718 CO -0.06 -0.08 0.11 -0.13 0.23 0.00 0.00 176.35 176.43 2ww3 s ARG 719 N -2.01 3.39 0.17 1.70 0.52 -1.26 -0.86 118.95 120.60 2ww3 s ARG 719 Ca 0.02 -0.18 -0.22 0.00 -0.52 0.00 0.00 55.73 54.82 2ww3 s ARG 719 Cb -0.09 -3.13 0.08 0.00 0.52 0.00 0.00 34.95 32.34 2ww3 s ARG 719 CO 0.03 0.74 1.59 1.25 0.02 0.00 0.00 175.30 178.93 2ww3 h HIS 720 N 5.09 -0.95 -0.61 -0.53 -0.00 -0.78 -0.28 115.15 117.09 2ww3 h HIS 720 Ca -0.54 0.07 0.07 0.00 -0.00 0.00 0.00 60.37 59.97 2ww3 h HIS 720 Cb 1.22 0.49 -0.04 0.00 -0.00 0.00 0.00 27.41 29.08 2ww3 h HIS 720 CO 0.73 -0.39 0.40 0.93 -0.00 0.00 0.00 177.93 179.61 2ww3 h GLU 721 N -0.22 0.54 -0.04 5.26 3.07 -1.96 -1.28 114.58 119.95 2ww3 h GLU 721 Ca 0.20 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 2ww3 h GLU 721 Cb 0.55 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2ww3 h GLU 721 CO -0.61 0.36 -0.37 -0.44 -1.40 0.00 0.00 179.01 176.55 2ww3 h ASP 722 N 0.55 0.40 -0.71 1.42 3.32 -1.51 -3.07 116.42 116.82 2ww3 h ASP 722 Ca 0.27 -0.70 0.10 0.00 0.02 0.00 0.00 57.03 56.72 2ww3 h ASP 722 Cb 0.34 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.70 2ww3 h ASP 722 CO -0.08 1.04 0.34 -0.07 -1.72 0.00 0.00 179.24 178.75 2ww3 h LEU 723 N -0.21 0.42 -1.79 1.55 3.38 -0.56 -1.83 115.31 116.27 2ww3 h LEU 723 Ca -0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ww3 h LEU 723 Cb 1.06 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2ww3 h LEU 723 CO 0.08 0.23 0.00 -0.26 0.09 0.00 0.00 178.44 178.58 2ww3 h PHE 724 N 0.57 0.00 0.00 1.13 -1.00 -1.18 -1.25 116.94 115.20 2ww3 h PHE 724 Ca 0.35 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.12 2ww3 h PHE 724 Cb 0.40 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 2ww3 h PHE 724 CO -0.12 0.00 -0.29 0.87 -1.61 0.00 0.00 178.31 177.16 2ww3 h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.24 -3.45 116.57 114.96 2ww3 h LYS 725 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ww3 h LYS 725 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2ww3 h LYS 725 CO 0.00 0.06 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 2ww3 n GLY 726 N 1.14 -2.40 0.00 3.86 0.00 -0.47 -4.87 105.19 102.44 2ww3 n GLY 726 Ca 0.03 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.53 0.32 2.80 -0.02 0.00 -0.15 -4.92 105.19 102.69 2ww3 n GLY 727 Ca 0.00 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.05 -0.18 2.61 2.01 -1.26 -0.26 115.64 118.51 2ww3 s THR 728 Ca 0.00 0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 2ww3 s THR 728 Cb 0.00 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.40 2ww3 s THR 728 CO 0.00 0.08 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.31 2ww3 s ILE 729 N 0.95 3.38 -0.16 1.82 1.01 0.15 -0.47 121.20 127.87 2ww3 s ILE 729 Ca -0.08 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 2ww3 s ILE 729 Cb -0.11 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2ww3 s ILE 729 CO -0.03 0.47 0.03 -0.75 0.00 0.00 0.00 174.94 174.65 2ww3 s LYS 730 N 0.91 3.77 -0.21 2.79 2.47 -0.12 -0.42 119.74 128.94 2ww3 s LYS 730 Ca -0.01 -0.40 0.02 0.00 -1.56 0.00 0.00 55.97 54.01 2ww3 s LYS 730 Cb -0.15 -3.07 0.04 0.00 -1.46 0.00 0.00 37.83 33.18 2ww3 s LYS 730 CO 0.01 0.32 -0.15 0.08 0.16 0.00 0.00 175.35 175.76 2ww3 s VAL 731 N 0.20 2.00 -0.52 4.02 1.01 0.11 -1.41 120.40 125.83 2ww3 s VAL 731 Ca 0.02 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 2ww3 s VAL 731 Cb -0.13 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.35 2ww3 s VAL 731 CO 0.01 0.30 0.81 -1.81 0.00 0.00 0.00 175.10 174.42 2ww3 s ASP 732 N 1.26 6.32 0.25 3.32 1.11 0.23 -4.26 116.67 124.90 2ww3 s ASP 732 Ca -0.00 -0.47 -0.13 0.00 0.18 0.00 0.00 52.55 52.14 2ww3 s ASP 732 Cb -0.16 -2.38 -0.08 0.00 1.07 0.00 0.00 42.92 41.37 2ww3 s ASP 732 CO -0.10 -1.06 0.63 -0.04 1.18 0.00 0.00 175.17 175.78 2ww3 s MET 733 N 3.42 3.92 0.08 8.23 -1.94 -1.26 -0.39 119.30 131.36 2ww3 s MET 733 Ca 0.26 0.47 -0.07 0.00 -1.71 0.00 0.00 55.69 54.63 2ww3 s MET 733 Cb -0.14 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.08 2ww3 s MET 733 CO 0.18 0.28 0.15 0.45 -0.01 0.00 0.00 175.02 176.07 2ww3 s SER 734 N -2.22 0.18 0.00 3.03 0.15 0.31 -4.81 113.70 110.34 2ww3 s SER 734 Ca 0.49 -0.70 0.19 0.00 0.70 0.00 0.00 55.95 56.63 2ww3 s SER 734 Cb -0.12 0.31 0.66 0.00 -1.71 0.00 0.00 66.02 65.17 2ww3 s SER 734 CO 0.20 -0.70 1.49 -0.46 1.20 0.00 0.00 173.24 174.97 2ww3 n ASN 735 N 0.00 1.79 -4.16 5.45 0.23 -1.26 -1.58 115.26 115.73 2ww3 n ASN 735 Ca -0.15 -1.77 -0.24 0.00 -0.53 0.00 0.00 54.58 51.89 2ww3 n ASN 735 Cb 0.62 -0.14 -0.15 0.00 -2.08 0.00 0.00 39.78 38.04 2ww3 n ASN 735 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2ww3 s ARG 736 N -1.73 1.31 0.68 -3.83 1.81 -1.26 -4.95 118.95 110.98 2ww3 s ARG 736 Ca 0.31 -0.65 -0.14 0.00 -1.72 0.00 0.00 55.73 53.53 2ww3 s ARG 736 Cb 0.17 -1.29 0.01 0.00 -0.45 0.00 0.00 34.95 33.39 2ww3 s ARG 736 CO 0.25 0.35 1.11 -1.25 -0.68 0.00 0.00 175.30 175.07 2ww3 s PRO 737 N -0.57 2.68 -0.46 3.54 0.04 -1.26 -4.80 135.00 134.18 2ww3 s PRO 737 Ca 0.06 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.38 2ww3 s PRO 737 Cb -0.07 -1.94 0.11 0.00 0.04 0.00 0.00 34.50 32.65 2ww3 s PRO 737 CO -0.00 -1.34 0.32 1.21 0.04 0.00 0.00 177.00 177.23 2ww3 s ASN 738 N -2.71 5.64 0.01 6.66 3.84 -1.26 -4.94 114.94 122.17 2ww3 s ASN 738 Ca 0.66 -1.88 0.14 0.00 0.21 0.00 0.00 52.86 51.99 2ww3 s ASN 738 Cb -0.20 -1.99 0.59 0.00 -0.55 0.00 0.00 41.25 39.10 2ww3 s ASN 738 CO 0.44 -0.66 1.44 0.18 -2.79 0.00 0.00 177.10 175.71 2ww3 n LEU 739 N 4.87 0.03 -0.05 3.21 4.32 -1.26 -2.99 117.00 125.13 2ww3 n LEU 739 Ca -0.07 0.51 0.01 0.00 -0.02 0.00 0.00 56.01 56.43 2ww3 n LEU 739 Cb 0.41 -0.51 -0.15 0.00 -1.62 0.00 0.00 43.42 41.55 2ww3 n LEU 739 CO 0.41 -0.29 -0.92 0.59 -1.22 0.00 0.00 177.39 175.97 2ww3 n ASN 740 N -1.54 0.43 -4.71 -1.43 3.02 -1.26 -4.86 115.26 104.90 2ww3 n ASN 740 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 2ww3 n ASN 740 Cb 0.16 1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 40.74 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 -2.93 4.53 0.00 3.52 3.52 -1.16 -3.89 118.95 122.54 2ww3 s ARG 741 Ca -0.08 1.57 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 2ww3 s ARG 741 Cb 0.09 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 2ww3 s ARG 741 CO 0.80 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.61 2ww3 n GLY 742 N 2.89 0.48 0.55 8.12 0.00 -1.24 -4.76 105.19 111.22 2ww3 n GLY 742 Ca 0.06 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.01 0.00 -3.18 2.61 -2.24 -1.25 -4.63 114.28 102.58 2ww3 n THR 743 Ca 0.00 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 2ww3 n THR 743 Cb 0.08 1.28 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 -2.43 3.99 0.46 -0.78 1.02 -1.26 -4.86 119.74 115.88 2ww3 s LYS 744 Ca 0.19 0.62 0.18 0.00 0.02 0.00 0.00 55.97 56.98 2ww3 s LYS 744 Cb 0.18 -2.49 1.15 0.00 -0.52 0.00 0.00 37.83 36.15 2ww3 s LYS 744 CO 0.54 0.20 1.96 1.49 -0.92 0.00 0.00 175.35 178.62 2ww3 h GLU 745 N 2.37 0.28 0.00 1.68 4.22 -1.99 0.37 114.58 121.51 2ww3 h GLU 745 Ca -0.48 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.95 2ww3 h GLU 745 Cb 1.17 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2ww3 h GLU 745 CO 0.66 0.18 -0.19 -0.85 -2.18 0.00 0.00 179.01 176.63 2ww3 n GLU 746 N -4.45 0.03 0.00 1.92 0.28 -1.26 -2.77 120.64 114.39 2ww3 n GLU 746 Ca 0.11 0.02 0.14 0.00 -0.16 0.00 0.00 57.16 57.27 2ww3 n GLU 746 Cb 0.50 -1.52 0.67 0.00 1.43 0.00 0.00 31.44 32.52 2ww3 n GLU 746 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ww3 n ASP 747 N -1.57 0.03 -4.80 -1.84 8.00 0.12 -4.87 116.55 111.62 2ww3 n ASP 747 Ca 0.06 0.17 -0.39 0.00 0.71 0.00 0.00 54.79 55.34 2ww3 n ASP 747 Cb 0.35 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.80 4.36 1.31 -1.24 -1.94 -1.12 -0.12 119.30 117.75 2ww3 s MET 748 Ca 0.21 0.92 -0.22 0.00 -1.71 0.00 0.00 55.69 54.89 2ww3 s MET 748 Cb 0.20 -3.20 0.33 0.00 2.01 0.00 0.00 34.83 34.16 2ww3 s MET 748 CO 0.50 0.58 1.05 -2.14 -0.01 0.00 0.00 175.02 175.01 2ww3 s PRO 749 N -1.24 -2.07 0.33 2.03 0.02 -1.26 -4.92 135.00 127.88 2ww3 s PRO 749 Ca 0.34 -0.12 -0.29 0.00 0.02 0.00 0.00 61.00 60.95 2ww3 s PRO 749 Cb -0.21 -1.50 -0.10 0.00 0.02 0.00 0.00 34.50 32.71 2ww3 s PRO 749 CO 0.22 -4.26 1.33 -0.47 -0.33 0.00 0.00 177.00 173.49 2ww3 s TYR 750 N -2.78 3.01 -0.02 6.54 5.04 -1.26 -5.04 117.35 122.85 2ww3 s TYR 750 Ca 0.71 1.37 0.01 0.00 -2.44 0.00 0.00 57.07 56.73 2ww3 s TYR 750 Cb -0.09 -3.71 0.01 0.00 0.35 0.00 0.00 41.96 38.52 2ww3 s TYR 750 CO 0.56 -1.99 -0.04 -1.12 -1.34 0.00 0.00 175.55 171.63 2ww3 s SER 751 N -0.40 0.60 0.27 4.32 0.01 -1.26 -4.63 113.70 112.61 2ww3 s SER 751 Ca 0.50 -0.08 -0.00 0.00 1.31 0.00 0.00 55.95 57.67 2ww3 s SER 751 Cb -0.40 -0.16 0.52 0.00 0.21 0.00 0.00 66.02 66.19 2ww3 s SER 751 CO 0.53 0.01 1.81 0.15 0.41 0.00 0.00 173.24 176.15 2ww3 h PHE 752 N 6.45 0.99 0.00 2.43 3.57 -0.66 -1.88 116.94 127.84 2ww3 h PHE 752 Ca -0.32 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.20 2ww3 h PHE 752 Cb 1.17 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 2ww3 h PHE 752 CO 0.44 0.36 -0.02 0.66 -2.23 0.00 0.00 178.31 177.52 2ww3 h SER 753 N 0.85 0.00 0.17 0.41 4.64 -1.93 -0.98 113.55 116.71 2ww3 h SER 753 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 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 -0.29 0.02 -0.39 0.29 -0.87 0.00 0.00 176.83 175.59 2ww3 n LYS 754 N -3.18 0.82 0.00 4.77 5.02 -0.71 -5.07 118.16 119.81 2ww3 n LYS 754 Ca -0.02 -0.57 0.13 0.00 -2.02 0.00 0.00 58.31 55.84 2ww3 n LYS 754 Cb 0.17 -1.49 0.35 0.00 -0.02 0.00 0.00 35.03 34.04 2ww3 n LYS 754 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97