#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 6.77 -0.01 3.14 2.15 -1.26 -4.94 116.67 122.52 2ww3 s ASP 21 Ca 0.00 0.92 0.12 0.00 0.43 0.00 0.00 52.55 54.01 2ww3 s ASP 21 Cb 0.00 -2.30 -0.16 0.00 -0.30 0.00 0.00 42.92 40.16 2ww3 s ASP 21 CO 0.00 0.08 0.32 0.79 -0.17 0.00 0.00 175.17 176.20 2ww3 n TRP 22 N 3.13 0.00 0.25 -5.34 8.01 -1.26 -4.51 117.44 117.72 2ww3 n TRP 22 Ca -0.08 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.29 2ww3 n TRP 22 Cb 0.52 -0.19 0.90 0.00 -2.01 0.00 0.00 31.31 30.53 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 0.32 0.00 -0.99 1.35 -1.92 -2.04 112.91 109.63 2ww3 h THR 23 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 2ww3 h THR 23 Cb 0.45 0.85 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2ww3 h THR 23 CO 0.00 0.00 -0.04 0.06 -0.25 0.00 0.00 175.52 175.29 2ww3 h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.01 -1.79 115.11 119.09 2ww3 h GLN 24 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.79 2ww3 h GLN 24 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.96 2ww3 h GLN 24 CO -0.00 0.04 -0.36 1.88 0.09 0.00 0.00 178.83 180.48 2ww3 h TYR 25 N 0.00 0.00 -3.16 0.06 0.05 -1.70 -3.46 116.97 108.76 2ww3 h TYR 25 Ca -0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 2ww3 h TYR 25 Cb 0.09 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 2ww3 h TYR 25 CO 0.00 0.00 0.69 0.08 -1.05 0.00 0.00 178.16 177.88 2ww3 s VAL 26 N -3.15 4.73 -0.40 -2.88 1.01 -0.68 -4.23 120.40 114.81 2ww3 s VAL 26 Ca 0.08 2.03 -0.05 0.00 0.00 0.00 0.00 61.98 64.05 2ww3 s VAL 26 Cb 0.13 -4.31 0.09 0.00 0.00 0.00 0.00 36.38 32.29 2ww3 s VAL 26 CO 0.67 -0.09 0.19 0.21 0.00 0.00 0.00 175.10 176.08 2ww3 s ASN 27 N 1.16 5.32 0.03 3.32 2.47 -1.26 -4.79 114.94 121.18 2ww3 s ASN 27 Ca 0.46 -1.76 0.17 0.00 0.42 0.00 0.00 52.86 52.15 2ww3 s ASN 27 Cb -0.17 -1.86 0.72 0.00 -1.45 0.00 0.00 41.25 38.49 2ww3 s ASN 27 CO 0.12 -0.50 1.54 -2.65 -3.72 0.00 0.00 177.10 171.88 2ww3 n PRO 28 N 4.70 0.02 0.00 0.43 -0.02 -1.26 -2.10 135.00 136.77 2ww3 n PRO 28 Ca -0.06 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2ww3 n PRO 28 Cb 0.42 -1.55 0.44 0.00 -0.02 0.00 0.00 33.50 32.80 2ww3 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww3 n LEU 29 N -1.59 1.16 -4.61 2.45 4.77 -1.26 -3.52 117.00 114.40 2ww3 n LEU 29 Ca 0.04 -0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.26 2ww3 n LEU 29 Cb 0.20 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2ww3 n LEU 29 CO 0.16 0.21 1.56 -0.32 -1.33 0.00 0.00 177.39 177.67 2ww3 s MET 30 N -2.32 3.45 0.00 3.23 1.75 -0.89 -1.44 119.30 123.07 2ww3 s MET 30 Ca 0.29 1.67 0.00 0.00 -1.25 0.00 0.00 55.69 56.41 2ww3 s MET 30 Cb 0.20 -4.19 0.00 0.00 2.84 0.00 0.00 34.83 33.68 2ww3 s MET 30 CO 0.45 -1.73 0.00 0.41 -0.65 0.00 0.00 175.02 173.51 2ww3 n GLY 31 N 5.27 0.76 0.16 2.11 0.00 0.25 -4.75 105.19 109.00 2ww3 n GLY 31 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 2ww3 n GLY 31 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ww3 h SER 32 N 0.00 0.00 -0.71 1.61 4.64 -0.40 -1.60 113.55 117.09 2ww3 h SER 32 Ca 0.00 -0.02 -0.73 0.00 -0.47 0.00 0.00 61.79 60.57 2ww3 h SER 32 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 2ww3 h SER 32 CO 0.00 0.01 2.65 1.67 -0.87 0.00 0.00 176.83 180.30 2ww3 n GLN 33 N -2.72 3.44 -4.64 4.77 7.27 -0.84 -1.47 117.38 123.19 2ww3 n GLN 33 Ca 0.04 -3.05 -0.23 0.00 0.07 0.00 0.00 57.00 53.83 2ww3 n GLN 33 Cb 0.50 -3.02 -0.15 0.00 2.41 0.00 0.00 30.24 29.98 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 1.79 1.91 0.38 1.69 0.01 -1.26 -4.42 113.70 113.79 2ww3 s SER 34 Ca 0.47 -0.36 0.06 0.00 1.31 0.00 0.00 55.95 57.43 2ww3 s SER 34 Cb 0.13 -0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 2ww3 s SER 34 CO -0.05 0.15 0.02 0.42 0.41 0.00 0.00 173.24 174.19 2ww3 s THR 35 N -0.55 1.75 0.23 1.44 -4.23 -0.66 -4.93 115.64 108.70 2ww3 s THR 35 Ca 0.05 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 2ww3 s THR 35 Cb -0.07 -2.90 0.19 0.00 1.34 0.00 0.00 72.50 71.07 2ww3 s THR 35 CO 0.00 -0.02 1.86 0.15 -0.54 0.00 0.00 174.62 176.07 2ww3 h PHE 36 N 1.91 0.97 -0.01 3.99 3.57 -2.02 -2.86 116.94 122.49 2ww3 h PHE 36 Ca -0.43 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 60.94 2ww3 h PHE 36 Cb 1.24 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2ww3 h PHE 36 CO 0.68 0.53 -0.73 0.93 -2.23 0.00 0.00 178.31 177.50 2ww3 h GLU 37 N 0.99 0.06 -2.33 1.11 3.07 -1.96 -3.40 114.58 112.13 2ww3 h GLU 37 Ca 0.34 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.96 2ww3 h GLU 37 Cb 0.07 0.01 -0.31 0.00 -0.84 0.00 0.00 28.75 27.68 2ww3 h GLU 37 CO -0.13 0.76 -0.49 -1.17 -1.40 0.00 0.00 179.01 176.58 2ww3 s LEU 38 N -7.46 -0.48 0.04 1.33 2.96 -1.08 -4.15 118.68 109.84 2ww3 s LEU 38 Ca -0.01 0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 54.08 2ww3 s LEU 38 Cb 0.12 0.96 -0.06 0.00 0.50 0.00 0.00 46.19 47.71 2ww3 s LEU 38 CO 0.79 -0.28 0.61 -0.55 -1.32 0.00 0.00 176.35 175.60 2ww3 s SER 39 N 2.50 7.06 -0.09 3.68 0.15 -1.24 -1.65 113.70 124.11 2ww3 s SER 39 Ca 0.06 1.25 0.12 0.00 0.70 0.00 0.00 55.95 58.09 2ww3 s SER 39 Cb -0.14 -2.38 0.27 0.00 -1.71 0.00 0.00 66.02 62.06 2ww3 s SER 39 CO -0.13 0.16 1.19 0.35 1.20 0.00 0.00 173.24 176.01 2ww3 n THR 40 N 2.30 1.61 0.00 6.45 -2.24 -1.26 -3.32 114.28 117.83 2ww3 n THR 40 Ca -0.08 -1.65 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 2ww3 n THR 40 Cb 0.51 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.66 0.74 3.84 3.38 0.00 -1.14 -0.49 105.19 110.86 2ww3 n GLY 41 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.69 -4.71 1.61 3.02 -0.97 -1.75 115.26 108.77 2ww3 n ASN 42 Ca 0.00 -1.08 -0.24 0.00 -0.03 0.00 0.00 54.58 53.23 2ww3 n ASN 42 Cb 0.00 -2.92 -0.08 0.00 -0.61 0.00 0.00 39.78 36.17 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 -3.62 2.52 0.22 3.41 -4.23 -0.64 -4.57 115.64 108.72 2ww3 s THR 43 Ca 0.35 -1.77 0.06 0.00 -1.18 0.00 0.00 61.69 59.14 2ww3 s THR 43 Cb -0.14 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 2ww3 s THR 43 CO 0.89 -0.09 -0.08 -0.72 -0.54 0.00 0.00 174.62 174.09 2ww3 s TYR 44 N -2.55 1.67 -0.51 3.99 1.13 -1.26 -4.11 117.35 115.71 2ww3 s TYR 44 Ca 0.39 -0.73 -0.27 0.00 -1.41 0.00 0.00 57.07 55.05 2ww3 s TYR 44 Cb 0.02 -0.89 -0.03 0.00 -1.10 0.00 0.00 41.96 39.96 2ww3 s TYR 44 CO 0.22 0.19 1.93 -2.14 -2.51 0.00 0.00 175.55 173.23 2ww3 s PRO 45 N -3.74 2.74 -0.73 -3.49 0.02 -1.23 -4.90 135.00 123.67 2ww3 s PRO 45 Ca 0.25 0.97 -0.21 0.00 0.02 0.00 0.00 61.00 62.02 2ww3 s PRO 45 Cb 0.03 -4.37 0.09 0.00 0.02 0.00 0.00 34.50 30.27 2ww3 s PRO 45 CO 0.08 -2.57 0.99 0.00 -0.33 0.00 0.00 177.00 175.16 2ww3 s ALA 46 N 8.95 3.20 -0.30 -1.55 0.00 -1.26 -4.35 121.76 126.45 2ww3 s ALA 46 Ca 0.75 -2.14 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 2ww3 s ALA 46 Cb -0.16 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2ww3 s ALA 46 CO 0.25 -2.80 0.83 0.42 0.00 0.00 0.00 175.76 174.46 2ww3 s ILE 47 N 3.58 4.75 -0.06 0.00 -1.09 -0.30 -4.82 121.20 123.26 2ww3 s ILE 47 Ca 0.24 1.29 -0.32 0.00 -2.23 0.00 0.00 60.65 59.64 2ww3 s ILE 47 Cb -0.14 -4.19 0.13 0.00 -1.58 0.00 0.00 42.46 36.68 2ww3 s ILE 47 CO 0.04 -0.27 1.32 0.00 -1.23 0.00 0.00 174.94 174.80 2ww3 s ALA 48 N 3.05 -2.28 0.39 9.38 0.00 0.00 -1.83 121.76 130.48 2ww3 s ALA 48 Ca 0.34 0.90 -0.06 0.00 0.00 0.00 0.00 51.96 53.14 2ww3 s ALA 48 Cb -0.14 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 2ww3 s ALA 48 CO 0.13 -0.99 0.70 1.03 0.00 0.00 0.00 175.76 176.62 2ww3 s ARG 49 N -2.32 3.64 -0.04 0.00 1.81 -1.26 -4.50 118.95 116.27 2ww3 s ARG 49 Ca 0.14 0.18 -0.37 0.00 -1.72 0.00 0.00 55.73 53.96 2ww3 s ARG 49 Cb 0.05 -2.48 -0.16 0.00 -0.45 0.00 0.00 34.95 31.91 2ww3 s ARG 49 CO -0.05 -0.00 1.54 -2.30 -0.68 0.00 0.00 175.30 173.81 2ww3 n PRO 50 N -1.54 1.31 -3.24 3.54 -0.02 -1.26 -0.31 135.00 133.48 2ww3 n PRO 50 Ca 0.00 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 2ww3 n PRO 50 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 3.85 -1.78 -1.44 6.00 8.01 0.32 -4.91 117.44 127.49 2ww3 n TRP 51 Ca 0.21 0.44 -0.36 0.00 -1.31 0.00 0.00 57.50 56.48 2ww3 n TRP 51 Cb 0.19 -3.13 0.07 0.00 -2.01 0.00 0.00 31.31 26.43 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 -1.19 -0.56 0.22 6.99 0.00 0.58 -0.93 105.19 110.30 2ww3 n GLY 52 Ca -0.04 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.02 0.72 -5.15 1.61 4.05 -0.99 -3.33 114.93 111.82 2ww3 h MET 53 Ca -0.48 -0.53 -0.65 0.00 -0.28 0.00 0.00 59.70 57.77 2ww3 h MET 53 Cb 1.35 0.09 -0.33 0.00 -0.80 0.00 0.00 31.60 31.91 2ww3 h MET 53 CO 0.48 1.15 -0.86 -0.80 0.23 0.00 0.00 176.91 177.10 2ww3 s ASN 54 N -7.02 2.84 0.12 1.39 0.01 -0.87 -4.89 114.94 106.51 2ww3 s ASN 54 Ca -0.09 -0.52 0.02 0.00 -0.71 0.00 0.00 52.86 51.56 2ww3 s ASN 54 Cb 0.10 -1.30 -0.04 0.00 0.41 0.00 0.00 41.25 40.42 2ww3 s ASN 54 CO 0.88 0.12 0.22 -0.36 -1.51 0.00 0.00 177.10 176.44 2ww3 s PHE 55 N 0.52 3.40 -0.01 2.20 0.08 -1.03 -4.74 117.98 118.40 2ww3 s PHE 55 Ca -0.15 0.13 0.05 0.00 0.12 0.00 0.00 56.93 57.07 2ww3 s PHE 55 Cb -0.17 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 2ww3 s PHE 55 CO 0.06 0.54 -0.16 -1.58 -0.10 0.00 0.00 175.22 173.97 2ww3 s TRP 56 N -1.64 1.47 -0.02 0.36 0.52 -0.76 -0.61 118.94 118.27 2ww3 s TRP 56 Ca 0.33 -0.28 -0.10 0.00 0.02 0.00 0.00 56.10 56.08 2ww3 s TRP 56 Cb -0.12 -0.94 0.01 0.00 -1.15 0.00 0.00 33.47 31.27 2ww3 s TRP 56 CO 0.27 -0.02 0.21 -0.08 0.02 0.00 0.00 176.95 177.34 2ww3 s THR 57 N -0.40 0.06 0.48 2.01 -1.32 -0.41 -1.15 115.64 114.92 2ww3 s THR 57 Ca 0.06 -0.52 -0.24 0.00 -1.21 0.00 0.00 61.69 59.79 2ww3 s THR 57 Cb -0.06 -0.48 -0.07 0.00 -1.51 0.00 0.00 72.50 70.38 2ww3 s THR 57 CO -0.01 -0.29 1.33 -2.16 -2.21 0.00 0.00 174.62 171.29 2ww3 s PRO 58 N -1.15 3.57 -0.23 7.08 0.04 -1.26 -0.85 135.00 142.19 2ww3 s PRO 58 Ca -0.12 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.11 2ww3 s PRO 58 Cb -0.06 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 32.03 2ww3 s PRO 58 CO 0.02 -0.83 -0.14 -1.14 0.04 0.00 0.00 177.00 174.95 2ww3 s GLN 59 N -2.61 2.61 -0.19 4.56 0.74 0.18 -4.58 119.66 120.37 2ww3 s GLN 59 Ca 0.64 -1.10 0.17 0.00 0.05 0.00 0.00 55.36 55.13 2ww3 s GLN 59 Cb -0.39 -2.78 -0.24 0.00 1.10 0.00 0.00 33.01 30.71 2ww3 s GLN 59 CO 0.48 -0.41 0.07 0.25 -0.55 0.00 0.00 175.29 175.13 2ww3 n THR 60 N 4.54 1.33 -2.10 -0.34 -2.24 0.12 -0.98 114.28 114.61 2ww3 n THR 60 Ca -0.17 -0.82 -0.32 0.00 -2.27 0.00 0.00 64.05 60.47 2ww3 n THR 60 Cb 0.46 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.19 2ww3 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww3 s GLY 61 N -5.38 1.91 0.61 3.38 0.00 -0.36 -4.79 107.32 102.70 2ww3 s GLY 61 Ca -0.10 0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.58 2ww3 s GLY 61 CO 0.79 0.41 1.12 0.54 0.00 0.00 0.00 173.10 175.96 2ww3 s LYS 62 N -4.50 3.01 0.13 2.90 1.02 -1.26 -4.90 119.74 116.13 2ww3 s LYS 62 Ca 0.58 1.48 -0.34 0.00 0.02 0.00 0.00 55.97 57.71 2ww3 s LYS 62 Cb -0.12 -1.97 -0.17 0.00 -0.52 0.00 0.00 37.83 35.05 2ww3 s LYS 62 CO 0.41 -1.10 1.06 -0.12 -0.92 0.00 0.00 175.35 174.68 2ww3 n MET 63 N -1.99 0.70 0.00 1.68 0.00 -1.26 -1.47 117.12 114.77 2ww3 n MET 63 Ca 0.11 0.25 0.00 0.00 -0.00 0.00 0.00 57.70 58.06 2ww3 n MET 63 Cb 0.52 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.05 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 1.93 2.31 3.70 -5.12 0.00 -1.26 -5.02 105.19 101.73 2ww3 n GLY 64 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.91 7.07 0.55 1.61 -1.08 -0.55 -4.89 116.67 116.48 2ww3 s ASP 65 Ca 0.00 1.92 0.28 0.00 -0.52 0.00 0.00 52.55 54.23 2ww3 s ASP 65 Cb 0.00 -2.57 1.60 0.00 -1.46 0.00 0.00 42.92 40.49 2ww3 s ASP 65 CO 0.00 -0.52 2.15 1.23 0.52 0.00 0.00 175.17 178.55 2ww3 h GLY 66 N 7.46 0.00 -6.29 2.66 0.00 -1.90 -3.11 103.07 101.88 2ww3 h GLY 66 Ca -0.38 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.22 2ww3 h GLY 66 CO 0.84 0.00 2.57 0.79 0.00 0.00 0.00 176.54 180.74 2ww3 n TRP 67 N -3.73 3.33 0.15 5.60 8.01 -1.26 -4.38 117.44 125.17 2ww3 n TRP 67 Ca -0.02 -2.90 0.01 0.00 -1.31 0.00 0.00 57.50 53.28 2ww3 n TRP 67 Cb 0.17 -2.28 0.20 0.00 -2.01 0.00 0.00 31.31 27.39 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 5.95 0.00 -4.06 -0.99 3.07 -1.90 -3.33 115.11 113.85 2ww3 h GLN 68 Ca 0.48 0.00 -0.46 0.00 0.09 0.00 0.00 58.65 58.76 2ww3 h GLN 68 Cb 0.65 0.00 -0.36 0.00 0.08 0.00 0.00 27.48 27.85 2ww3 h GLN 68 CO 1.75 0.55 -0.78 -0.47 0.09 0.00 0.00 178.83 179.96 2ww3 s TYR 69 N -3.46 1.00 0.01 0.06 5.04 -1.26 0.14 117.35 118.88 2ww3 s TYR 69 Ca -0.00 -0.37 0.06 0.00 -2.44 0.00 0.00 57.07 54.32 2ww3 s TYR 69 Cb 0.11 -0.89 -0.02 0.00 0.35 0.00 0.00 41.96 41.51 2ww3 s TYR 69 CO 0.74 -0.31 -0.19 0.95 -1.34 0.00 0.00 175.55 175.39 2ww3 s THR 70 N 1.34 1.48 0.44 4.34 -4.23 -1.26 -4.75 115.64 113.00 2ww3 s THR 70 Ca -0.04 -0.94 0.15 0.00 -1.18 0.00 0.00 61.69 59.68 2ww3 s THR 70 Cb -0.14 -1.26 0.18 0.00 1.34 0.00 0.00 72.50 72.62 2ww3 s THR 70 CO -0.03 0.30 1.99 0.22 -0.54 0.00 0.00 174.62 176.56 2ww3 h TYR 71 N 5.34 0.00 -0.03 3.99 5.03 -1.61 -2.16 116.97 127.52 2ww3 h TYR 71 Ca -0.39 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.92 2ww3 h TYR 71 Cb 1.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.43 2ww3 h TYR 71 CO 0.44 0.19 0.00 0.25 -1.32 0.00 0.00 178.16 177.72 2ww3 n THR 72 N -4.30 0.03 -2.08 1.81 -2.24 -1.26 -4.90 114.28 101.34 2ww3 n THR 72 Ca -0.02 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 2ww3 n THR 72 Cb 0.25 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.97 3.52 0.02 6.98 0.00 -0.82 -4.93 121.76 124.56 2ww3 s ALA 73 Ca 0.38 1.29 0.10 0.00 0.00 0.00 0.00 51.96 53.73 2ww3 s ALA 73 Cb 0.20 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 2ww3 s ALA 73 CO 0.33 -0.68 1.23 -0.91 0.00 0.00 0.00 175.76 175.72 2ww3 h ASN 74 N 3.60 0.00 -4.45 0.00 2.35 -1.90 -3.48 115.58 111.70 2ww3 h ASN 74 Ca -0.49 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 54.85 2ww3 h ASN 74 Cb 1.23 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 39.37 2ww3 h ASN 74 CO 0.67 0.86 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.99 2ww3 s LYS 75 N -2.77 0.84 -0.04 0.81 1.02 -1.26 -1.84 119.74 116.49 2ww3 s LYS 75 Ca 0.01 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 2ww3 s LYS 75 Cb 0.09 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 2ww3 s LYS 75 CO 0.80 0.19 0.02 0.42 -0.92 0.00 0.00 175.35 175.87 2ww3 s ILE 76 N -1.18 4.40 0.00 2.17 1.01 0.17 -4.36 121.20 123.40 2ww3 s ILE 76 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2ww3 s ILE 76 Cb -0.10 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.45 2ww3 s ILE 76 CO 0.02 0.47 0.20 -2.11 0.00 0.00 0.00 174.94 173.52 2ww3 n ARG 77 N 1.66 0.69 -3.76 2.79 1.85 -0.15 0.12 116.66 119.87 2ww3 n ARG 77 Ca -0.16 -0.20 0.02 0.00 -1.00 0.00 0.00 57.85 56.51 2ww3 n ARG 77 Cb 0.53 -0.64 0.00 0.00 -1.05 0.00 0.00 32.46 31.30 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 -0.16 -0.30 -0.21 2.89 0.00 -1.20 -4.74 107.32 103.60 2ww3 s GLY 78 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 44.72 45.16 2ww3 s GLY 78 CO 0.00 2.20 -0.13 -1.36 0.00 0.00 0.00 173.10 173.81 2ww3 s PHE 79 N -2.24 2.92 -0.10 1.90 0.40 0.12 -0.65 117.98 120.33 2ww3 s PHE 79 Ca 0.20 -1.50 0.04 0.00 -0.60 0.00 0.00 56.93 55.07 2ww3 s PHE 79 Cb 0.03 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.56 2ww3 s PHE 79 CO -0.03 -0.73 -0.23 0.21 0.70 0.00 0.00 175.22 175.14 2ww3 s LYS 80 N 1.33 3.06 0.06 0.44 2.20 -0.03 -1.24 119.74 125.56 2ww3 s LYS 80 Ca 0.03 -0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 54.47 2ww3 s LYS 80 Cb -0.15 -2.32 -0.06 0.00 -1.51 0.00 0.00 37.83 33.80 2ww3 s LYS 80 CO -0.08 0.19 1.21 -1.14 -0.36 0.00 0.00 175.35 175.17 2ww3 s GLN 81 N 0.32 4.42 0.04 4.03 0.74 -0.24 -1.28 119.66 127.70 2ww3 s GLN 81 Ca -0.18 1.79 -0.01 0.00 0.05 0.00 0.00 55.36 57.01 2ww3 s GLN 81 Cb -0.18 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 2ww3 s GLN 81 CO 0.09 -0.27 -0.02 -0.08 -0.55 0.00 0.00 175.29 174.45 2ww3 s THR 82 N 1.09 0.19 -0.01 -0.34 -1.32 0.22 -3.45 115.64 112.03 2ww3 s THR 82 Ca 0.59 -1.59 0.01 0.00 -1.21 0.00 0.00 61.69 59.50 2ww3 s THR 82 Cb -0.30 -1.23 0.02 0.00 -1.51 0.00 0.00 72.50 69.48 2ww3 s THR 82 CO 0.29 -0.88 0.84 1.41 -2.21 0.00 0.00 174.62 174.08 2ww3 n HIS 83 N 0.44 0.00 -1.94 9.09 8.25 -1.24 -2.47 115.22 127.34 2ww3 n HIS 83 Ca -0.16 -0.35 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 2ww3 n HIS 83 Cb 0.60 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 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 -0.76 4.22 0.03 -0.41 0.74 -1.26 -4.86 119.66 117.36 2ww3 s GLN 84 Ca 0.02 2.36 0.19 0.00 0.05 0.00 0.00 55.36 57.99 2ww3 s GLN 84 Cb 0.02 -3.13 -0.17 0.00 1.10 0.00 0.00 33.01 30.83 2ww3 s GLN 84 CO 0.00 -0.56 0.68 -0.35 -0.55 0.00 0.00 175.29 174.51 2ww3 n PRO 85 N 3.37 0.64 -3.50 1.67 -0.04 -1.26 -5.00 135.00 130.87 2ww3 n PRO 85 Ca 0.11 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.56 2ww3 n PRO 85 Cb 0.39 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 2ww3 n PRO 85 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ww3 s SER 86 N -5.37 -0.38 0.45 3.54 1.04 -1.26 -4.50 113.70 107.22 2ww3 s SER 86 Ca -0.05 0.03 0.31 0.00 0.48 0.00 0.00 55.95 56.72 2ww3 s SER 86 Cb 0.10 0.39 1.43 0.00 0.10 0.00 0.00 66.02 68.04 2ww3 s SER 86 CO 0.83 -0.62 1.93 1.55 0.98 0.00 0.00 173.24 177.91 2ww3 h PRO 87 N 2.04 0.00 0.07 4.02 0.13 -1.81 -0.46 132.00 135.99 2ww3 h PRO 87 Ca -0.22 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.74 2ww3 h PRO 87 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ww3 h PRO 87 CO 0.31 0.00 -0.86 -1.49 -0.23 0.00 0.00 178.00 175.73 2ww3 h TRP 88 N 0.00 0.25 -0.04 1.56 4.06 -1.95 -3.33 115.95 116.50 2ww3 h TRP 88 Ca 0.00 -0.18 -0.15 0.00 2.06 0.00 0.00 58.89 60.61 2ww3 h TRP 88 Cb 0.28 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 2ww3 h TRP 88 CO 0.00 1.33 -0.67 0.82 -3.56 0.00 0.00 178.44 176.36 2ww3 h ILE 89 N -0.65 1.43 -0.71 1.49 1.08 -1.94 -3.49 117.51 114.72 2ww3 h ILE 89 Ca -0.19 -2.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 2ww3 h ILE 89 Cb 1.43 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 37.33 2ww3 h ILE 89 CO 0.01 0.64 0.00 -3.20 -0.69 0.00 0.00 178.15 174.90 2ww3 n ASN 90 N -3.80 -2.14 -4.69 1.72 2.85 -0.19 -4.85 115.26 104.16 2ww3 n ASN 90 Ca -0.02 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.21 2ww3 n ASN 90 Cb 0.66 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.61 2ww3 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww3 s ASP 91 N -4.00 4.41 0.18 1.20 -1.08 -1.26 -4.24 116.67 111.87 2ww3 s ASP 91 Ca 0.00 -0.93 -0.23 0.00 -0.52 0.00 0.00 52.55 50.87 2ww3 s ASP 91 Cb 0.00 -0.60 0.05 0.00 -1.46 0.00 0.00 42.92 40.92 2ww3 s ASP 91 CO 0.00 -0.31 0.78 -0.72 0.52 0.00 0.00 175.17 175.44 2ww3 s TYR 92 N -2.50 -0.27 -1.06 -5.34 1.13 -1.26 -2.44 117.35 105.61 2ww3 s TYR 92 Ca 0.37 -0.05 -0.15 0.00 -1.41 0.00 0.00 57.07 55.83 2ww3 s TYR 92 Cb -0.00 0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 41.47 2ww3 s TYR 92 CO 0.21 -0.96 0.80 0.41 -2.51 0.00 0.00 175.55 173.51 2ww3 n GLY 93 N -0.42 -1.08 2.93 5.49 0.00 -1.25 -3.70 105.19 107.17 2ww3 n GLY 93 Ca -0.08 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 -5.31 1.17 0.18 1.61 -2.07 -1.26 -4.41 119.66 109.57 2ww3 s GLN 94 Ca 0.40 -0.21 -0.09 0.00 -1.82 0.00 0.00 55.36 53.65 2ww3 s GLN 94 Cb -0.12 -1.11 -0.01 0.00 -1.09 0.00 0.00 33.01 30.67 2ww3 s GLN 94 CO 0.83 -0.08 0.30 -0.59 -1.32 0.00 0.00 175.29 174.42 2ww3 s PHE 95 N 1.00 0.46 0.22 9.60 -0.71 -1.22 -4.54 117.98 122.79 2ww3 s PHE 95 Ca -0.09 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 54.99 2ww3 s PHE 95 Cb -0.14 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.56 2ww3 s PHE 95 CO -0.00 -0.75 0.10 -1.54 -1.34 0.00 0.00 175.22 171.69 2ww3 s SER 96 N -2.99 0.62 0.07 1.98 1.04 -0.12 -1.08 113.70 113.22 2ww3 s SER 96 Ca 0.20 -1.36 0.03 0.00 0.48 0.00 0.00 55.95 55.29 2ww3 s SER 96 Cb 0.03 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2ww3 s SER 96 CO 0.02 -0.77 -0.09 -0.51 0.98 0.00 0.00 173.24 172.87 2ww3 s ILE 97 N -3.97 0.74 -0.30 -1.02 2.07 -0.37 -0.36 121.20 117.99 2ww3 s ILE 97 Ca 0.37 -1.48 -0.08 0.00 -1.41 0.00 0.00 60.65 58.05 2ww3 s ILE 97 Cb 0.07 -1.14 0.15 0.00 0.13 0.00 0.00 42.46 41.67 2ww3 s ILE 97 CO 0.11 -0.55 0.65 -0.32 -1.91 0.00 0.00 174.94 172.93 2ww3 s MET 98 N -2.53 0.57 0.42 3.50 -2.45 -0.40 0.16 119.30 118.57 2ww3 s MET 98 Ca 0.01 1.32 -0.21 0.00 -1.25 0.00 0.00 55.69 55.56 2ww3 s MET 98 Cb -0.04 0.79 -0.11 0.00 1.25 0.00 0.00 34.83 36.72 2ww3 s MET 98 CO -0.01 -0.30 0.95 -1.25 1.05 0.00 0.00 175.02 175.47 2ww3 s PRO 99 N 2.88 4.24 0.25 4.11 0.04 -1.26 -0.22 135.00 145.04 2ww3 s PRO 99 Ca 0.00 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.02 2ww3 s PRO 99 Cb -0.13 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.20 2ww3 s PRO 99 CO -0.19 -0.02 0.57 0.96 0.04 0.00 0.00 177.00 178.35 2ww3 s ILE 100 N -2.13 0.00 0.08 0.56 -4.36 -0.29 -4.94 121.20 110.12 2ww3 s ILE 100 Ca 0.61 -1.18 -0.00 0.00 -0.26 0.00 0.00 60.65 59.82 2ww3 s ILE 100 Cb -0.10 -2.05 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 2ww3 s ILE 100 CO 0.14 -0.02 -0.03 0.68 0.24 0.00 0.00 174.94 175.96 2ww3 s VAL 101 N -3.96 0.33 0.00 8.37 -7.23 -1.26 -1.15 120.40 115.50 2ww3 s VAL 101 Ca 0.17 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 2ww3 s VAL 101 Cb -0.03 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2ww3 s VAL 101 CO 0.07 -0.88 0.00 0.61 -0.31 0.00 0.00 175.10 174.58 2ww3 n GLY 102 N 0.04 1.03 3.91 2.32 0.00 -0.64 -4.97 105.19 106.88 2ww3 n GLY 102 Ca -0.12 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 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 3.46 -0.81 1.61 -1.52 -1.26 -4.80 119.66 116.34 2ww3 s GLN 103 Ca 0.00 -0.33 -0.25 0.00 -1.95 0.00 0.00 55.36 52.83 2ww3 s GLN 103 Cb 0.00 -3.07 0.01 0.00 -0.22 0.00 0.00 33.01 29.73 2ww3 s GLN 103 CO 0.00 0.65 1.56 -1.25 -0.25 0.00 0.00 175.29 175.99 2ww3 s PRO 104 N -2.12 3.07 -0.07 2.91 0.04 -1.26 -4.96 135.00 132.61 2ww3 s PRO 104 Ca 0.30 -0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.07 2ww3 s PRO 104 Cb -0.13 -4.67 -0.02 0.00 0.04 0.00 0.00 34.50 29.72 2ww3 s PRO 104 CO 0.21 -2.49 -0.13 0.14 0.04 0.00 0.00 177.00 174.78 2ww3 s VAL 105 N 6.96 3.18 -0.13 -0.36 -7.23 -1.26 -5.01 120.40 116.55 2ww3 s VAL 105 Ca 0.50 -0.67 0.19 0.00 -1.81 0.00 0.00 61.98 60.20 2ww3 s VAL 105 Cb -0.07 -2.27 -0.28 0.00 0.56 0.00 0.00 36.38 34.32 2ww3 s VAL 105 CO 0.07 0.58 0.23 0.33 -0.31 0.00 0.00 175.10 176.00 2ww3 n PHE 106 N 2.54 0.00 -1.63 2.82 7.35 -1.26 -4.69 117.46 122.59 2ww3 n PHE 106 Ca -0.17 0.00 -0.50 0.00 -0.76 0.00 0.00 57.45 56.01 2ww3 n PHE 106 Cb 0.52 -0.80 -0.05 0.00 0.35 0.00 0.00 39.48 39.50 2ww3 n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ww3 n ASP 107 N -2.55 2.22 0.14 -2.13 -0.08 -1.26 -4.82 116.55 108.07 2ww3 n ASP 107 Ca -0.22 1.10 0.10 0.00 -1.51 0.00 0.00 54.79 54.26 2ww3 n ASP 107 Cb 0.93 -1.26 0.51 0.00 2.34 0.00 0.00 41.12 43.64 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 3.20 0.14 -0.10 -0.67 0.28 -1.26 -1.52 120.64 120.70 2ww3 n GLU 108 Ca 0.19 0.57 -0.20 0.00 -0.16 0.00 0.00 57.16 57.57 2ww3 n GLU 108 Cb 0.22 -1.89 -0.12 0.00 1.43 0.00 0.00 31.44 31.07 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 0.67 0.19 3.44 1.02 -1.26 -3.99 120.64 118.54 2ww3 n GLU 109 Ca -0.00 0.19 0.05 0.00 -0.02 0.00 0.00 57.16 57.37 2ww3 n GLU 109 Cb 0.07 -1.56 0.48 0.00 -0.02 0.00 0.00 31.44 30.41 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 -0.08 0.07 0.00 3.49 6.56 -1.81 -2.85 116.57 121.95 2ww3 h LYS 110 Ca -0.56 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.02 2ww3 h LYS 110 Cb 1.89 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.54 2ww3 h LYS 110 CO -0.08 0.23 -0.64 0.07 -2.06 0.00 0.00 179.45 176.96 2ww3 h ARG 111 N 0.07 0.00 -7.10 3.15 0.11 -1.48 -3.48 114.38 105.65 2ww3 h ARG 111 Ca 0.01 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.55 2ww3 h ARG 111 Cb 0.31 0.00 0.18 0.00 1.11 0.00 0.00 29.97 31.58 2ww3 h ARG 111 CO 0.02 0.00 0.22 0.00 0.10 0.00 0.00 179.97 180.31 2ww3 n ALA 112 N -2.02 -0.21 -2.76 0.08 0.00 -1.08 -4.94 120.51 109.58 2ww3 n ALA 112 Ca 0.02 -0.30 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 2ww3 n ALA 112 Cb 0.50 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.96 0.69 0.58 0.00 0.15 0.12 -4.94 113.70 108.34 2ww3 s SER 113 Ca 0.73 -0.16 -0.18 0.00 0.70 0.00 0.00 55.95 57.04 2ww3 s SER 113 Cb -0.30 -0.06 -0.07 0.00 -1.71 0.00 0.00 66.02 63.88 2ww3 s SER 113 CO 0.51 0.04 0.75 0.79 1.20 0.00 0.00 173.24 176.53 2ww3 n TRP 114 N 2.76 0.08 -3.98 3.44 7.02 -1.26 -0.66 117.44 124.85 2ww3 n TRP 114 Ca -0.14 0.44 -0.11 0.00 -1.02 0.00 0.00 57.50 56.67 2ww3 n TRP 114 Cb 0.58 -2.05 -0.03 0.00 -2.42 0.00 0.00 31.31 27.39 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 -1.61 0.52 0.07 -5.99 -0.71 -0.77 -1.77 117.98 107.72 2ww3 s PHE 115 Ca 0.72 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 55.71 2ww3 s PHE 115 Cb -0.43 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 2ww3 s PHE 115 CO 0.51 -1.20 -0.06 0.00 -1.34 0.00 0.00 175.22 173.13 2ww3 s ALA 116 N -3.27 0.77 0.37 1.99 0.00 -1.26 -4.82 121.76 115.54 2ww3 s ALA 116 Ca 0.23 -1.15 0.32 0.00 0.00 0.00 0.00 51.96 51.35 2ww3 s ALA 116 Cb -0.02 0.15 1.58 0.00 0.00 0.00 0.00 23.12 24.83 2ww3 s ALA 116 CO 0.13 -0.20 2.09 0.45 0.00 0.00 0.00 175.76 178.24 2ww3 h HIS 117 N 3.44 0.00 0.00 0.00 3.86 -1.95 0.29 115.15 120.79 2ww3 h HIS 117 Ca -0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2ww3 h HIS 117 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2ww3 h HIS 117 CO 0.60 0.08 0.00 1.63 0.86 0.00 0.00 177.93 181.09 2ww3 n LYS 118 N -3.40 0.19 -0.64 2.45 5.02 -1.26 -2.44 118.16 118.08 2ww3 n LYS 118 Ca -0.01 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.36 2ww3 n LYS 118 Cb 0.23 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.08 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 1.38 3.13 3.07 0.72 0.00 0.08 -4.97 105.19 108.60 2ww3 n GLY 119 Ca 0.10 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.30 1.03 -0.13 1.61 2.12 -1.02 -1.76 118.70 118.25 2ww3 s GLU 120 Ca 0.48 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.39 2ww3 s GLU 120 Cb 0.34 -0.98 0.02 0.00 0.26 0.00 0.00 34.13 33.77 2ww3 s GLU 120 CO 0.18 0.24 -0.13 0.08 -0.54 0.00 0.00 175.26 175.09 2ww3 s VAL 121 N -0.19 1.41 -0.15 3.70 1.01 0.42 -4.94 120.40 121.65 2ww3 s VAL 121 Ca 0.03 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2ww3 s VAL 121 Cb -0.06 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2ww3 s VAL 121 CO -0.00 0.43 -0.18 0.00 0.00 0.00 0.00 175.10 175.34 2ww3 s ALA 122 N 1.40 2.10 0.24 5.51 0.00 -1.26 -0.99 121.76 128.76 2ww3 s ALA 122 Ca 0.02 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2ww3 s ALA 122 Cb -0.13 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 2ww3 s ALA 122 CO -0.08 -0.24 0.02 0.95 0.00 0.00 0.00 175.76 176.42 2ww3 s THR 123 N 1.17 0.93 0.51 0.00 -4.23 -0.38 -4.52 115.64 109.11 2ww3 s THR 123 Ca 0.00 -2.02 0.30 0.00 -1.18 0.00 0.00 61.69 58.79 2ww3 s THR 123 Cb -0.14 -2.40 0.33 0.00 1.34 0.00 0.00 72.50 71.64 2ww3 s THR 123 CO -0.08 -0.27 2.18 1.55 -0.54 0.00 0.00 174.62 177.46 2ww3 h PRO 124 N 2.46 0.00 -0.01 3.99 0.13 -1.87 -3.16 132.00 133.54 2ww3 h PRO 124 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2ww3 h PRO 124 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ww3 h PRO 124 CO 0.64 0.06 -0.11 2.48 -0.23 0.00 0.00 178.00 180.84 2ww3 n TYR 125 N -3.68 0.00 -3.64 1.56 4.11 -1.26 -0.82 117.16 113.43 2ww3 n TYR 125 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.80 2ww3 n TYR 125 Cb 0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.43 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 -1.03 -0.78 -0.01 -3.48 5.04 -1.19 -4.19 117.35 111.71 2ww3 s TYR 126 Ca 0.08 1.66 0.02 0.00 -2.44 0.00 0.00 57.07 56.39 2ww3 s TYR 126 Cb 0.07 0.45 -0.00 0.00 0.35 0.00 0.00 41.96 42.82 2ww3 s TYR 126 CO 0.17 -0.38 -0.07 -0.47 -1.34 0.00 0.00 175.55 173.46 2ww3 s TYR 127 N 1.10 0.66 0.00 4.97 5.04 -0.57 -1.25 117.35 127.30 2ww3 s TYR 127 Ca -0.06 -0.13 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 2ww3 s TYR 127 Cb -0.05 -0.44 -0.01 0.00 0.35 0.00 0.00 41.96 41.82 2ww3 s TYR 127 CO -0.13 -0.03 0.01 0.21 -1.34 0.00 0.00 175.55 174.27 2ww3 s LYS 128 N -0.08 0.18 -0.16 4.97 2.20 -0.16 -0.90 119.74 125.79 2ww3 s LYS 128 Ca 0.01 -0.27 -0.23 0.00 -0.36 0.00 0.00 55.97 55.12 2ww3 s LYS 128 Cb -0.04 0.07 0.06 0.00 -1.51 0.00 0.00 37.83 36.41 2ww3 s LYS 128 CO -0.00 -0.03 0.61 0.54 -0.36 0.00 0.00 175.35 176.11 2ww3 s VAL 129 N -0.71 0.01 -0.26 4.02 0.11 -0.70 -0.44 120.40 122.42 2ww3 s VAL 129 Ca -0.08 -0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 58.78 2ww3 s VAL 129 Cb -0.05 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2ww3 s VAL 129 CO -0.00 -0.02 0.37 -0.47 -3.33 0.00 0.00 175.10 171.64 2ww3 s TYR 130 N -0.22 3.26 -0.81 1.54 5.04 -0.72 -1.40 117.35 124.03 2ww3 s TYR 130 Ca -0.04 0.42 -0.20 0.00 -2.44 0.00 0.00 57.07 54.81 2ww3 s TYR 130 Cb -0.03 -2.56 0.11 0.00 0.35 0.00 0.00 41.96 39.82 2ww3 s TYR 130 CO 0.04 -0.21 1.04 -0.51 -1.34 0.00 0.00 175.55 174.57 2ww3 s LEU 131 N 2.00 4.83 0.62 6.97 1.43 0.38 -4.58 118.68 130.33 2ww3 s LEU 131 Ca 0.15 -1.62 0.35 0.00 -1.03 0.00 0.00 54.13 51.98 2ww3 s LEU 131 Cb -0.16 -2.40 2.03 0.00 0.03 0.00 0.00 46.19 45.70 2ww3 s LEU 131 CO 0.10 -1.21 2.29 0.00 0.23 0.00 0.00 176.35 177.76 2ww3 h ALA 132 N 9.13 1.35 0.00 4.21 0.00 -1.64 -0.06 119.26 132.26 2ww3 h ALA 132 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ww3 h ALA 132 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ww3 h ALA 132 CO 1.14 -0.01 -0.54 0.93 0.00 0.00 0.00 179.25 180.77 2ww3 h GLU 133 N 0.00 0.00 -0.00 0.00 5.08 -1.91 -3.33 114.58 114.42 2ww3 h GLU 133 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ww3 h GLU 133 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2ww3 h GLU 133 CO -0.00 0.00 -0.10 0.72 -1.00 0.00 0.00 179.01 178.63 2ww3 n HIS 134 N -2.27 0.00 -3.68 4.33 8.25 -0.74 -4.96 115.22 116.15 2ww3 n HIS 134 Ca 0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.27 2ww3 n HIS 134 Cb 0.46 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.30 -1.93 -4.16 0.41 2.03 -0.11 -4.68 116.55 107.81 2ww3 n ASP 135 Ca 0.02 -0.77 -0.28 0.00 0.52 0.00 0.00 54.79 54.28 2ww3 n ASP 135 Cb 0.11 -4.24 -0.16 0.00 -0.72 0.00 0.00 41.12 36.12 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 -3.57 1.64 -0.06 5.18 1.01 -1.17 -3.53 121.20 120.70 2ww3 s ILE 136 Ca 0.10 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2ww3 s ILE 136 Cb -0.05 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 2ww3 s ILE 136 CO 0.80 0.47 0.44 -0.69 0.00 0.00 0.00 174.94 175.95 2ww3 s VAL 137 N 0.14 5.11 -0.07 2.92 1.01 -0.74 -0.47 120.40 128.30 2ww3 s VAL 137 Ca -0.08 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.83 2ww3 s VAL 137 Cb -0.14 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2ww3 s VAL 137 CO 0.04 0.44 -0.20 -0.89 0.00 0.00 0.00 175.10 174.49 2ww3 s THR 138 N -0.15 2.53 0.06 3.92 2.01 -0.50 -0.35 115.64 123.17 2ww3 s THR 138 Ca 0.24 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.40 2ww3 s THR 138 Cb -0.16 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 2ww3 s THR 138 CO 0.11 0.57 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.84 2ww3 s GLU 139 N -0.28 0.99 -0.15 4.92 2.02 -0.33 -1.72 118.70 124.15 2ww3 s GLU 139 Ca 0.01 -0.88 -0.15 0.00 0.02 0.00 0.00 54.97 53.97 2ww3 s GLU 139 Cb -0.13 -1.04 0.04 0.00 0.10 0.00 0.00 34.13 33.10 2ww3 s GLU 139 CO 0.03 0.25 0.42 0.00 0.02 0.00 0.00 175.26 175.98 2ww3 s MET 140 N -1.39 0.50 -0.13 1.61 0.23 -0.08 -1.50 119.30 118.54 2ww3 s MET 140 Ca 0.02 0.56 -0.03 0.00 -1.03 0.00 0.00 55.69 55.21 2ww3 s MET 140 Cb -0.09 0.24 0.05 0.00 -1.53 0.00 0.00 34.83 33.50 2ww3 s MET 140 CO 0.02 -0.06 0.04 0.95 -2.03 0.00 0.00 175.02 173.94 2ww3 s THR 141 N 0.16 0.22 0.28 3.16 -4.23 -0.67 -1.51 115.64 113.05 2ww3 s THR 141 Ca -0.01 -0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.33 2ww3 s THR 141 Cb -0.03 -0.63 -0.06 0.00 1.34 0.00 0.00 72.50 73.12 2ww3 s THR 141 CO 0.01 -0.04 0.57 -2.16 -0.54 0.00 0.00 174.62 172.46 2ww3 s PRO 142 N 2.01 3.71 0.00 3.99 0.04 -1.26 -1.43 135.00 142.06 2ww3 s PRO 142 Ca 0.02 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2ww3 s PRO 142 Cb -0.15 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2ww3 s PRO 142 CO -0.07 0.23 0.00 0.25 0.04 0.00 0.00 177.00 177.46 2ww3 n THR 143 N -0.66 0.00 -0.25 1.26 -2.24 0.20 -4.65 114.28 107.94 2ww3 n THR 143 Ca -0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2ww3 n THR 143 Cb 0.53 -0.86 0.05 0.00 -2.10 0.00 0.00 70.33 67.95 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 0.97 0.00 -0.78 5.08 -1.93 -3.35 114.58 114.56 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 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2ww3 h GLU 144 CO 0.00 0.72 0.00 0.54 -1.00 0.00 0.00 179.01 179.27 2ww3 n ARG 145 N -4.50 -0.12 -4.36 2.33 1.74 -1.26 -0.60 116.66 109.89 2ww3 n ARG 145 Ca 0.06 -0.32 -0.18 0.00 -0.77 0.00 0.00 57.85 56.64 2ww3 n ARG 145 Cb 0.09 -0.80 -0.10 0.00 -1.02 0.00 0.00 32.46 30.62 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 -0.07 1.94 -0.13 7.54 0.00 -1.26 -3.28 121.76 126.50 2ww3 s ALA 146 Ca 0.00 -1.90 -0.16 0.00 0.00 0.00 0.00 51.96 49.90 2ww3 s ALA 146 Cb 0.00 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.96 2ww3 s ALA 146 CO 0.00 -0.37 0.42 0.54 0.00 0.00 0.00 175.76 176.36 2ww3 s VAL 147 N -3.54 0.01 -0.17 0.00 0.11 0.18 0.58 120.40 117.56 2ww3 s VAL 147 Ca 0.35 -0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.25 2ww3 s VAL 147 Cb 0.08 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 2ww3 s VAL 147 CO 0.13 -0.05 0.06 -0.22 -3.33 0.00 0.00 175.10 171.70 2ww3 s LEU 148 N -0.13 3.84 0.03 2.54 2.96 -0.51 -0.28 118.68 127.14 2ww3 s LEU 148 Ca -0.03 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 2ww3 s LEU 148 Cb -0.03 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 2ww3 s LEU 148 CO 0.02 0.21 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.85 2ww3 s PHE 149 N 0.15 2.92 -0.10 5.38 0.40 0.25 -1.67 117.98 125.31 2ww3 s PHE 149 Ca 0.05 -0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.33 2ww3 s PHE 149 Cb -0.12 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 41.86 2ww3 s PHE 149 CO 0.01 0.42 -0.01 0.50 0.70 0.00 0.00 175.22 176.83 2ww3 s ARG 150 N -1.73 0.84 -0.20 0.44 3.52 -0.57 -0.81 118.95 120.44 2ww3 s ARG 150 Ca 0.20 -0.04 -0.07 0.00 -0.13 0.00 0.00 55.73 55.68 2ww3 s ARG 150 Cb -0.11 -1.25 -0.04 0.00 -1.56 0.00 0.00 34.95 31.99 2ww3 s ARG 150 CO 0.11 -0.33 0.06 -0.06 -0.81 0.00 0.00 175.30 174.27 2ww3 s PHE 151 N 1.89 3.19 -0.46 5.12 0.40 -0.05 -1.18 117.98 126.90 2ww3 s PHE 151 Ca 0.04 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 2ww3 s PHE 151 Cb -0.13 -2.12 0.10 0.00 0.51 0.00 0.00 43.02 41.38 2ww3 s PHE 151 CO -0.06 -0.00 0.33 0.99 0.70 0.00 0.00 175.22 177.18 2ww3 s THR 152 N 0.75 4.45 0.38 0.64 2.01 0.53 -1.28 115.64 123.11 2ww3 s THR 152 Ca 0.03 -1.51 -0.07 0.00 0.31 0.00 0.00 61.69 60.46 2ww3 s THR 152 Cb -0.13 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2ww3 s THR 152 CO 0.02 -0.65 0.68 -0.36 -0.69 0.00 0.00 174.62 173.62 2ww3 s PHE 153 N 1.45 3.49 0.60 4.92 0.08 -0.70 -1.79 117.98 126.03 2ww3 s PHE 153 Ca 0.04 0.81 -0.03 0.00 0.12 0.00 0.00 56.93 57.86 2ww3 s PHE 153 Cb -0.25 -2.26 0.12 0.00 -0.57 0.00 0.00 43.02 40.07 2ww3 s PHE 153 CO 0.02 -0.03 0.81 -0.35 -0.10 0.00 0.00 175.22 175.57 2ww3 n PRO 154 N -1.42 -0.20 -2.15 0.24 -0.04 -1.23 -0.88 135.00 129.33 2ww3 n PRO 154 Ca 0.00 -1.92 -0.43 0.00 -0.04 0.00 0.00 63.50 61.12 2ww3 n PRO 154 Cb 0.54 -0.63 -0.03 0.00 -0.04 0.00 0.00 33.50 33.34 2ww3 n PRO 154 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ww3 s GLU 155 N -4.62 4.04 -0.24 0.54 2.12 -1.26 -4.35 118.70 114.93 2ww3 s GLU 155 Ca 0.52 1.85 -0.26 0.00 0.36 0.00 0.00 54.97 57.44 2ww3 s GLU 155 Cb -0.02 -3.95 0.08 0.00 0.26 0.00 0.00 34.13 30.49 2ww3 s GLU 155 CO 0.35 -0.99 0.77 1.21 -0.54 0.00 0.00 175.26 176.06 2ww3 s ASN 156 N 3.37 -0.68 0.44 -1.70 3.84 -0.26 -4.90 114.94 115.05 2ww3 s ASN 156 Ca 0.68 1.24 0.25 0.00 0.21 0.00 0.00 52.86 55.24 2ww3 s ASN 156 Cb -0.27 1.23 0.72 0.00 -0.55 0.00 0.00 41.25 42.37 2ww3 s ASN 156 CO 0.26 -0.28 1.74 0.44 -2.79 0.00 0.00 177.10 176.47 2ww3 h ASP 157 N 4.56 0.00 -3.59 -4.21 3.32 -1.89 -0.03 116.42 114.57 2ww3 h ASP 157 Ca -0.28 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.14 2ww3 h ASP 157 Cb 1.16 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.30 2ww3 h ASP 157 CO 0.11 0.15 -0.64 -1.00 -1.72 0.00 0.00 179.24 176.13 2ww3 s HIS 158 N -3.41 3.04 0.01 4.55 3.76 -1.26 -4.06 115.29 117.91 2ww3 s HIS 158 Ca 0.03 -3.08 0.04 0.00 -0.15 0.00 0.00 55.06 51.90 2ww3 s HIS 158 Cb 0.08 -2.52 -0.03 0.00 1.11 0.00 0.00 32.58 31.22 2ww3 s HIS 158 CO 0.64 -0.67 -0.11 -1.12 -0.85 0.00 0.00 174.74 172.63 2ww3 s SER 159 N -0.66 4.33 0.07 1.40 0.01 -0.89 -1.61 113.70 116.35 2ww3 s SER 159 Ca 0.21 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 2ww3 s SER 159 Cb -0.15 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.11 2ww3 s SER 159 CO -0.08 0.29 -0.01 -0.31 0.41 0.00 0.00 173.24 173.53 2ww3 s TYR 160 N -0.94 0.59 -0.10 2.43 1.51 -0.30 -1.57 117.35 118.98 2ww3 s TYR 160 Ca 0.16 -1.10 0.03 0.00 -1.01 0.00 0.00 57.07 55.14 2ww3 s TYR 160 Cb -0.11 -0.41 0.01 0.00 -0.11 0.00 0.00 41.96 41.34 2ww3 s TYR 160 CO 0.06 -0.41 -0.20 0.08 -1.11 0.00 0.00 175.55 173.97 2ww3 s VAL 161 N -3.95 1.77 -0.20 0.71 1.01 -0.05 -1.14 120.40 118.55 2ww3 s VAL 161 Ca 0.11 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 2ww3 s VAL 161 Cb 0.08 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2ww3 s VAL 161 CO -0.08 0.49 0.12 -0.69 0.00 0.00 0.00 175.10 174.95 2ww3 s VAL 162 N 0.53 5.36 -0.13 2.92 1.01 0.69 -1.95 120.40 128.84 2ww3 s VAL 162 Ca -0.16 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2ww3 s VAL 162 Cb -0.17 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 2ww3 s VAL 162 CO 0.06 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 2ww3 s VAL 163 N 0.34 3.34 -0.25 2.92 1.01 0.25 -1.27 120.40 126.74 2ww3 s VAL 163 Ca 0.08 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2ww3 s VAL 163 Cb -0.11 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.91 2ww3 s VAL 163 CO -0.02 0.52 -0.09 -0.62 0.00 0.00 0.00 175.10 174.90 2ww3 s ASP 164 N 0.26 4.13 0.00 3.32 -1.08 0.51 -0.74 116.67 123.08 2ww3 s ASP 164 Ca -0.07 -1.27 0.28 0.00 -0.52 0.00 0.00 52.55 50.97 2ww3 s ASP 164 Cb -0.15 -1.38 1.12 0.00 -1.46 0.00 0.00 42.92 41.04 2ww3 s ASP 164 CO 0.05 -0.20 1.79 0.00 0.52 0.00 0.00 175.17 177.32 2ww3 n ALA 165 N 4.54 2.83 -0.19 3.66 0.00 -0.72 -0.94 120.51 129.69 2ww3 n ALA 165 Ca -0.13 -0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.04 2ww3 n ALA 165 Cb 0.43 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.94 -0.49 -1.76 0.00 3.01 -1.25 -4.50 117.46 111.53 2ww3 n PHE 166 Ca 0.13 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.85 2ww3 n PHE 166 Cb 0.29 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 2ww3 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww3 n ASP 167 N -2.70 0.00 -1.87 4.37 5.75 -1.26 -3.98 116.55 116.86 2ww3 n ASP 167 Ca -0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.57 2ww3 n ASP 167 Cb 0.09 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 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 0.00 -1.54 0.00 0.11 4.76 -1.16 -3.39 118.16 116.94 2ww3 n LYS 168 Ca 0.00 1.15 0.00 0.00 -2.87 0.00 0.00 58.31 56.59 2ww3 n LYS 168 Cb 0.00 -5.63 0.00 0.00 -1.84 0.00 0.00 35.03 27.56 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 -0.59 0.82 3.36 0.72 0.00 -0.31 -4.59 105.19 104.59 2ww3 n GLY 169 Ca -0.22 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.74 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 1.81 0.01 1.61 1.04 -0.14 -3.37 113.70 114.67 2ww3 s SER 170 Ca 0.00 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 54.79 2ww3 s SER 170 Cb 0.00 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 2ww3 s SER 170 CO 0.00 -0.95 -0.03 -0.47 0.98 0.00 0.00 173.24 172.78 2ww3 s TYR 171 N -3.49 0.22 -0.15 5.02 5.04 -0.67 -2.30 117.35 121.01 2ww3 s TYR 171 Ca 0.35 -0.35 -0.13 0.00 -2.44 0.00 0.00 57.07 54.49 2ww3 s TYR 171 Cb 0.04 -0.15 0.04 0.00 0.35 0.00 0.00 41.96 42.24 2ww3 s TYR 171 CO 0.20 -0.12 0.41 -1.50 -1.34 0.00 0.00 175.55 173.20 2ww3 s ILE 172 N -0.96 -0.00 -0.11 3.14 1.10 -0.57 -1.82 121.20 121.97 2ww3 s ILE 172 Ca -0.10 0.02 -0.04 0.00 -0.51 0.00 0.00 60.65 60.01 2ww3 s ILE 172 Cb -0.07 -0.57 0.06 0.00 0.15 0.00 0.00 42.46 42.03 2ww3 s ILE 172 CO -0.01 0.01 0.22 -0.75 -2.11 0.00 0.00 174.94 172.30 2ww3 s LYS 173 N 0.40 0.10 -0.45 3.50 2.20 0.25 -0.87 119.74 124.87 2ww3 s LYS 173 Ca -0.02 0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 56.01 2ww3 s LYS 173 Cb -0.04 -0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.17 2ww3 s LYS 173 CO -0.02 -0.29 0.83 0.42 -0.36 0.00 0.00 175.35 175.94 2ww3 s ILE 174 N 2.29 4.60 -0.95 5.43 1.01 0.11 -1.59 121.20 132.09 2ww3 s ILE 174 Ca 0.01 0.54 -0.07 0.00 0.00 0.00 0.00 60.65 61.13 2ww3 s ILE 174 Cb -0.12 -4.35 0.24 0.00 0.01 0.00 0.00 42.46 38.24 2ww3 s ILE 174 CO -0.07 -0.75 0.89 -0.63 0.00 0.00 0.00 174.94 174.38 2ww3 s ILE 175 N 3.43 5.27 0.25 2.92 1.01 -0.38 -4.86 121.20 128.84 2ww3 s ILE 175 Ca 0.32 -3.32 -0.05 0.00 0.00 0.00 0.00 60.65 57.59 2ww3 s ILE 175 Cb -0.11 -4.22 0.22 0.00 0.01 0.00 0.00 42.46 38.35 2ww3 s ILE 175 CO 0.24 -1.10 1.88 -0.65 0.00 0.00 0.00 174.94 175.31 2ww3 h PRO 176 N 6.73 1.20 0.00 2.79 0.11 -1.95 -1.67 132.00 139.21 2ww3 h PRO 176 Ca 0.14 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2ww3 h PRO 176 Cb 0.90 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2ww3 h PRO 176 CO 0.89 0.87 0.00 -0.85 -0.21 0.00 0.00 178.00 178.70 2ww3 n GLU 177 N -4.34 0.06 -0.14 1.05 0.00 -1.26 -1.00 120.64 115.00 2ww3 n GLU 177 Ca 0.09 0.25 0.06 0.00 0.00 0.00 0.00 57.16 57.56 2ww3 n GLU 177 Cb 0.09 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.11 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 -1.29 1.22 -4.28 3.44 1.02 -0.67 -4.99 120.64 115.09 2ww3 n GLU 178 Ca 0.02 -1.98 -0.31 0.00 -0.02 0.00 0.00 57.16 54.87 2ww3 n GLU 178 Cb 0.03 -1.16 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 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 -0.92 0.79 -4.28 1.62 3.02 -0.17 -4.67 115.26 110.64 2ww3 n ASN 179 Ca 0.09 -1.24 -0.20 0.00 -0.03 0.00 0.00 54.58 53.20 2ww3 n ASN 179 Cb 0.58 -1.55 -0.11 0.00 -0.61 0.00 0.00 39.78 38.09 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 -7.26 1.13 -0.02 3.52 2.20 -0.93 -0.62 119.74 117.76 2ww3 s LYS 180 Ca 0.04 -1.29 0.01 0.00 -0.36 0.00 0.00 55.97 54.37 2ww3 s LYS 180 Cb -0.03 -1.12 0.01 0.00 -1.51 0.00 0.00 37.83 35.19 2ww3 s LYS 180 CO 0.97 0.22 -0.02 0.42 -0.36 0.00 0.00 175.35 176.59 2ww3 s ILE 181 N -2.00 0.23 0.31 5.43 1.01 0.13 -1.24 121.20 125.07 2ww3 s ILE 181 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.77 2ww3 s ILE 181 Cb -0.06 -0.25 -0.06 0.00 0.01 0.00 0.00 42.46 42.10 2ww3 s ILE 181 CO 0.05 0.11 0.05 0.27 0.00 0.00 0.00 174.94 175.42 2ww3 s ILE 182 N 0.46 1.16 -3.30 2.92 -4.36 -0.62 0.00 121.20 117.46 2ww3 s ILE 182 Ca -0.05 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 2ww3 s ILE 182 Cb -0.07 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.89 2ww3 s ILE 182 CO -0.01 -0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.75 2ww3 n GLY 183 N -0.65 -2.30 3.18 6.27 0.00 -0.69 -0.58 105.19 110.42 2ww3 n GLY 183 Ca -0.02 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.02 0.42 0.05 1.61 -0.85 -0.76 -0.16 117.35 115.65 2ww3 s TYR 184 Ca 0.00 -0.87 0.05 0.00 -0.52 0.00 0.00 57.07 55.72 2ww3 s TYR 184 Cb 0.00 -0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 2ww3 s TYR 184 CO 0.00 -0.51 -0.14 -0.08 -1.52 0.00 0.00 175.55 173.30 2ww3 s THR 185 N -3.93 1.07 0.00 -3.49 -1.32 -0.52 -1.67 115.64 105.78 2ww3 s THR 185 Ca 0.11 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 2ww3 s THR 185 Cb 0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 2ww3 s THR 185 CO -0.07 -0.11 0.00 0.35 -2.21 0.00 0.00 174.62 172.58 2ww3 n THR 186 N 1.64 0.00 -1.64 5.08 -2.24 -1.22 -0.72 114.28 115.19 2ww3 n THR 186 Ca -0.19 0.00 -0.61 0.00 -2.27 0.00 0.00 64.05 60.98 2ww3 n THR 186 Cb 0.54 -0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.37 0.39 -3.98 -0.78 0.63 -1.22 -4.73 116.66 105.61 2ww3 n ARG 187 Ca 0.00 0.14 -0.16 0.00 -0.92 0.00 0.00 57.85 56.91 2ww3 n ARG 187 Cb 0.16 -1.70 -0.06 0.00 0.45 0.00 0.00 32.46 31.31 2ww3 n ARG 187 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2ww3 n ASN 188 N 3.26 -0.87 -0.41 6.15 6.94 -1.26 -3.75 115.26 125.33 2ww3 n ASN 188 Ca 0.25 -2.94 0.07 0.00 -0.02 0.00 0.00 54.58 51.95 2ww3 n ASN 188 Cb 0.06 1.83 0.18 0.00 -2.36 0.00 0.00 39.78 39.49 2ww3 n ASN 188 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2ww3 n SER 189 N -1.74 2.01 0.00 0.53 7.64 -1.02 -4.94 113.62 116.09 2ww3 n SER 189 Ca 0.05 -3.57 0.00 0.00 1.01 0.00 0.00 58.87 56.36 2ww3 n SER 189 Cb 0.55 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 -1.24 -4.15 2.68 0.23 0.00 -1.26 -5.02 105.19 96.42 2ww3 n GLY 190 Ca 0.18 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.95 2ww3 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 191 N -0.05 -0.20 2.98 -0.02 0.00 -1.26 -4.48 105.19 102.16 2ww3 n GLY 191 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 2ww3 n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww3 s VAL 192 N -3.01 0.51 1.31 1.61 -7.23 -1.26 -0.81 120.40 111.51 2ww3 s VAL 192 Ca 0.23 -0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 59.93 2ww3 s VAL 192 Cb -0.10 -0.44 0.34 0.00 0.56 0.00 0.00 36.38 36.74 2ww3 s VAL 192 CO 0.28 0.13 0.97 -2.84 -0.31 0.00 0.00 175.10 173.33 2ww3 s PRO 193 N -0.19 -2.03 0.21 4.82 0.02 -1.20 -4.92 135.00 131.70 2ww3 s PRO 193 Ca 0.02 0.57 0.07 0.00 0.02 0.00 0.00 61.00 61.69 2ww3 s PRO 193 Cb -0.03 -1.45 0.14 0.00 0.02 0.00 0.00 34.50 33.18 2ww3 s PRO 193 CO -0.00 -4.39 1.48 0.93 -0.33 0.00 0.00 177.00 174.69 2ww3 h GLU 194 N -3.09 0.06 0.00 5.54 3.07 -1.97 -3.09 114.58 115.10 2ww3 h GLU 194 Ca -0.56 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.24 2ww3 h GLU 194 Cb 1.34 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2ww3 h GLU 194 CO 0.41 0.79 0.00 0.27 -1.40 0.00 0.00 179.01 179.08 2ww3 n ASN 195 N -3.67 0.00 -4.68 1.42 6.94 -1.26 -4.92 115.26 109.09 2ww3 n ASN 195 Ca -0.01 -1.07 -0.48 0.00 -0.02 0.00 0.00 54.58 53.00 2ww3 n ASN 195 Cb 0.73 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 38.11 2ww3 n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ww3 n PHE 196 N -0.90 2.35 -3.93 -2.53 7.35 -1.17 -4.98 117.46 113.65 2ww3 n PHE 196 Ca 0.18 -0.06 -0.10 0.00 -0.76 0.00 0.00 57.45 56.71 2ww3 n PHE 196 Cb 0.08 -2.69 -0.10 0.00 0.35 0.00 0.00 39.48 37.12 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 4.20 0.43 -0.28 -4.13 3.01 -1.26 -4.79 119.74 116.93 2ww3 s LYS 197 Ca 0.93 -0.57 -0.05 0.00 -1.01 0.00 0.00 55.97 55.27 2ww3 s LYS 197 Cb -0.66 0.17 0.01 0.00 -1.01 0.00 0.00 37.83 36.35 2ww3 s LYS 197 CO 0.50 -0.09 0.03 1.21 0.51 0.00 0.00 175.35 177.51 2ww3 s ASN 198 N -1.58 4.86 -0.13 2.83 3.84 0.11 -4.62 114.94 120.25 2ww3 s ASN 198 Ca -0.13 -0.75 -0.21 0.00 0.21 0.00 0.00 52.86 51.99 2ww3 s ASN 198 Cb -0.07 -1.81 -0.03 0.00 -0.55 0.00 0.00 41.25 38.78 2ww3 s ASN 198 CO -0.01 -0.17 0.60 -0.31 -2.79 0.00 0.00 177.10 174.42 2ww3 s TYR 199 N 1.44 3.48 0.09 0.43 1.51 0.36 -1.44 117.35 123.21 2ww3 s TYR 199 Ca 0.02 1.00 0.07 0.00 -1.01 0.00 0.00 57.07 57.15 2ww3 s TYR 199 Cb -0.17 -2.72 -0.03 0.00 -0.11 0.00 0.00 41.96 38.93 2ww3 s TYR 199 CO 0.00 0.01 -0.20 -0.59 -1.11 0.00 0.00 175.55 173.67 2ww3 s PHE 200 N 1.17 1.68 -0.02 2.71 -0.12 0.78 -0.30 117.98 123.86 2ww3 s PHE 200 Ca 0.30 -0.42 0.03 0.00 -0.05 0.00 0.00 56.93 56.80 2ww3 s PHE 200 Cb -0.16 -0.93 -0.00 0.00 -0.63 0.00 0.00 43.02 41.29 2ww3 s PHE 200 CO 0.13 0.16 -0.12 0.42 -0.05 0.00 0.00 175.22 175.76 2ww3 s ILE 201 N -1.13 1.00 -0.09 -4.49 1.01 -0.20 -1.70 121.20 115.60 2ww3 s ILE 201 Ca 0.05 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 2ww3 s ILE 201 Cb -0.10 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.54 2ww3 s ILE 201 CO 0.04 0.29 -0.05 -0.63 0.00 0.00 0.00 174.94 174.59 2ww3 s ILE 202 N 0.01 0.75 -0.15 2.92 1.01 0.10 -2.32 121.20 123.52 2ww3 s ILE 202 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 2ww3 s ILE 202 Cb -0.08 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 2ww3 s ILE 202 CO 0.01 0.31 -0.14 -1.61 0.00 0.00 0.00 174.94 173.51 2ww3 s GLU 203 N 1.66 3.29 0.02 2.79 2.02 -0.37 -0.69 118.70 127.42 2ww3 s GLU 203 Ca 0.02 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 2ww3 s GLU 203 Cb -0.13 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 2ww3 s GLU 203 CO -0.06 0.08 0.17 -0.06 0.02 0.00 0.00 175.26 175.42 2ww3 s PHE 204 N 0.67 3.47 -1.56 1.61 0.40 0.21 -0.18 117.98 122.60 2ww3 s PHE 204 Ca -0.07 0.27 0.17 0.00 -0.60 0.00 0.00 56.93 56.70 2ww3 s PHE 204 Cb -0.16 -1.77 0.57 0.00 0.51 0.00 0.00 43.02 42.17 2ww3 s PHE 204 CO 0.02 0.60 1.47 -0.40 0.70 0.00 0.00 175.22 177.61 2ww3 n ASP 205 N 0.69 3.69 -4.07 1.36 5.75 -0.87 -4.76 116.55 118.34 2ww3 n ASP 205 Ca -0.09 -2.21 -0.26 0.00 -0.01 0.00 0.00 54.79 52.23 2ww3 n ASP 205 Cb 0.52 -0.47 -0.16 0.00 -1.03 0.00 0.00 41.12 39.97 2ww3 n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ww3 s LYS 206 N -1.53 1.86 0.55 0.11 2.20 -1.26 -4.93 119.74 116.74 2ww3 s LYS 206 Ca 0.42 -0.51 -0.21 0.00 -0.36 0.00 0.00 55.97 55.31 2ww3 s LYS 206 Cb 0.25 -1.53 -0.04 0.00 -1.51 0.00 0.00 37.83 34.99 2ww3 s LYS 206 CO 0.24 0.10 1.29 -2.14 -0.36 0.00 0.00 175.35 174.47 2ww3 s PRO 207 N 0.46 3.13 0.27 4.03 0.02 -1.26 -4.94 135.00 136.70 2ww3 s PRO 207 Ca -0.12 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 62.65 2ww3 s PRO 207 Cb -0.15 -2.16 -0.09 0.00 0.02 0.00 0.00 34.50 32.12 2ww3 s PRO 207 CO 0.04 -1.14 1.06 -0.06 -0.33 0.00 0.00 177.00 176.56 2ww3 s PHE 208 N -1.41 3.69 -0.33 6.54 0.08 -1.26 -4.83 117.98 120.46 2ww3 s PHE 208 Ca 0.73 1.76 0.08 0.00 0.12 0.00 0.00 56.93 59.62 2ww3 s PHE 208 Cb -0.36 -3.20 -0.10 0.00 -0.57 0.00 0.00 43.02 38.79 2ww3 s PHE 208 CO 0.41 -0.28 0.32 2.41 -0.10 0.00 0.00 175.22 177.98 2ww3 n THR 209 N 1.28 0.00 -3.83 0.64 -1.04 0.13 -4.96 114.28 106.50 2ww3 n THR 209 Ca -0.01 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.05 61.57 2ww3 n THR 209 Cb 0.45 0.89 -0.15 0.00 -1.82 0.00 0.00 70.33 69.71 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 -1.90 0.01 -0.08 -1.42 6.14 -0.46 -4.93 117.35 114.71 2ww3 s TYR 210 Ca 0.02 0.06 -0.07 0.00 0.64 0.00 0.00 57.07 57.73 2ww3 s TYR 210 Cb 0.06 -0.10 0.02 0.00 0.42 0.00 0.00 41.96 42.37 2ww3 s TYR 210 CO 0.34 -0.04 0.20 -1.59 0.64 0.00 0.00 175.55 175.10 2ww3 s LYS 211 N 0.45 0.23 -0.01 4.97 -2.85 -1.26 -1.15 119.74 120.11 2ww3 s LYS 211 Ca -0.04 0.29 -0.26 0.00 -1.00 0.00 0.00 55.97 54.96 2ww3 s LYS 211 Cb -0.05 0.09 0.06 0.00 -2.06 0.00 0.00 37.83 35.87 2ww3 s LYS 211 CO -0.01 -0.04 0.59 0.00 0.10 0.00 0.00 175.35 175.99 2ww3 s ALA 212 N 0.19 -1.53 0.39 0.59 0.00 -0.49 0.09 121.76 121.01 2ww3 s ALA 212 Ca -0.01 0.99 0.08 0.00 0.00 0.00 0.00 51.96 53.02 2ww3 s ALA 212 Cb -0.02 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2ww3 s ALA 212 CO -0.00 -0.40 0.23 0.95 0.00 0.00 0.00 175.76 176.53 2ww3 s THR 213 N -1.60 2.65 -0.06 0.00 -4.23 -0.82 -1.17 115.64 110.40 2ww3 s THR 213 Ca -0.10 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 2ww3 s THR 213 Cb -0.01 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2ww3 s THR 213 CO 0.06 -0.06 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.21 2ww3 s VAL 214 N -2.51 1.55 -0.15 2.29 1.01 0.29 -0.23 120.40 122.66 2ww3 s VAL 214 Ca 0.42 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2ww3 s VAL 214 Cb -0.00 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.06 2ww3 s VAL 214 CO 0.24 0.45 -0.10 -0.70 0.00 0.00 0.00 175.10 174.98 2ww3 s GLU 215 N 0.23 1.91 -1.09 2.72 2.12 0.59 -2.93 118.70 122.26 2ww3 s GLU 215 Ca -0.10 -0.52 -0.23 0.00 0.36 0.00 0.00 54.97 54.48 2ww3 s GLU 215 Cb -0.14 -2.00 0.03 0.00 0.26 0.00 0.00 34.13 32.28 2ww3 s GLU 215 CO 0.04 -0.31 0.66 0.09 -0.54 0.00 0.00 175.26 175.20 2ww3 n ASN 216 N 4.82 -4.39 -1.78 -1.70 5.03 -1.24 0.59 115.26 116.59 2ww3 n ASN 216 Ca -0.15 -1.19 -0.16 0.00 0.87 0.00 0.00 54.58 53.95 2ww3 n ASN 216 Cb 0.49 -1.68 -0.05 0.00 -1.02 0.00 0.00 39.78 37.53 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 -1.95 0.87 3.40 7.41 0.00 -1.26 -4.94 105.19 108.72 2ww3 n GLY 217 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.25 4.23 -0.30 1.61 0.01 0.20 -5.02 114.94 113.40 2ww3 s ASN 218 Ca 0.00 -0.28 -0.22 0.00 -0.71 0.00 0.00 52.86 51.65 2ww3 s ASN 218 Cb 0.00 -1.66 -0.00 0.00 0.41 0.00 0.00 41.25 40.00 2ww3 s ASN 218 CO 0.00 0.16 0.73 -0.22 -1.51 0.00 0.00 177.10 176.26 2ww3 s LEU 219 N 0.40 4.11 -0.42 0.60 2.96 -1.26 -0.30 118.68 124.78 2ww3 s LEU 219 Ca -0.08 0.60 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 2ww3 s LEU 219 Cb -0.15 -2.98 0.11 0.00 0.50 0.00 0.00 46.19 43.67 2ww3 s LEU 219 CO 0.05 -0.56 0.16 -1.10 -1.32 0.00 0.00 176.35 173.58 2ww3 s GLN 220 N 2.82 1.78 0.32 1.98 -0.21 0.69 -5.01 119.66 122.02 2ww3 s GLN 220 Ca 0.30 -2.09 -0.29 0.00 0.02 0.00 0.00 55.36 53.29 2ww3 s GLN 220 Cb -0.14 -3.35 -0.11 0.00 1.00 0.00 0.00 33.01 30.41 2ww3 s GLN 220 CO 0.12 -1.02 1.57 -2.00 -2.12 0.00 0.00 175.29 171.84 2ww3 s GLU 221 N 0.60 4.11 0.00 2.91 2.12 -1.26 -1.94 118.70 125.23 2ww3 s GLU 221 Ca 0.12 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.05 2ww3 s GLU 221 Cb -0.21 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.18 2ww3 s GLU 221 CO -0.05 -0.62 0.00 0.09 -0.54 0.00 0.00 175.26 174.14 2ww3 n ASN 222 N 1.60 -4.21 -4.67 -1.70 3.02 0.11 -4.91 115.26 104.52 2ww3 n ASN 222 Ca 0.06 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2ww3 n ASN 222 Cb 0.38 -3.10 -0.04 0.00 -0.61 0.00 0.00 39.78 36.41 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 -1.07 4.87 -0.22 2.41 1.01 -1.00 -4.96 120.40 121.44 2ww3 s VAL 223 Ca 0.00 1.65 0.22 0.00 0.00 0.00 0.00 61.98 63.84 2ww3 s VAL 223 Cb 0.00 -4.14 0.24 0.00 0.00 0.00 0.00 36.38 32.48 2ww3 s VAL 223 CO 0.00 0.01 1.62 0.00 0.00 0.00 0.00 175.10 176.73 2ww3 h ALA 224 N 7.37 0.90 -3.52 5.51 0.00 -1.89 -3.17 119.26 124.46 2ww3 h ALA 224 Ca -0.28 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 2ww3 h ALA 224 Cb 1.12 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.61 2ww3 h ALA 224 CO 0.85 0.24 -0.62 -2.00 0.00 0.00 0.00 179.25 177.72 2ww3 s GLU 225 N -3.23 0.10 -0.01 0.00 2.12 -1.26 0.06 118.70 116.49 2ww3 s GLU 225 Ca 0.05 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.51 2ww3 s GLU 225 Cb 0.07 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.51 2ww3 s GLU 225 CO 0.68 -0.01 -0.04 -0.65 -0.54 0.00 0.00 175.26 174.70 2ww3 s GLN 226 N 0.05 0.33 -0.29 4.30 -1.52 -0.05 -5.01 119.66 117.47 2ww3 s GLN 226 Ca -0.00 -0.12 0.01 0.00 -1.95 0.00 0.00 55.36 53.30 2ww3 s GLN 226 Cb -0.01 -0.34 0.09 0.00 -0.22 0.00 0.00 33.01 32.53 2ww3 s GLN 226 CO 0.00 0.06 0.04 0.99 -0.25 0.00 0.00 175.29 176.13 2ww3 s THR 227 N 0.03 1.47 0.30 -0.19 2.01 -1.26 -1.51 115.64 116.49 2ww3 s THR 227 Ca 0.00 -1.59 -0.13 0.00 0.31 0.00 0.00 61.69 60.28 2ww3 s THR 227 Cb -0.03 -1.98 0.05 0.00 0.01 0.00 0.00 72.50 70.55 2ww3 s THR 227 CO -0.00 -0.46 0.69 1.07 -0.69 0.00 0.00 174.62 175.23 2ww3 n THR 228 N 4.63 0.00 0.21 -0.82 5.66 -0.97 -5.03 114.28 117.96 2ww3 n THR 228 Ca -0.04 -0.77 -0.15 0.00 -3.05 0.00 0.00 64.05 60.05 2ww3 n THR 228 Cb 0.43 0.80 -0.08 0.00 -1.55 0.00 0.00 70.33 69.93 2ww3 n THR 228 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2ww3 h ASP 229 N 1.65 -0.43 -3.88 1.09 3.58 -1.94 -0.34 116.42 116.15 2ww3 h ASP 229 Ca -0.27 -0.08 -0.63 0.00 0.42 0.00 0.00 57.03 56.47 2ww3 h ASP 229 Cb 1.03 0.11 -0.40 0.00 1.72 0.00 0.00 39.33 41.79 2ww3 h ASP 229 CO 0.35 -0.18 -0.69 -2.28 -2.88 0.00 0.00 179.24 173.56 2ww3 s HIS 230 N -5.39 2.62 0.21 0.28 2.46 -1.26 -1.16 115.29 113.04 2ww3 s HIS 230 Ca -0.15 -2.76 -0.21 0.00 0.47 0.00 0.00 55.06 52.41 2ww3 s HIS 230 Cb 0.03 -2.36 -0.08 0.00 -0.13 0.00 0.00 32.58 30.04 2ww3 s HIS 230 CO 0.59 -0.78 0.73 0.00 -2.47 0.00 0.00 174.74 172.81 2ww3 s ALA 231 N 0.19 3.42 0.20 1.58 0.00 -1.26 -3.67 121.76 122.22 2ww3 s ALA 231 Ca 0.16 0.20 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 2ww3 s ALA 231 Cb -0.24 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.06 2ww3 s ALA 231 CO -0.02 0.32 0.53 0.20 0.00 0.00 0.00 175.76 176.80 2ww3 s GLY 232 N -1.54 -0.13 0.01 0.00 0.00 -1.15 -1.76 107.32 102.75 2ww3 s GLY 232 Ca 0.41 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.98 2ww3 s GLY 232 CO 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 173.10 173.02 2ww3 s ALA 233 N -3.87 0.59 -0.12 3.20 0.00 0.08 -0.55 121.76 121.09 2ww3 s ALA 233 Ca 0.09 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.61 2ww3 s ALA 233 Cb -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.04 2ww3 s ALA 233 CO -0.03 0.10 -0.13 0.42 0.00 0.00 0.00 175.76 176.12 2ww3 s ILE 234 N -0.53 1.41 0.31 0.00 1.01 -0.32 0.85 121.20 123.94 2ww3 s ILE 234 Ca -0.01 -0.55 0.11 0.00 0.00 0.00 0.00 60.65 60.19 2ww3 s ILE 234 Cb -0.05 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 2ww3 s ILE 234 CO 0.00 0.43 -0.14 0.27 0.00 0.00 0.00 174.94 175.50 2ww3 s ILE 235 N 1.34 2.32 0.16 2.92 -5.25 -0.82 -1.39 121.20 120.47 2ww3 s ILE 235 Ca 0.00 -2.30 -0.24 0.00 -0.99 0.00 0.00 60.65 57.12 2ww3 s ILE 235 Cb -0.14 -2.47 0.06 0.00 2.95 0.00 0.00 42.46 42.86 2ww3 s ILE 235 CO -0.07 -0.30 0.82 -0.83 -1.79 0.00 0.00 174.94 172.77 2ww3 s GLY 236 N -3.55 -0.31 0.33 6.27 0.00 -0.30 -0.87 107.32 108.88 2ww3 s GLY 236 Ca 0.31 0.25 -0.18 0.00 0.00 0.00 0.00 44.72 45.10 2ww3 s GLY 236 CO 0.16 0.07 0.74 -0.11 0.00 0.00 0.00 173.10 173.96 2ww3 s PHE 237 N -3.50 -0.02 0.10 1.90 -0.71 -0.61 0.17 117.98 115.31 2ww3 s PHE 237 Ca 0.09 -0.53 -0.18 0.00 -1.04 0.00 0.00 56.93 55.26 2ww3 s PHE 237 Cb -0.02 0.75 -0.07 0.00 -1.21 0.00 0.00 43.02 42.46 2ww3 s PHE 237 CO -0.01 -1.39 0.58 0.21 -1.34 0.00 0.00 175.22 173.27 2ww3 s LYS 238 N -3.18 4.16 0.01 1.99 2.20 -1.26 -2.09 119.74 121.57 2ww3 s LYS 238 Ca 0.14 0.70 0.04 0.00 -0.36 0.00 0.00 55.97 56.48 2ww3 s LYS 238 Cb -0.05 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2ww3 s LYS 238 CO 0.09 0.58 -0.12 0.95 -0.36 0.00 0.00 175.35 176.50 2ww3 s THR 239 N -1.23 0.91 0.58 3.43 -4.23 -0.03 -5.00 115.64 110.07 2ww3 s THR 239 Ca 0.32 -0.65 -0.03 0.00 -1.18 0.00 0.00 61.69 60.16 2ww3 s THR 239 Cb -0.18 -0.79 0.03 0.00 1.34 0.00 0.00 72.50 72.89 2ww3 s THR 239 CO 0.19 0.14 0.85 0.00 -0.54 0.00 0.00 174.62 175.26 2ww3 s ARG 240 N -0.57 2.67 0.08 3.99 1.70 -1.26 -1.11 118.95 124.44 2ww3 s ARG 240 Ca 0.03 -0.39 -0.33 0.00 -0.47 0.00 0.00 55.73 54.57 2ww3 s ARG 240 Cb -0.06 -2.37 -0.12 0.00 -0.57 0.00 0.00 34.95 31.84 2ww3 s ARG 240 CO 0.00 -0.75 1.75 1.17 -1.08 0.00 0.00 175.30 176.39 2ww3 n LYS 241 N -2.49 2.36 -0.98 3.89 4.81 -1.26 -1.22 118.16 123.27 2ww3 n LYS 241 Ca 0.06 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 2ww3 n LYS 241 Cb 0.59 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.95 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 3.97 0.89 3.72 3.14 0.00 -0.05 -4.86 105.19 111.99 2ww3 n GLY 242 Ca 0.19 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 -0.05 4.16 -0.09 1.61 2.12 -0.36 -4.65 118.70 121.44 2ww3 s GLU 243 Ca 0.00 2.51 -0.06 0.00 0.36 0.00 0.00 54.97 57.77 2ww3 s GLU 243 Cb 0.00 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2ww3 s GLU 243 CO 0.00 -0.70 0.16 -0.65 -0.54 0.00 0.00 175.26 173.53 2ww3 s GLN 244 N 1.24 3.46 -0.10 4.30 -0.21 -1.26 -1.71 119.66 125.38 2ww3 s GLN 244 Ca 0.73 -0.15 0.01 0.00 0.02 0.00 0.00 55.36 55.98 2ww3 s GLN 244 Cb -0.47 -3.17 0.02 0.00 1.00 0.00 0.00 33.01 30.39 2ww3 s GLN 244 CO 0.32 0.75 -0.11 0.08 -2.12 0.00 0.00 175.29 174.21 2ww3 s VAL 245 N -1.10 1.18 -0.06 1.09 1.01 -0.41 -4.98 120.40 117.14 2ww3 s VAL 245 Ca 0.18 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2ww3 s VAL 245 Cb -0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2ww3 s VAL 245 CO 0.08 0.38 0.12 0.20 0.00 0.00 0.00 175.10 175.88 2ww3 s ASN 246 N 1.20 6.08 -0.12 3.32 0.01 -1.26 -0.87 114.94 123.30 2ww3 s ASN 246 Ca -0.04 0.32 0.01 0.00 -0.71 0.00 0.00 52.86 52.44 2ww3 s ASN 246 Cb -0.14 -1.88 0.02 0.00 0.41 0.00 0.00 41.25 39.66 2ww3 s ASN 246 CO -0.03 0.33 -0.13 0.00 -1.51 0.00 0.00 177.10 175.76 2ww3 s ALA 247 N -1.13 1.66 -0.21 0.60 0.00 0.01 -2.05 121.76 120.64 2ww3 s ALA 247 Ca 0.20 -0.74 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 2ww3 s ALA 247 Cb -0.12 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 2ww3 s ALA 247 CO 0.10 -0.26 0.27 1.03 0.00 0.00 0.00 175.76 176.90 2ww3 s ARG 248 N 1.32 4.15 0.00 0.00 0.52 0.74 -0.58 118.95 125.11 2ww3 s ARG 248 Ca 0.00 -0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2ww3 s ARG 248 Cb -0.14 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 31.81 2ww3 s ARG 248 CO -0.06 0.07 -0.10 0.42 0.02 0.00 0.00 175.30 175.64 2ww3 s ILE 249 N 1.02 0.79 0.07 1.52 1.01 0.62 -1.24 121.20 124.99 2ww3 s ILE 249 Ca 0.13 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 2ww3 s ILE 249 Cb -0.14 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.66 2ww3 s ILE 249 CO 0.05 0.13 0.25 0.00 0.00 0.00 0.00 174.94 175.38 2ww3 s ALA 250 N -0.41 -0.49 0.17 9.38 0.00 -0.98 0.47 121.76 129.91 2ww3 s ALA 250 Ca 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 2ww3 s ALA 250 Cb -0.05 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2ww3 s ALA 250 CO -0.00 -0.47 0.07 -1.54 0.00 0.00 0.00 175.76 173.82 2ww3 s SER 251 N -2.45 0.51 0.10 0.00 1.04 -1.20 -1.04 113.70 110.65 2ww3 s SER 251 Ca -0.00 -1.27 -0.19 0.00 0.48 0.00 0.00 55.95 54.97 2ww3 s SER 251 Cb 0.02 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.45 2ww3 s SER 251 CO -0.07 -0.73 0.46 -0.55 0.98 0.00 0.00 173.24 173.32 2ww3 s SER 252 N -3.13 -0.33 0.00 7.02 0.15 0.59 -4.72 113.70 113.29 2ww3 s SER 252 Ca 0.29 -0.11 0.23 0.00 0.70 0.00 0.00 55.95 57.06 2ww3 s SER 252 Cb 0.07 0.49 0.40 0.00 -1.71 0.00 0.00 66.02 65.26 2ww3 s SER 252 CO 0.06 -0.81 1.38 0.49 1.20 0.00 0.00 173.24 175.56 2ww3 n PHE 253 N 0.01 0.45 -0.11 3.44 3.01 -1.26 -0.49 117.46 122.51 2ww3 n PHE 253 Ca -0.17 -0.23 -0.18 0.00 1.01 0.00 0.00 57.45 57.89 2ww3 n PHE 253 Cb 0.62 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.04 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 1.47 1.47 -3.86 4.37 5.41 -1.26 -4.72 119.36 122.24 2ww3 n ILE 254 Ca 0.19 -0.09 0.01 0.00 1.00 0.00 0.00 62.75 63.86 2ww3 n ILE 254 Cb 0.60 -2.10 0.01 0.00 -0.71 0.00 0.00 39.64 37.44 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 -6.58 -0.02 0.22 4.38 1.04 -1.26 -4.98 113.70 106.49 2ww3 s SER 255 Ca -0.32 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.78 2ww3 s SER 255 Cb 0.09 0.26 0.20 0.00 0.10 0.00 0.00 66.02 66.67 2ww3 s SER 255 CO 0.43 -0.50 1.58 -0.26 0.98 0.00 0.00 173.24 175.47 2ww3 h PHE 256 N 2.00 0.68 0.07 5.02 0.04 -1.94 -2.60 116.94 120.20 2ww3 h PHE 256 Ca -0.26 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2ww3 h PHE 256 Cb 1.20 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 2ww3 h PHE 256 CO 1.08 0.89 -0.07 0.93 -0.60 0.00 0.00 178.31 180.54 2ww3 h GLU 257 N 0.46 -0.15 -0.17 1.51 3.07 -2.00 -2.25 114.58 115.04 2ww3 h GLU 257 Ca 0.04 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 2ww3 h GLU 257 Cb 0.92 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 2ww3 h GLU 257 CO 0.08 -0.10 -0.23 0.37 -1.40 0.00 0.00 179.01 177.73 2ww3 h GLN 258 N -0.16 0.31 -0.78 2.33 5.75 -1.93 -1.40 115.11 119.23 2ww3 h GLN 258 Ca 0.01 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2ww3 h GLN 258 Cb 0.16 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.63 2ww3 h GLN 258 CO -0.03 0.53 0.48 0.00 -2.65 0.00 0.00 178.83 177.16 2ww3 h ALA 259 N 1.48 1.06 -0.81 3.38 0.00 -1.26 -0.04 119.26 123.07 2ww3 h ALA 259 Ca 0.05 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2ww3 h ALA 259 Cb 0.57 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2ww3 h ALA 259 CO 0.04 0.22 0.50 0.00 0.00 0.00 0.00 179.25 180.01 2ww3 h ALA 260 N 1.37 1.09 -0.81 0.00 0.00 -0.66 -1.38 119.26 118.87 2ww3 h ALA 260 Ca 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2ww3 h ALA 260 Cb 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2ww3 h ALA 260 CO -0.16 0.28 0.34 0.00 0.00 0.00 0.00 179.25 179.71 2ww3 h ALA 261 N 1.36 1.04 -0.36 0.00 0.00 -0.84 -2.75 119.26 117.71 2ww3 h ALA 261 Ca 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2ww3 h ALA 261 Cb 0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2ww3 h ALA 261 CO -0.15 0.65 0.07 -0.91 0.00 0.00 0.00 179.25 178.92 2ww3 h ASN 262 N 1.16 0.49 -0.56 0.00 2.35 -0.25 -1.88 115.58 116.89 2ww3 h ASN 262 Ca 0.27 -0.07 0.11 0.00 -0.55 0.00 0.00 56.30 56.06 2ww3 h ASN 262 Cb 0.19 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2ww3 h ASN 262 CO -0.03 0.51 0.38 -0.03 -1.65 0.00 0.00 177.43 176.61 2ww3 h MET 263 N 0.52 0.28 0.00 0.81 4.05 -0.97 -0.45 114.93 119.17 2ww3 h MET 263 Ca 0.12 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2ww3 h MET 263 Cb 0.23 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2ww3 h MET 263 CO -0.00 0.18 0.00 0.09 0.23 0.00 0.00 176.91 177.41 2ww3 n ASN 264 N -4.45 0.00 0.25 1.39 5.03 -0.71 -0.17 115.26 116.60 2ww3 n ASN 264 Ca 0.09 0.40 0.10 0.00 0.87 0.00 0.00 54.58 56.05 2ww3 n ASN 264 Cb 0.42 -0.41 0.65 0.00 -1.02 0.00 0.00 39.78 39.42 2ww3 n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ww3 h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.24 -1.98 114.58 119.96 2ww3 h GLU 265 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ww3 h GLU 265 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2ww3 h GLU 265 CO 0.00 0.14 0.00 1.28 -1.00 0.00 0.00 179.01 179.43 2ww3 n LEU 266 N -3.88 0.37 0.00 1.33 4.77 0.76 -4.97 117.00 115.39 2ww3 n LEU 266 Ca -0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2ww3 n LEU 266 Cb 0.24 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2ww3 n LEU 266 CO 0.32 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2ww3 n GLY 267 N 1.11 2.32 0.56 -0.72 0.00 -0.75 -1.73 105.19 105.98 2ww3 n GLY 267 Ca 0.06 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 1.58 -2.37 1.61 5.02 -1.26 -4.98 118.16 131.77 2ww3 n LYS 268 Ca 0.00 -3.15 -0.39 0.00 -2.02 0.00 0.00 58.31 52.75 2ww3 n LYS 268 Cb 0.00 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 2ww3 n LYS 268 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww3 s ASP 269 N -3.07 6.90 0.78 4.39 1.01 -0.70 -5.07 116.67 120.91 2ww3 s ASP 269 Ca 0.38 2.34 -0.05 0.00 0.71 0.00 0.00 52.55 55.93 2ww3 s ASP 269 Cb 0.36 -2.62 0.14 0.00 1.01 0.00 0.00 42.92 41.81 2ww3 s ASP 269 CO -0.04 -0.41 1.08 0.54 0.21 0.00 0.00 175.17 176.55 2ww3 s ASN 270 N -0.96 4.04 0.12 0.27 4.22 -1.26 -4.83 114.94 116.54 2ww3 s ASN 270 Ca 0.50 -0.16 -0.24 0.00 -2.14 0.00 0.00 52.86 50.83 2ww3 s ASN 270 Cb -0.32 -0.14 -0.05 0.00 1.28 0.00 0.00 41.25 42.02 2ww3 s ASN 270 CO 0.41 -2.08 1.67 0.40 -2.04 0.00 0.00 177.10 175.45 2ww3 h ILE 271 N -0.83 0.59 -0.78 0.54 1.08 -1.97 -0.68 117.51 115.47 2ww3 h ILE 271 Ca -0.39 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.14 2ww3 h ILE 271 Cb 1.26 0.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.54 2ww3 h ILE 271 CO 0.40 0.00 0.47 -0.33 -0.69 0.00 0.00 178.15 178.00 2ww3 h GLU 272 N -0.26 0.83 -0.43 2.37 3.07 -1.98 0.16 114.58 118.34 2ww3 h GLU 272 Ca 0.06 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.76 2ww3 h GLU 272 Cb 0.34 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2ww3 h GLU 272 CO -0.18 0.55 -0.18 1.96 -1.40 0.00 0.00 179.01 179.75 2ww3 h GLN 273 N 0.86 0.88 -0.29 2.33 4.20 -1.74 -1.14 115.11 120.20 2ww3 h GLN 273 Ca 0.34 -0.37 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 2ww3 h GLN 273 Cb 0.17 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2ww3 h GLN 273 CO -0.17 1.02 -0.50 -0.07 -0.67 0.00 0.00 178.83 178.44 2ww3 h LEU 274 N 0.70 0.89 -0.88 1.46 3.38 -0.94 -1.92 115.31 117.99 2ww3 h LEU 274 Ca 0.10 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.65 2ww3 h LEU 274 Cb 0.74 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2ww3 h LEU 274 CO 0.06 1.23 0.57 0.00 0.09 0.00 0.00 178.44 180.39 2ww3 h ALA 275 N 0.80 1.16 -0.40 1.53 0.00 -0.58 0.27 119.26 122.04 2ww3 h ALA 275 Ca 0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2ww3 h ALA 275 Cb 1.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2ww3 h ALA 275 CO 0.11 0.43 -0.10 0.37 0.00 0.00 0.00 179.25 180.07 2ww3 h GLN 276 N 1.12 0.70 -0.55 0.00 5.75 -1.02 -1.42 115.11 119.70 2ww3 h GLN 276 Ca 0.35 -0.22 -0.11 0.00 -0.15 0.00 0.00 58.65 58.52 2ww3 h GLN 276 Cb -0.01 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2ww3 h GLN 276 CO -0.11 0.78 -0.08 0.87 -2.65 0.00 0.00 178.83 177.64 2ww3 h LYS 277 N 0.64 1.01 -0.28 1.69 1.57 -0.42 -0.52 116.57 120.26 2ww3 h LYS 277 Ca 0.11 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 2ww3 h LYS 277 Cb 0.54 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2ww3 h LYS 277 CO 0.03 1.04 0.01 0.78 -0.57 0.00 0.00 179.45 180.74 2ww3 h GLY 278 N 0.96 0.52 0.44 3.86 0.00 -0.82 -1.20 103.07 106.83 2ww3 h GLY 278 Ca 0.15 -0.38 0.10 0.00 0.00 0.00 0.00 47.33 47.20 2ww3 h GLY 278 CO 0.04 0.35 0.34 1.70 0.00 0.00 0.00 176.54 178.97 2ww3 h LYS 279 N 0.28 0.56 0.35 4.80 3.64 -1.09 0.12 116.57 125.24 2ww3 h LYS 279 Ca 0.08 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2ww3 h LYS 279 Cb 0.40 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2ww3 h LYS 279 CO 0.01 0.37 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.94 2ww3 h ASP 280 N 0.58 -0.45 -0.58 4.20 3.32 -0.87 0.28 116.42 122.90 2ww3 h ASP 280 Ca 0.35 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 2ww3 h ASP 280 Cb 0.39 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 2ww3 h ASP 280 CO -0.28 -0.31 0.34 0.00 -1.72 0.00 0.00 179.24 177.27 2ww3 h ALA 281 N 0.15 1.47 -0.25 3.45 0.00 -0.84 -0.47 119.26 122.77 2ww3 h ALA 281 Ca -0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2ww3 h ALA 281 Cb 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ww3 h ALA 281 CO 0.06 0.44 -0.60 -1.49 0.00 0.00 0.00 179.25 177.67 2ww3 h TRP 282 N 0.83 1.05 -0.01 0.00 4.06 -0.51 -3.01 115.95 118.35 2ww3 h TRP 282 Ca 0.21 -0.39 -0.05 0.00 2.06 0.00 0.00 58.89 60.72 2ww3 h TRP 282 Cb 0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 2ww3 h TRP 282 CO 0.00 1.21 -0.24 -0.91 -3.56 0.00 0.00 178.44 174.94 2ww3 h ASN 283 N 0.61 0.01 -0.78 -3.49 -0.26 -0.37 0.02 115.58 111.33 2ww3 h ASN 283 Ca -0.00 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 2ww3 h ASN 283 Cb 1.21 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.43 2ww3 h ASN 283 CO 0.13 0.26 0.30 -0.61 -1.06 0.00 0.00 177.43 176.45 2ww3 h GLN 284 N 0.01 1.18 0.19 0.81 5.75 -0.97 0.29 115.11 122.37 2ww3 h GLN 284 Ca -0.00 -0.22 -0.35 0.00 -0.15 0.00 0.00 58.65 57.93 2ww3 h GLN 284 Cb 0.44 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 28.81 2ww3 h GLN 284 CO 0.03 0.96 -1.76 -0.39 -2.65 0.00 0.00 178.83 175.02 2ww3 h VAL 285 N 1.14 0.92 -0.70 2.39 -1.51 -1.47 -3.36 116.25 113.66 2ww3 h VAL 285 Ca 0.26 -2.51 -0.04 0.00 -1.23 0.00 0.00 66.70 63.18 2ww3 h VAL 285 Cb 0.23 2.75 -0.03 0.00 -2.13 0.00 0.00 31.29 32.12 2ww3 h VAL 285 CO -0.02 0.86 0.28 -0.07 -1.23 0.00 0.00 177.57 177.39 2ww3 h LEU 286 N 0.11 0.95 -0.39 4.19 3.38 -1.00 -2.81 115.31 119.74 2ww3 h LEU 286 Ca -0.35 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2ww3 h LEU 286 Cb 2.10 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2ww3 h LEU 286 CO 0.18 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.16 2ww3 n GLY 287 N -0.96 -0.94 0.32 0.83 0.00 0.09 -2.55 105.19 101.98 2ww3 n GLY 287 Ca 0.06 0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.60 1.61 1.79 -1.64 -3.38 116.57 110.35 2ww3 h LYS 288 Ca 0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 2ww3 h LYS 288 Cb 0.19 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 30.47 2ww3 h LYS 288 CO 0.00 0.01 -0.82 0.42 -1.08 0.00 0.00 179.45 177.98 2ww3 s ILE 289 N -4.21 1.59 -0.23 1.86 1.01 -1.06 0.31 121.20 120.48 2ww3 s ILE 289 Ca -0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 2ww3 s ILE 289 Cb 0.13 -1.59 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 2ww3 s ILE 289 CO 0.46 0.30 -0.03 -1.61 0.00 0.00 0.00 174.94 174.06 2ww3 s GLU 290 N 1.45 3.36 0.02 2.79 2.02 0.14 -4.93 118.70 123.54 2ww3 s GLU 290 Ca 0.02 -0.64 0.04 0.00 0.02 0.00 0.00 54.97 54.40 2ww3 s GLU 290 Cb -0.15 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.01 2ww3 s GLU 290 CO -0.09 -0.21 -0.06 0.14 0.02 0.00 0.00 175.26 175.05 2ww3 s VAL 291 N 1.48 3.68 0.19 2.63 -7.23 -1.26 0.35 120.40 120.24 2ww3 s VAL 291 Ca 0.06 -0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 59.36 2ww3 s VAL 291 Cb -0.14 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 2ww3 s VAL 291 CO -0.03 0.35 0.22 -1.61 -0.31 0.00 0.00 175.10 173.72 2ww3 s GLU 292 N -1.54 1.21 -0.74 4.82 2.02 0.61 -4.92 118.70 120.15 2ww3 s GLU 292 Ca 0.18 -1.42 -0.04 0.00 0.02 0.00 0.00 54.97 53.70 2ww3 s GLU 292 Cb -0.11 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.45 2ww3 s GLU 292 CO 0.09 -0.42 0.65 0.41 0.02 0.00 0.00 175.26 176.00 2ww3 n GLY 293 N -0.25 0.10 2.36 -1.39 0.00 -1.26 -2.19 105.19 102.56 2ww3 n GLY 293 Ca -0.02 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.30 3.46 3.99 -0.02 0.00 -1.26 -2.59 105.19 107.46 2ww3 n GLY 294 Ca -0.02 -2.03 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 2ww3 n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ww3 s ASN 295 N -2.76 5.59 0.47 1.61 2.20 -1.26 -4.95 114.94 115.85 2ww3 s ASN 295 Ca 0.16 -0.13 0.14 0.00 -0.94 0.00 0.00 52.86 52.09 2ww3 s ASN 295 Cb 0.01 -0.95 1.10 0.00 -2.00 0.00 0.00 41.25 39.40 2ww3 s ASN 295 CO 0.11 -0.84 2.07 0.25 -2.94 0.00 0.00 177.10 175.76 2ww3 h LEU 296 N 0.43 0.08 -0.41 3.54 5.85 -2.02 -1.74 115.31 121.04 2ww3 h LEU 296 Ca -0.43 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 2ww3 h LEU 296 Cb 1.28 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2ww3 h LEU 296 CO 0.51 0.13 0.08 0.44 -0.34 0.00 0.00 178.44 179.26 2ww3 h ASP 297 N 0.09 0.63 -0.38 1.25 3.32 -1.99 -2.07 116.42 117.28 2ww3 h ASP 297 Ca 0.02 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 2ww3 h ASP 297 Cb 0.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2ww3 h ASP 297 CO 0.00 0.72 -0.14 1.56 -1.72 0.00 0.00 179.24 179.66 2ww3 h GLN 298 N 0.52 0.75 -0.18 3.56 4.20 -1.73 0.81 115.11 123.05 2ww3 h GLN 298 Ca 0.13 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.55 2ww3 h GLN 298 Cb 0.34 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2ww3 h GLN 298 CO 0.00 0.92 0.01 1.88 -0.67 0.00 0.00 178.83 180.97 2ww3 h TYR 299 N 0.55 0.00 -0.62 2.96 0.05 -1.39 0.33 116.97 118.86 2ww3 h TYR 299 Ca 0.09 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.93 2ww3 h TYR 299 Cb 0.67 0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.38 2ww3 h TYR 299 CO 0.05 -0.02 0.34 0.00 -1.05 0.00 0.00 178.16 177.49 2ww3 h ARG 300 N 0.07 0.62 -0.15 4.88 3.08 -1.16 -0.94 114.38 120.78 2ww3 h ARG 300 Ca 0.08 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 2ww3 h ARG 300 Cb 0.10 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2ww3 h ARG 300 CO -0.13 0.41 -0.02 1.15 -1.07 0.00 0.00 179.97 180.31 2ww3 h THR 301 N 0.64 1.27 -0.06 2.04 2.02 -0.58 -1.42 112.91 116.83 2ww3 h THR 301 Ca 0.27 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.54 2ww3 h THR 301 Cb 0.16 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2ww3 h THR 301 CO -0.17 0.27 -0.01 0.15 0.37 0.00 0.00 175.52 176.13 2ww3 h PHE 302 N -0.01 -0.03 0.00 3.16 3.57 -0.77 -0.57 116.94 122.29 2ww3 h PHE 302 Ca 0.04 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2ww3 h PHE 302 Cb 0.42 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2ww3 h PHE 302 CO 0.04 -0.02 -0.46 1.88 -2.23 0.00 0.00 178.31 177.52 2ww3 h TYR 303 N 0.00 0.00 -0.44 0.41 0.05 -1.21 0.18 116.97 115.97 2ww3 h TYR 303 Ca 0.03 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 2ww3 h TYR 303 Cb 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2ww3 h TYR 303 CO -0.12 0.39 -0.05 0.77 -1.05 0.00 0.00 178.16 178.11 2ww3 h SER 304 N 0.00 0.80 -0.12 3.88 0.02 -1.16 -0.89 113.55 116.09 2ww3 h SER 304 Ca -0.01 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 2ww3 h SER 304 Cb 1.31 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 2ww3 h SER 304 CO 0.05 0.94 0.05 0.00 -1.14 0.00 0.00 176.83 176.74 2ww3 h LEU 306 N 0.05 1.06 -0.25 0.00 5.85 -0.96 -0.11 115.31 120.96 2ww3 h LEU 306 Ca 0.04 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2ww3 h LEU 306 Cb 0.16 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2ww3 h LEU 306 CO -0.00 0.77 0.13 0.22 -0.34 0.00 0.00 178.44 179.22 2ww3 h TYR 307 N 1.24 0.25 0.00 1.25 3.20 -1.00 -1.72 116.97 120.19 2ww3 h TYR 307 Ca 0.33 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2ww3 h TYR 307 Cb -0.13 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2ww3 h TYR 307 CO 0.00 0.14 0.00 0.00 -1.64 0.00 0.00 178.16 176.66 2ww3 h ARG 308 N 0.28 0.00 -0.01 1.82 2.47 -0.17 -1.78 114.38 116.99 2ww3 h ARG 308 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2ww3 h ARG 308 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2ww3 h ARG 308 CO -0.06 0.00 -0.05 0.43 0.56 0.00 0.00 179.97 180.85 2ww3 n SER 309 N -2.74 0.92 -0.48 7.04 7.64 -0.16 -3.76 113.62 122.08 2ww3 n SER 309 Ca -0.01 -1.14 0.07 0.00 1.01 0.00 0.00 58.87 58.80 2ww3 n SER 309 Cb 0.15 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.52 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 -0.39 2.46 -0.03 -3.43 4.77 -0.67 -4.68 117.00 115.03 2ww3 n LEU 310 Ca 0.18 -3.51 -0.03 0.00 -0.03 0.00 0.00 56.01 52.62 2ww3 n LEU 310 Cb 0.29 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2ww3 n LEU 310 CO 0.19 1.13 -0.68 0.18 -1.33 0.00 0.00 177.39 176.88 2ww3 n LEU 311 N -1.11 1.28 -4.21 2.23 4.77 -1.25 -0.52 117.00 118.18 2ww3 n LEU 311 Ca 0.17 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.89 2ww3 n LEU 311 Cb 0.70 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 41.62 2ww3 n LEU 311 CO -0.02 0.33 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.50 2ww3 s PHE 312 N -2.13 1.67 0.51 -1.77 0.40 -1.26 -3.53 117.98 111.87 2ww3 s PHE 312 Ca -0.05 -0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 55.75 2ww3 s PHE 312 Cb 0.02 -1.01 -0.08 0.00 0.51 0.00 0.00 43.02 42.46 2ww3 s PHE 312 CO 0.18 0.05 0.99 -1.25 0.70 0.00 0.00 175.22 175.89 2ww3 s PRO 313 N -0.96 3.89 0.76 0.24 0.04 -1.26 -4.95 135.00 132.76 2ww3 s PRO 313 Ca 0.06 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 2ww3 s PRO 313 Cb -0.08 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.38 2ww3 s PRO 313 CO 0.01 -0.32 1.08 -0.98 0.04 0.00 0.00 177.00 176.83 2ww3 s ARG 314 N -3.91 2.39 0.34 4.56 1.70 0.30 -4.66 118.95 119.68 2ww3 s ARG 314 Ca 0.60 1.05 -0.29 0.00 -0.47 0.00 0.00 55.73 56.63 2ww3 s ARG 314 Cb -0.11 -1.92 -0.11 0.00 -0.57 0.00 0.00 34.95 32.24 2ww3 s ARG 314 CO 0.29 -1.51 1.41 0.15 -1.08 0.00 0.00 175.30 174.55 2ww3 s LYS 315 N -4.96 4.24 -0.07 3.89 1.02 -0.11 -2.34 119.74 121.41 2ww3 s LYS 315 Ca 0.60 2.38 0.10 0.00 0.02 0.00 0.00 55.97 59.07 2ww3 s LYS 315 Cb -0.16 -3.03 0.15 0.00 -0.52 0.00 0.00 37.83 34.26 2ww3 s LYS 315 CO 0.56 -0.37 1.04 0.34 -0.92 0.00 0.00 175.35 176.00 2ww3 n PHE 316 N 0.88 0.00 -4.33 3.18 7.35 0.30 -4.01 117.46 120.83 2ww3 n PHE 316 Ca 0.01 -0.57 -0.25 0.00 -0.76 0.00 0.00 57.45 55.89 2ww3 n PHE 316 Cb 0.40 -0.10 -0.12 0.00 0.35 0.00 0.00 39.48 40.01 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 -1.58 1.95 0.19 -5.13 -0.85 -1.15 -4.51 117.35 106.27 2ww3 s TYR 317 Ca 0.16 -0.41 0.10 0.00 -0.52 0.00 0.00 57.07 56.40 2ww3 s TYR 317 Cb 0.14 -1.04 -0.04 0.00 0.38 0.00 0.00 41.96 41.40 2ww3 s TYR 317 CO 0.02 0.28 -0.20 -1.21 -1.52 0.00 0.00 175.55 172.91 2ww3 s GLU 318 N -2.17 1.40 -0.01 -3.49 2.02 0.87 -4.87 118.70 112.44 2ww3 s GLU 318 Ca 0.11 -1.49 -0.21 0.00 0.02 0.00 0.00 54.97 53.40 2ww3 s GLU 318 Cb -0.09 -1.56 -0.05 0.00 0.10 0.00 0.00 34.13 32.53 2ww3 s GLU 318 CO 0.06 0.32 0.63 -0.51 0.02 0.00 0.00 175.26 175.78 2ww3 s LEU 319 N -2.76 4.40 0.00 1.80 2.01 -1.26 -0.96 118.68 121.90 2ww3 s LEU 319 Ca 0.19 1.19 -0.04 0.00 0.01 0.00 0.00 54.13 55.48 2ww3 s LEU 319 Cb -0.06 -2.98 0.12 0.00 0.01 0.00 0.00 46.19 43.27 2ww3 s LEU 319 CO 0.09 0.05 0.75 -0.90 1.01 0.00 0.00 176.35 177.34 2ww3 n ASP 320 N 2.96 0.66 -0.34 2.29 5.68 -0.32 -4.88 116.55 122.61 2ww3 n ASP 320 Ca -0.05 -1.64 0.25 0.00 -0.50 0.00 0.00 54.79 52.85 2ww3 n ASP 320 Cb 0.51 -0.52 0.53 0.00 -1.14 0.00 0.00 41.12 40.50 2ww3 n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ww3 h ALA 321 N -0.96 2.29 -0.01 2.12 0.00 -1.98 -0.14 119.26 120.59 2ww3 h ALA 321 Ca -0.25 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ww3 h ALA 321 Cb 0.82 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ww3 h ALA 321 CO 0.23 -0.73 -0.16 0.09 0.00 0.00 0.00 179.25 178.67 2ww3 n ASN 322 N -4.65 0.71 0.00 0.00 3.02 -1.26 -4.90 115.26 108.18 2ww3 n ASN 322 Ca 0.27 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2ww3 n ASN 322 Cb 0.96 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.13 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 1.30 0.52 3.87 7.41 0.00 -0.06 -5.05 105.19 113.17 2ww3 n GLY 323 Ca 0.14 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.36 3.60 0.26 1.61 -1.52 -1.26 -4.81 119.66 116.17 2ww3 s GLN 324 Ca 0.00 0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.15 2ww3 s GLN 324 Cb 0.00 -3.19 -0.10 0.00 -0.22 0.00 0.00 33.01 29.51 2ww3 s GLN 324 CO 0.00 0.74 1.30 -1.25 -0.25 0.00 0.00 175.29 175.83 2ww3 s PRO 325 N -1.11 4.39 0.06 2.91 0.04 -1.26 -1.17 135.00 138.86 2ww3 s PRO 325 Ca 0.19 2.11 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 2ww3 s PRO 325 Cb -0.14 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2ww3 s PRO 325 CO 0.08 -0.20 0.20 0.96 0.04 0.00 0.00 177.00 178.08 2ww3 s ILE 326 N -0.47 0.12 -0.02 0.56 -4.36 -0.14 -1.38 121.20 115.52 2ww3 s ILE 326 Ca 0.53 -0.99 -0.11 0.00 -0.26 0.00 0.00 60.65 59.82 2ww3 s ILE 326 Cb -0.38 -1.06 0.01 0.00 1.25 0.00 0.00 42.46 42.28 2ww3 s ILE 326 CO 0.44 -0.55 0.23 -1.38 0.24 0.00 0.00 174.94 173.93 2ww3 s HIS 327 N -3.02 -0.11 0.29 1.37 -3.43 0.52 -0.09 115.29 110.82 2ww3 s HIS 327 Ca -0.02 0.17 -0.29 0.00 -0.80 0.00 0.00 55.06 54.13 2ww3 s HIS 327 Cb 0.01 0.04 -0.10 0.00 -1.43 0.00 0.00 32.58 31.10 2ww3 s HIS 327 CO -0.06 -0.31 1.18 -0.47 -2.00 0.00 0.00 174.74 173.08 2ww3 s TYR 328 N -1.10 3.39 -0.37 0.38 5.04 -1.26 -0.38 117.35 123.04 2ww3 s TYR 328 Ca -0.12 1.59 -0.15 0.00 -2.44 0.00 0.00 57.07 55.95 2ww3 s TYR 328 Cb -0.06 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.83 2ww3 s TYR 328 CO 0.03 -1.03 0.36 0.45 -1.34 0.00 0.00 175.55 174.01 2ww3 s SER 329 N -0.70 6.16 0.55 4.32 0.15 0.19 -4.92 113.70 119.45 2ww3 s SER 329 Ca 0.46 -0.46 0.32 0.00 0.70 0.00 0.00 55.95 56.97 2ww3 s SER 329 Cb -0.35 -2.19 1.56 0.00 -1.71 0.00 0.00 66.02 63.33 2ww3 s SER 329 CO 0.45 -0.41 2.08 1.55 1.20 0.00 0.00 173.24 178.11 2ww3 h PRO 330 N 8.56 0.00 0.25 5.44 0.13 -1.88 0.36 132.00 144.86 2ww3 h PRO 330 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2ww3 h PRO 330 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2ww3 h PRO 330 CO 0.72 0.07 -0.12 1.88 -0.23 0.00 0.00 178.00 180.32 2ww3 h TYR 331 N 0.00 -0.31 -0.03 1.56 0.05 -1.89 -3.19 116.97 113.17 2ww3 h TYR 331 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2ww3 h TYR 331 Cb 0.37 0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2ww3 h TYR 331 CO 0.00 -0.01 0.00 0.27 -1.05 0.00 0.00 178.16 177.37 2ww3 n ASN 332 N -4.99 2.25 0.00 3.88 0.23 -1.22 -4.78 115.26 110.63 2ww3 n ASN 332 Ca -0.07 -2.46 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 2ww3 n ASN 332 Cb 0.22 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 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 -0.81 0.38 3.93 4.83 0.00 0.13 -4.98 105.19 108.67 2ww3 n GLY 333 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.74 3.17 -0.25 1.61 -0.21 -1.25 -4.68 119.66 117.30 2ww3 s GLN 334 Ca 0.00 -0.22 -0.09 0.00 0.02 0.00 0.00 55.36 55.08 2ww3 s GLN 334 Cb 0.00 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 2ww3 s GLN 334 CO 0.00 -0.32 0.11 0.08 -2.12 0.00 0.00 175.29 173.04 2ww3 s VAL 335 N -2.67 4.72 0.00 1.09 1.01 -1.26 0.53 120.40 123.82 2ww3 s VAL 335 Ca 0.49 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 2ww3 s VAL 335 Cb -0.10 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.06 2ww3 s VAL 335 CO 0.41 0.33 0.10 -0.76 0.00 0.00 0.00 175.10 175.17 2ww3 s LEU 336 N 1.49 1.71 0.33 3.92 1.43 0.49 -4.92 118.68 123.12 2ww3 s LEU 336 Ca 0.06 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 2ww3 s LEU 336 Cb -0.15 0.53 -0.12 0.00 0.03 0.00 0.00 46.19 46.49 2ww3 s LEU 336 CO 0.06 -0.34 1.49 -0.81 0.23 0.00 0.00 176.35 176.98 2ww3 n PRO 337 N 1.55 2.55 0.00 1.29 -0.04 -1.26 -0.35 135.00 138.74 2ww3 n PRO 337 Ca -0.23 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 2ww3 n PRO 337 Cb 0.56 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2ww3 n PRO 337 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww3 n GLY 338 N 1.30 2.17 3.77 0.55 0.00 -0.48 -4.86 105.19 107.65 2ww3 n GLY 338 Ca 0.05 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.13 2.65 -0.29 1.61 2.02 -1.26 -3.97 117.35 115.98 2ww3 s TYR 339 Ca 0.00 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.07 2ww3 s TYR 339 Cb 0.00 -3.03 0.14 0.00 -0.40 0.00 0.00 41.96 38.67 2ww3 s TYR 339 CO 0.00 -1.74 0.89 1.41 -1.57 0.00 0.00 175.55 174.54 2ww3 s MET 340 N -4.93 0.43 0.24 -0.62 -2.45 -1.26 -4.04 119.30 106.67 2ww3 s MET 340 Ca 0.61 0.87 0.04 0.00 -1.25 0.00 0.00 55.69 55.96 2ww3 s MET 340 Cb -0.17 0.30 -0.05 0.00 1.25 0.00 0.00 34.83 36.16 2ww3 s MET 340 CO 0.56 -0.11 -0.02 -0.06 1.05 0.00 0.00 175.02 176.43 2ww3 s PHE 341 N 1.92 1.67 0.14 4.11 0.40 -1.26 0.11 117.98 125.07 2ww3 s PHE 341 Ca -0.07 -0.85 -0.11 0.00 -0.60 0.00 0.00 56.93 55.30 2ww3 s PHE 341 Cb -0.06 -0.96 0.04 0.00 0.51 0.00 0.00 43.02 42.55 2ww3 s PHE 341 CO -0.17 0.06 0.56 -2.37 0.70 0.00 0.00 175.22 174.00 2ww3 n THR 342 N -0.46 0.00 -2.64 0.64 5.66 -0.99 -4.85 114.28 111.63 2ww3 n THR 342 Ca -0.05 -0.39 -0.09 0.00 -3.05 0.00 0.00 64.05 60.46 2ww3 n THR 342 Cb 0.64 0.48 0.05 0.00 -1.55 0.00 0.00 70.33 69.94 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 -1.08 -4.03 -3.68 1.09 8.00 -0.23 -0.54 116.55 116.08 2ww3 n ASP 343 Ca -0.02 -0.41 -0.12 0.00 0.71 0.00 0.00 54.79 54.95 2ww3 n ASP 343 Cb 0.34 -3.34 -0.06 0.00 -0.02 0.00 0.00 41.12 38.04 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 -3.23 0.07 -0.24 -3.53 -1.32 -1.14 -4.46 115.64 101.79 2ww3 s THR 344 Ca 0.20 -0.58 -0.02 0.00 -1.21 0.00 0.00 61.69 60.09 2ww3 s THR 344 Cb -0.03 -1.03 0.02 0.00 -1.51 0.00 0.00 72.50 69.95 2ww3 s THR 344 CO 0.45 -0.32 -0.06 -0.83 -2.21 0.00 0.00 174.62 171.64 2ww3 s GLY 345 N -2.29 1.62 0.51 6.08 0.00 -1.26 -2.31 107.32 109.66 2ww3 s GLY 345 Ca -0.02 -1.44 0.19 0.00 0.00 0.00 0.00 44.72 43.45 2ww3 s GLY 345 CO -0.06 0.51 2.12 0.74 0.00 0.00 0.00 173.10 176.41 2ww3 h PHE 346 N 8.02 0.00 -1.00 1.90 0.04 -1.51 0.79 116.94 125.17 2ww3 h PHE 346 Ca -0.34 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.65 2ww3 h PHE 346 Cb 1.11 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.15 2ww3 h PHE 346 CO 0.57 0.06 0.61 2.35 -0.60 0.00 0.00 178.31 181.31 2ww3 h TRP 347 N 0.00 1.02 0.00 -0.55 7.01 -1.81 -1.49 115.95 120.13 2ww3 h TRP 347 Ca -0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2ww3 h TRP 347 Cb 0.12 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 2ww3 h TRP 347 CO 0.00 0.17 -0.09 -0.44 -2.79 0.00 0.00 178.44 175.29 2ww3 h ASP 348 N 0.68 0.00 0.41 2.65 3.45 -1.34 -3.43 116.42 118.84 2ww3 h ASP 348 Ca 0.60 -0.49 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2ww3 h ASP 348 Cb 1.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 2ww3 h ASP 348 CO -0.40 0.80 -0.26 0.35 -1.57 0.00 0.00 179.24 178.15 2ww3 n THR 349 N -4.68 0.00 0.20 0.35 -2.24 0.06 -3.29 114.28 104.68 2ww3 n THR 349 Ca -0.07 -0.06 0.04 0.00 -2.27 0.00 0.00 64.05 61.69 2ww3 n THR 349 Cb 0.27 0.14 0.40 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.58 0.00 -0.02 4.78 -0.00 -1.53 -2.32 116.94 118.43 2ww3 h PHE 350 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.98 2ww3 h PHE 350 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.41 2ww3 h PHE 350 CO 0.00 0.34 -0.02 0.00 -0.00 0.00 0.00 178.31 178.63 2ww3 h ARG 351 N 0.00 -0.02 0.00 6.09 3.08 -1.79 -3.42 114.38 118.31 2ww3 h ARG 351 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ww3 h ARG 351 Cb 0.63 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2ww3 h ARG 351 CO 0.04 -0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2ww3 h LEU 353 N 0.00 -0.32 -0.98 0.00 7.12 -1.80 0.94 115.31 120.27 2ww3 h LEU 353 Ca 0.00 -0.14 -0.10 0.00 0.13 0.00 0.00 57.88 57.77 2ww3 h LEU 353 Cb 0.00 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.20 2ww3 h LEU 353 CO 0.00 -0.03 -0.34 -0.26 -0.13 0.00 0.00 178.44 177.68 2ww3 h PHE 354 N -0.61 0.36 -0.87 1.25 0.04 -1.68 -2.23 116.94 113.19 2ww3 h PHE 354 Ca -0.04 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.62 2ww3 h PHE 354 Cb 0.44 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 2ww3 h PHE 354 CO 0.00 0.62 0.44 -1.35 -0.60 0.00 0.00 178.31 177.43 2ww3 h PRO 355 N 0.27 1.23 -0.44 1.51 0.11 -1.80 0.52 132.00 133.39 2ww3 h PRO 355 Ca 0.03 -0.16 0.07 0.00 0.11 0.00 0.00 66.00 66.05 2ww3 h PRO 355 Cb 0.74 -0.23 -0.06 0.00 0.11 0.00 0.00 31.00 31.56 2ww3 h PRO 355 CO 0.06 0.92 0.10 1.25 -0.21 0.00 0.00 178.00 180.12 2ww3 h LEU 356 N 1.22 0.03 -0.19 2.35 5.85 -0.22 -0.78 115.31 123.57 2ww3 h LEU 356 Ca 0.30 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.11 2ww3 h LEU 356 Cb 0.08 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2ww3 h LEU 356 CO -0.04 0.05 0.08 -0.07 -0.34 0.00 0.00 178.44 178.12 2ww3 h LEU 357 N 0.23 0.11 -2.52 2.25 3.38 -1.00 0.89 115.31 118.66 2ww3 h LEU 357 Ca 0.22 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2ww3 h LEU 357 Cb 0.27 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ww3 h LEU 357 CO -0.28 0.09 0.11 0.78 0.09 0.00 0.00 178.44 179.24 2ww3 h ASN 358 N 0.18 0.00 0.05 -0.43 -0.26 -0.24 0.22 115.58 115.10 2ww3 h ASN 358 Ca 0.08 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.51 2ww3 h ASN 358 Cb 0.03 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.26 2ww3 h ASN 358 CO -0.07 0.00 -1.71 -0.11 -1.06 0.00 0.00 177.43 174.48 2ww3 n LEU 359 N -3.37 2.22 -0.03 1.61 7.94 -0.36 -4.44 117.00 120.56 2ww3 n LEU 359 Ca -0.02 0.31 -0.01 0.00 -1.11 0.00 0.00 56.01 55.18 2ww3 n LEU 359 Cb 0.20 -1.01 -0.08 0.00 0.53 0.00 0.00 43.42 43.06 2ww3 n LEU 359 CO 0.22 0.56 -0.74 0.23 -1.11 0.00 0.00 177.39 176.55 2ww3 n MET 360 N -4.00 1.60 -2.73 1.96 2.81 0.21 -4.75 117.12 112.21 2ww3 n MET 360 Ca -0.35 -0.04 -0.19 0.00 -1.81 0.00 0.00 57.70 55.31 2ww3 n MET 360 Cb 0.85 -1.25 -0.00 0.00 -0.71 0.00 0.00 33.22 32.12 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 -2.16 2.19 -0.01 2.03 4.01 0.60 -4.47 117.16 119.35 2ww3 n TYR 361 Ca -0.10 -3.26 0.08 0.00 -0.16 0.00 0.00 57.90 54.46 2ww3 n TYR 361 Cb 0.60 -0.31 0.48 0.00 -0.31 0.00 0.00 39.34 39.81 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 2.86 0.42 -0.87 -0.72 0.13 -1.31 -0.85 132.00 131.66 2ww3 h PRO 362 Ca 0.10 -0.03 0.11 0.00 -0.87 0.00 0.00 66.00 65.31 2ww3 h PRO 362 Cb 0.95 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 31.92 2ww3 h PRO 362 CO 0.66 0.28 0.57 0.66 -0.23 0.00 0.00 178.00 179.94 2ww3 h SER 363 N 0.43 0.75 0.62 1.44 4.64 -1.90 -0.35 113.55 119.17 2ww3 h SER 363 Ca 0.19 0.03 -0.28 0.00 -0.47 0.00 0.00 61.79 61.26 2ww3 h SER 363 Cb 0.22 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2ww3 h SER 363 CO -0.05 0.43 -1.27 0.58 -0.87 0.00 0.00 176.83 175.66 2ww3 h VAL 364 N 0.82 1.47 -0.00 0.95 2.07 -1.52 -3.19 116.25 116.85 2ww3 h VAL 364 Ca 0.41 -3.05 -0.17 0.00 0.82 0.00 0.00 66.70 64.72 2ww3 h VAL 364 Cb 0.47 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 2ww3 h VAL 364 CO -0.18 0.89 -0.77 -1.13 0.02 0.00 0.00 177.57 176.40 2ww3 h ASN 365 N 0.07 0.06 -1.00 0.57 -1.24 -1.30 -2.05 115.58 110.68 2ww3 h ASN 365 Ca -0.14 -0.04 0.18 0.00 0.71 0.00 0.00 56.30 57.01 2ww3 h ASN 365 Cb 1.98 -0.02 -0.10 0.00 0.73 0.00 0.00 38.32 40.90 2ww3 h ASN 365 CO 0.20 0.81 0.62 0.50 -1.29 0.00 0.00 177.43 178.26 2ww3 h LYS 366 N 0.03 0.76 -0.39 6.67 1.63 -1.10 0.48 116.57 124.65 2ww3 h LYS 366 Ca -0.01 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.61 2ww3 h LYS 366 Cb 1.36 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 2ww3 h LYS 366 CO 0.10 0.50 -0.26 0.93 -3.45 0.00 0.00 179.45 177.28 2ww3 h GLU 367 N 0.78 0.86 -0.61 1.90 5.08 -1.46 -3.02 114.58 118.11 2ww3 h GLU 367 Ca 0.57 -0.41 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2ww3 h GLU 367 Cb 0.86 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2ww3 h GLU 367 CO -0.36 1.05 0.13 0.52 -1.00 0.00 0.00 179.01 179.35 2ww3 h MET 368 N 0.67 0.99 -0.10 2.33 2.86 -0.04 -2.00 114.93 119.64 2ww3 h MET 368 Ca 0.08 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 2ww3 h MET 368 Cb 0.83 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2ww3 h MET 368 CO 0.07 0.91 -0.25 1.96 1.06 0.00 0.00 176.91 180.66 2ww3 h GLN 369 N 0.90 0.18 -0.63 1.72 1.08 -0.25 0.08 115.11 118.19 2ww3 h GLN 369 Ca 0.19 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2ww3 h GLN 369 Cb 0.38 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2ww3 h GLN 369 CO 0.01 0.43 0.21 0.93 -0.95 0.00 0.00 178.83 179.45 2ww3 h GLU 370 N 0.16 0.95 -0.69 1.46 4.39 -1.31 -1.68 114.58 117.86 2ww3 h GLU 370 Ca 0.03 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2ww3 h GLU 370 Cb 0.54 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2ww3 h GLU 370 CO 0.04 0.81 0.25 0.78 -1.16 0.00 0.00 179.01 179.73 2ww3 h GLY 371 N 1.03 1.11 0.96 -3.84 0.00 -0.41 -1.92 103.07 100.00 2ww3 h GLY 371 Ca 0.21 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2ww3 h GLY 371 CO -0.01 0.57 0.11 1.41 0.00 0.00 0.00 176.54 178.62 2ww3 h LEU 372 N 1.01 0.70 -0.68 3.11 3.38 -0.57 0.45 115.31 122.70 2ww3 h LEU 372 Ca 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2ww3 h LEU 372 Cb 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2ww3 h LEU 372 CO -0.02 0.75 0.35 0.40 0.09 0.00 0.00 178.44 180.02 2ww3 h ILE 373 N 0.61 1.22 0.00 1.22 1.08 -1.07 -1.55 117.51 119.03 2ww3 h ILE 373 Ca 0.14 -0.59 -0.04 0.00 -0.39 0.00 0.00 64.86 63.98 2ww3 h ILE 373 Cb 0.33 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 2ww3 h ILE 373 CO 0.00 0.25 -0.19 0.78 -0.69 0.00 0.00 178.15 178.30 2ww3 h ASN 374 N 0.95 0.00 -0.53 1.72 -0.26 -1.07 -1.95 115.58 114.44 2ww3 h ASN 374 Ca 0.24 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.88 2ww3 h ASN 374 Cb 0.08 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 2ww3 h ASN 374 CO -0.03 0.19 -0.04 0.74 -1.06 0.00 0.00 177.43 177.23 2ww3 h THR 375 N 0.00 1.27 -0.29 2.81 2.02 0.04 -2.40 112.91 116.35 2ww3 h THR 375 Ca -0.00 -1.17 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 2ww3 h THR 375 Cb 0.35 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2ww3 h THR 375 CO 0.03 0.41 -0.04 0.22 0.37 0.00 0.00 175.52 176.51 2ww3 h TYR 376 N 0.83 0.60 -0.65 3.16 3.20 -0.74 -2.07 116.97 121.30 2ww3 h TYR 376 Ca 0.14 -0.12 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2ww3 h TYR 376 Cb 0.59 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 2ww3 h TYR 376 CO 0.04 0.71 0.28 -0.07 -1.64 0.00 0.00 178.16 177.48 2ww3 h LEU 377 N 0.32 0.86 0.00 2.82 3.38 -1.38 0.99 115.31 122.30 2ww3 h LEU 377 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ww3 h LEU 377 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2ww3 h LEU 377 CO 0.02 0.75 -0.52 -0.33 0.09 0.00 0.00 178.44 178.45 2ww3 h GLU 378 N 0.93 0.00 0.00 1.13 5.08 -1.33 -3.37 114.58 117.02 2ww3 h GLU 378 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2ww3 h GLU 378 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2ww3 h GLU 378 CO -0.02 0.00 -0.27 -1.13 -1.00 0.00 0.00 179.01 176.59 2ww3 n SER 379 N -2.32 1.35 0.00 1.42 3.41 -0.79 -4.20 113.62 112.49 2ww3 n SER 379 Ca 0.03 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2ww3 n SER 379 Cb 0.46 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 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 1.02 2.37 3.08 5.00 0.00 0.34 -5.00 105.19 111.99 2ww3 n GLY 380 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.79 1.37 0.40 1.61 0.40 -1.23 -4.92 117.98 112.81 2ww3 s PHE 381 Ca 0.00 -0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 55.71 2ww3 s PHE 381 Cb 0.00 -0.94 -0.08 0.00 0.51 0.00 0.00 43.02 42.51 2ww3 s PHE 381 CO 0.00 -0.13 1.20 -0.06 0.70 0.00 0.00 175.22 176.94 2ww3 s PHE 382 N 0.07 3.01 0.76 0.36 0.08 -1.26 -3.91 117.98 117.10 2ww3 s PHE 382 Ca -0.03 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.43 2ww3 s PHE 382 Cb -0.10 -3.47 0.05 0.00 -0.57 0.00 0.00 43.02 38.93 2ww3 s PHE 382 CO 0.01 -1.51 1.09 -1.25 -0.10 0.00 0.00 175.22 173.46 2ww3 s PRO 383 N -2.26 2.37 0.03 0.24 0.04 -1.26 -4.60 135.00 129.56 2ww3 s PRO 383 Ca 0.57 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2ww3 s PRO 383 Cb -0.33 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2ww3 s PRO 383 CO 0.41 -1.42 0.00 0.39 0.04 0.00 0.00 177.00 176.43 2ww3 n GLU 384 N -3.29 0.00 -3.95 4.56 -0.58 -1.26 -4.65 120.64 111.47 2ww3 n GLU 384 Ca 0.07 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.46 2ww3 n GLU 384 Cb 0.56 -0.11 -0.12 0.00 -0.57 0.00 0.00 31.44 31.20 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 -1.24 3.07 -0.09 -0.32 -0.00 -1.26 -1.16 118.94 117.94 2ww3 s TRP 385 Ca 0.00 -0.42 -0.00 0.00 -0.00 0.00 0.00 56.10 55.68 2ww3 s TRP 385 Cb 0.00 -2.14 0.02 0.00 -0.00 0.00 0.00 33.47 31.35 2ww3 s TRP 385 CO 0.00 -0.26 -0.05 0.00 -0.00 0.00 0.00 176.95 176.63 2ww3 s ALA 386 N 1.19 1.05 -0.45 5.86 0.00 -0.98 -1.85 121.76 126.57 2ww3 s ALA 386 Ca 0.04 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.72 2ww3 s ALA 386 Cb -0.14 -0.77 0.19 0.00 0.00 0.00 0.00 23.12 22.39 2ww3 s ALA 386 CO 0.02 -0.33 0.71 0.45 0.00 0.00 0.00 175.76 176.61 2ww3 s SER 387 N 1.59 -1.40 0.12 0.00 0.15 -1.26 -1.07 113.70 111.83 2ww3 s SER 387 Ca 0.01 -1.15 0.16 0.00 0.70 0.00 0.00 55.95 55.67 2ww3 s SER 387 Cb -0.13 1.81 -0.08 0.00 -1.71 0.00 0.00 66.02 65.91 2ww3 s SER 387 CO -0.05 -0.11 1.02 1.55 1.20 0.00 0.00 173.24 176.86 2ww3 h PRO 388 N 5.97 0.00 0.00 5.44 0.13 -1.78 -3.43 132.00 138.32 2ww3 h PRO 388 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2ww3 h PRO 388 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2ww3 h PRO 388 CO 0.05 0.39 0.00 0.41 -0.23 0.00 0.00 178.00 178.62 2ww3 n GLY 389 N 1.35 2.30 3.68 1.56 0.00 0.01 -4.67 105.19 109.41 2ww3 n GLY 389 Ca -0.06 -2.11 -0.46 0.00 0.00 0.00 0.00 46.02 43.39 2ww3 n GLY 389 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ww3 n HIS 390 N -0.62 2.33 -4.26 1.61 8.25 -1.26 -4.27 115.22 117.00 2ww3 n HIS 390 Ca 0.00 0.19 -0.20 0.00 -0.26 0.00 0.00 57.72 57.44 2ww3 n HIS 390 Cb 0.00 -2.58 -0.12 0.00 1.12 0.00 0.00 29.99 28.41 2ww3 n HIS 390 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2ww3 s ARG 391 N 1.53 1.08 -0.54 -0.41 1.81 -0.77 -4.28 118.95 117.36 2ww3 s ARG 391 Ca 0.81 -1.21 -0.24 0.00 -1.72 0.00 0.00 55.73 53.37 2ww3 s ARG 391 Cb -0.66 -1.12 0.04 0.00 -0.45 0.00 0.00 34.95 32.77 2ww3 s ARG 391 CO 0.40 0.24 0.91 0.20 -0.68 0.00 0.00 175.30 176.36 2ww3 s GLY 392 N -2.25 1.45 -0.29 -3.53 0.00 -1.26 -4.53 107.32 96.92 2ww3 s GLY 392 Ca 0.08 -1.26 -0.21 0.00 0.00 0.00 0.00 44.72 43.33 2ww3 s GLY 392 CO 0.04 1.99 1.01 0.00 0.00 0.00 0.00 173.10 176.14 2ww3 n MET 394 N 2.87 0.00 -1.52 0.00 2.81 -1.26 -4.67 117.12 115.34 2ww3 n MET 394 Ca -0.15 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.73 2ww3 n MET 394 Cb 0.57 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.08 2ww3 n MET 394 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2ww3 n VAL 395 N 0.00 0.00 0.00 2.03 0.24 -1.26 -4.71 118.33 114.63 2ww3 n VAL 395 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2ww3 n VAL 395 Cb 0.00 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2ww3 n VAL 395 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ww3 n GLY 396 N -0.02 -1.35 2.18 7.63 0.00 -1.26 -4.60 105.19 107.77 2ww3 n GLY 396 Ca -0.00 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.81 4.71 0.09 1.61 4.05 -1.26 -4.88 115.26 117.77 2ww3 n ASN 397 Ca 0.00 -3.67 0.09 0.00 0.45 0.00 0.00 54.58 51.44 2ww3 n ASN 397 Cb 0.00 -0.38 0.40 0.00 1.23 0.00 0.00 39.78 41.03 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 -0.63 0.39 -0.36 1.20 5.03 -1.26 -1.85 115.26 117.78 2ww3 n ASN 398 Ca 0.41 0.63 0.34 0.00 0.87 0.00 0.00 54.58 56.83 2ww3 n ASN 398 Cb 0.87 -0.70 0.69 0.00 -1.02 0.00 0.00 39.78 39.63 2ww3 n ASN 398 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2ww3 h SER 399 N 0.00 0.12 -0.35 6.41 4.64 -1.90 0.58 113.55 123.06 2ww3 h SER 399 Ca 0.00 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 2ww3 h SER 399 Cb 0.17 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2ww3 h SER 399 CO 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.95 2ww3 h ALA 400 N 1.44 1.16 0.04 5.18 0.00 -1.72 -0.08 119.26 125.28 2ww3 h ALA 400 Ca 0.62 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2ww3 h ALA 400 Cb 2.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.85 2ww3 h ALA 400 CO -0.11 0.54 -0.02 1.03 0.00 0.00 0.00 179.25 180.70 2ww3 h SER 401 N 0.67 -0.04 0.08 0.00 0.87 -0.08 -0.65 113.55 114.41 2ww3 h SER 401 Ca 0.13 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2ww3 h SER 401 Cb 0.43 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.35 2ww3 h SER 401 CO 0.02 0.25 -0.49 0.40 -0.53 0.00 0.00 176.83 176.48 2ww3 h ILE 402 N -0.34 0.06 -0.38 2.23 1.08 -0.97 -0.89 117.51 118.31 2ww3 h ILE 402 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 2ww3 h ILE 402 Cb 0.31 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 2ww3 h ILE 402 CO 0.01 0.00 0.23 -0.07 -0.69 0.00 0.00 178.15 177.63 2ww3 h LEU 403 N -0.69 0.45 -0.20 1.44 3.38 -1.01 -1.79 115.31 116.89 2ww3 h LEU 403 Ca 0.01 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2ww3 h LEU 403 Cb 0.72 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2ww3 h LEU 403 CO -0.29 0.36 -0.25 0.58 0.09 0.00 0.00 178.44 178.93 2ww3 h VAL 404 N 0.50 1.33 -0.33 1.22 2.07 -0.99 -1.15 116.25 118.91 2ww3 h VAL 404 Ca 0.14 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.23 2ww3 h VAL 404 Cb -0.01 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2ww3 h VAL 404 CO -0.03 0.44 0.18 -0.78 0.02 0.00 0.00 177.57 177.40 2ww3 h ASP 405 N 0.18 0.28 0.19 0.57 3.58 -1.10 0.27 116.42 120.39 2ww3 h ASP 405 Ca 0.02 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.49 2ww3 h ASP 405 Cb 0.81 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 2ww3 h ASP 405 CO 0.06 0.20 -0.52 0.00 -2.88 0.00 0.00 179.24 176.10 2ww3 h ALA 406 N 1.15 -1.03 -0.28 -0.78 0.00 -1.25 -1.89 119.26 115.18 2ww3 h ALA 406 Ca 0.13 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2ww3 h ALA 406 Cb 0.02 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 2ww3 h ALA 406 CO -0.07 -1.14 -0.11 -0.92 0.00 0.00 0.00 179.25 177.01 2ww3 h TYR 407 N -0.79 -0.25 0.00 0.00 5.03 -0.74 -0.40 116.97 119.82 2ww3 h TYR 407 Ca -0.02 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 2ww3 h TYR 407 Cb 0.77 0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.21 2ww3 h TYR 407 CO -0.42 -0.17 -0.02 0.52 -1.32 0.00 0.00 178.16 176.75 2ww3 h MET 408 N -0.05 0.00 -0.62 1.82 2.86 -0.37 -1.46 114.93 117.10 2ww3 h MET 408 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2ww3 h MET 408 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2ww3 h MET 408 CO -0.32 0.02 0.00 1.63 1.06 0.00 0.00 176.91 179.30 2ww3 n LYS 409 N -3.19 4.39 -0.95 1.72 5.02 -0.58 -4.90 118.16 119.67 2ww3 n LYS 409 Ca -0.01 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 2ww3 n LYS 409 Cb 0.18 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 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 0.81 0.50 3.12 0.72 0.00 -0.55 -4.97 105.19 104.82 2ww3 n GLY 410 Ca 0.26 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2ww3 n GLY 410 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ww3 n VAL 411 N -2.95 4.89 -3.56 1.61 0.31 -0.26 -5.02 118.33 113.35 2ww3 n VAL 411 Ca 0.00 -5.68 -0.36 0.00 -0.01 0.00 0.00 64.34 58.29 2ww3 n VAL 411 Cb 0.00 -2.29 -0.07 0.00 -0.91 0.00 0.00 33.84 30.57 2ww3 n VAL 411 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ww3 s LYS 412 N -2.16 4.25 0.89 5.55 1.02 -1.26 -3.68 119.74 124.35 2ww3 s LYS 412 Ca 0.31 0.06 -0.12 0.00 0.02 0.00 0.00 55.97 56.24 2ww3 s LYS 412 Cb -0.01 -3.42 0.13 0.00 -0.52 0.00 0.00 37.83 34.00 2ww3 s LYS 412 CO 0.02 0.24 1.12 0.14 -0.92 0.00 0.00 175.35 175.95 2ww3 s VAL 413 N 0.46 2.35 -0.05 3.17 -7.23 -1.26 -5.02 120.40 112.82 2ww3 s VAL 413 Ca 0.16 0.12 -0.13 0.00 -1.81 0.00 0.00 61.98 60.31 2ww3 s VAL 413 Cb -0.13 -2.80 -0.08 0.00 0.56 0.00 0.00 36.38 33.94 2ww3 s VAL 413 CO 0.03 -0.15 0.52 0.44 -0.31 0.00 0.00 175.10 175.64 2ww3 h ASP 414 N -1.46 -0.33 -0.02 4.85 3.32 -1.97 -3.38 116.42 117.43 2ww3 h ASP 414 Ca -0.50 -0.04 -0.70 0.00 0.02 0.00 0.00 57.03 55.81 2ww3 h ASP 414 Cb 1.31 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.92 2ww3 h ASP 414 CO 0.60 0.13 2.98 -0.67 -1.72 0.00 0.00 179.24 180.56 2ww3 n ASP 415 N -5.04 3.66 0.32 6.45 -0.08 -1.26 -4.75 116.55 115.86 2ww3 n ASP 415 Ca -0.06 -2.81 0.21 0.00 -1.51 0.00 0.00 54.79 50.62 2ww3 n ASP 415 Cb 0.18 -1.57 1.05 0.00 2.34 0.00 0.00 41.12 43.11 2ww3 n ASP 415 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2ww3 h ILE 416 N 4.12 0.02 0.00 5.18 2.10 -2.00 -1.56 117.51 125.37 2ww3 h ILE 416 Ca 0.54 -0.17 -0.00 0.00 1.08 0.00 0.00 64.86 66.31 2ww3 h ILE 416 Cb 0.65 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 2ww3 h ILE 416 CO 1.89 0.00 -0.00 0.11 -1.08 0.00 0.00 178.15 179.07 2ww3 h LYS 417 N 0.00 -0.01 -0.50 2.19 1.57 -1.97 -2.83 116.57 115.03 2ww3 h LYS 417 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2ww3 h LYS 417 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2ww3 h LYS 417 CO 0.00 0.65 0.33 1.15 -0.57 0.00 0.00 179.45 181.01 2ww3 h THR 418 N -0.67 1.13 -0.20 -0.16 2.02 -1.86 -1.67 112.91 111.50 2ww3 h THR 418 Ca -0.00 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.00 2ww3 h THR 418 Cb 0.66 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 2ww3 h THR 418 CO 0.00 0.12 -0.16 0.25 0.37 0.00 0.00 175.52 176.11 2ww3 h LEU 419 N 0.68 -0.51 -0.74 2.58 5.85 -1.22 -1.11 115.31 120.85 2ww3 h LEU 419 Ca 0.18 0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.87 2ww3 h LEU 419 Cb -0.08 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2ww3 h LEU 419 CO -0.04 -0.20 -0.58 0.22 -0.34 0.00 0.00 178.44 177.50 2ww3 h TYR 420 N -0.16 0.21 -0.68 1.25 3.20 -1.13 -2.68 116.97 116.98 2ww3 h TYR 420 Ca 0.12 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2ww3 h TYR 420 Cb 0.34 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2ww3 h TYR 420 CO -0.31 0.70 0.14 0.93 -1.64 0.00 0.00 178.16 177.98 2ww3 h GLU 421 N 0.12 1.10 -0.64 1.82 5.08 -0.96 -2.30 114.58 118.81 2ww3 h GLU 421 Ca -0.00 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 2ww3 h GLU 421 Cb 1.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2ww3 h GLU 421 CO 0.09 0.99 0.19 0.78 -1.00 0.00 0.00 179.01 180.06 2ww3 h GLY 422 N 1.03 1.08 0.93 -3.84 0.00 -0.88 0.11 103.07 101.50 2ww3 h GLY 422 Ca 0.21 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 2ww3 h GLY 422 CO 0.01 0.60 0.13 1.41 0.00 0.00 0.00 176.54 178.69 2ww3 h LEU 423 N 0.93 0.55 -0.56 3.11 3.38 -1.44 -1.24 115.31 120.03 2ww3 h LEU 423 Ca 0.21 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2ww3 h LEU 423 Cb 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2ww3 h LEU 423 CO -0.00 0.60 0.07 0.40 0.09 0.00 0.00 178.44 179.60 2ww3 h ILE 424 N 0.47 1.26 -0.03 1.22 1.08 -1.19 -2.42 117.51 117.89 2ww3 h ILE 424 Ca 0.12 -1.00 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 2ww3 h ILE 424 Cb 0.24 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2ww3 h ILE 424 CO -0.01 0.36 -0.06 -0.74 -0.69 0.00 0.00 178.15 177.02 2ww3 h HIS 425 N 0.84 0.05 -0.58 1.37 -0.00 -0.78 -2.56 115.15 113.49 2ww3 h HIS 425 Ca 0.17 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2ww3 h HIS 425 Cb 0.44 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 2ww3 h HIS 425 CO 0.03 0.11 0.15 0.78 -0.00 0.00 0.00 177.93 179.00 2ww3 h GLY 426 N 0.28 0.99 1.17 5.26 0.00 -0.71 -2.83 103.07 107.24 2ww3 h GLY 426 Ca 0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2ww3 h GLY 426 CO 0.01 0.57 0.34 -0.91 0.00 0.00 0.00 176.54 176.55 2ww3 h THR 427 N 0.83 1.24 -0.49 4.70 1.35 -1.42 -3.15 112.91 115.97 2ww3 h THR 427 Ca 0.18 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2ww3 h THR 427 Cb 0.34 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 2ww3 h THR 427 CO 0.00 0.29 0.00 -1.84 -0.25 0.00 0.00 175.52 173.72 2ww3 n GLU 428 N -4.31 4.25 -3.88 4.72 0.28 -1.17 -4.85 120.64 115.69 2ww3 n GLU 428 Ca 0.07 -3.05 -0.10 0.00 -0.16 0.00 0.00 57.16 53.92 2ww3 n GLU 428 Cb 0.15 -2.12 -0.09 0.00 1.43 0.00 0.00 31.44 30.81 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 -1.14 0.08 0.12 -1.84 0.01 -1.07 -5.06 114.94 106.04 2ww3 s ASN 429 Ca 0.51 -0.41 0.05 0.00 -0.71 0.00 0.00 52.86 52.30 2ww3 s ASN 429 Cb 0.39 0.26 -0.04 0.00 0.41 0.00 0.00 41.25 42.27 2ww3 s ASN 429 CO 0.14 -0.52 -0.12 0.54 -1.51 0.00 0.00 177.10 175.63 2ww3 s VAL 430 N -2.47 1.17 0.14 1.60 0.11 -1.26 -1.51 120.40 118.19 2ww3 s VAL 430 Ca -0.06 -1.77 -0.24 0.00 -2.93 0.00 0.00 61.98 56.99 2ww3 s VAL 430 Cb -0.02 -1.54 -0.08 0.00 -1.53 0.00 0.00 36.38 33.21 2ww3 s VAL 430 CO -0.04 -0.53 0.72 -2.28 -3.33 0.00 0.00 175.10 169.64 2ww3 s HIS 431 N -2.50 3.88 -0.99 1.54 2.46 -0.58 -4.95 115.29 114.16 2ww3 s HIS 431 Ca 0.10 1.54 0.24 0.00 0.47 0.00 0.00 55.06 57.40 2ww3 s HIS 431 Cb -0.03 -2.69 1.00 0.00 -0.13 0.00 0.00 32.58 30.73 2ww3 s HIS 431 CO 0.02 0.53 1.75 -2.30 -2.47 0.00 0.00 174.74 172.27 2ww3 n PRO 432 N 1.60 0.01 0.00 2.88 -0.02 -1.26 -3.58 135.00 134.62 2ww3 n PRO 432 Ca -0.07 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2ww3 n PRO 432 Cb 0.49 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2ww3 n PRO 432 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ww3 n GLU 433 N -1.53 3.44 -3.98 -0.52 -0.58 -1.26 -4.98 120.64 111.23 2ww3 n GLU 433 Ca 0.06 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.49 2ww3 n GLU 433 Cb 0.28 -0.95 -0.15 0.00 -0.57 0.00 0.00 31.44 30.05 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 -1.89 2.13 0.29 2.62 1.01 -1.24 -4.98 120.40 118.34 2ww3 s VAL 434 Ca 0.00 -2.31 0.24 0.00 0.00 0.00 0.00 61.98 59.91 2ww3 s VAL 434 Cb 0.00 -2.57 0.23 0.00 0.00 0.00 0.00 36.38 34.04 2ww3 s VAL 434 CO 0.00 -0.62 1.93 0.77 0.00 0.00 0.00 175.10 177.17 2ww3 h SER 435 N 7.59 0.00 0.13 3.32 4.64 -1.93 -0.50 113.55 126.80 2ww3 h SER 435 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2ww3 h SER 435 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2ww3 h SER 435 CO 0.52 0.21 0.00 -1.54 -0.87 0.00 0.00 176.83 175.16 2ww3 n SER 436 N -3.59 0.00 -4.65 4.97 3.41 -1.26 -3.97 113.62 108.53 2ww3 n SER 436 Ca -0.01 -0.79 -0.35 0.00 -0.26 0.00 0.00 58.87 57.47 2ww3 n SER 436 Cb 0.35 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.13 4.66 0.11 6.66 2.01 -0.19 -4.63 115.64 122.12 2ww3 s THR 437 Ca 0.43 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2ww3 s THR 437 Cb 0.21 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.66 2ww3 s THR 437 CO 0.38 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.43 2ww3 n GLY 438 N 3.12 -2.12 3.36 4.40 0.00 -1.26 -1.52 105.19 111.16 2ww3 n GLY 438 Ca -0.17 -1.40 -0.45 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.34 3.01 0.46 1.61 0.52 -0.57 -4.82 118.95 117.82 2ww3 s ARG 439 Ca 0.00 -1.46 -0.24 0.00 -0.52 0.00 0.00 55.73 53.51 2ww3 s ARG 439 Cb 0.00 -4.23 -0.07 0.00 0.52 0.00 0.00 34.95 31.17 2ww3 s ARG 439 CO 0.00 -1.28 1.32 -1.17 0.02 0.00 0.00 175.30 174.19 2ww3 s LEU 440 N 1.92 4.07 -0.75 2.53 2.96 -1.25 -2.64 118.68 125.51 2ww3 s LEU 440 Ca 0.06 2.68 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 2ww3 s LEU 440 Cb -0.26 -4.06 0.00 0.00 0.50 0.00 0.00 46.19 42.37 2ww3 s LEU 440 CO 0.05 -1.11 0.00 0.61 -1.32 0.00 0.00 176.35 174.58 2ww3 n GLY 441 N 0.63 0.88 0.28 7.98 0.00 -1.26 -4.90 105.19 108.79 2ww3 n GLY 441 Ca 0.06 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.16 1.61 -0.00 -1.83 -2.25 116.97 114.66 2ww3 h TYR 442 Ca -0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.58 2ww3 h TYR 442 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.24 2ww3 h TYR 442 CO 0.20 0.08 -0.10 0.93 -0.00 0.00 0.00 178.16 179.26 2ww3 h GLU 443 N 0.00 -0.25 -0.37 0.10 3.07 -1.90 -1.50 114.58 113.72 2ww3 h GLU 443 Ca -0.00 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 2ww3 h GLU 443 Cb 0.22 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 2ww3 h GLU 443 CO 0.01 -0.17 -0.02 1.88 -1.40 0.00 0.00 179.01 179.31 2ww3 h TYR 444 N -0.26 0.74 -0.69 4.33 0.05 -1.74 -2.99 116.97 116.40 2ww3 h TYR 444 Ca -0.01 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.58 2ww3 h TYR 444 Cb 0.22 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 2ww3 h TYR 444 CO -0.09 0.78 0.21 -0.92 -1.05 0.00 0.00 178.16 177.09 2ww3 h TYR 445 N 0.49 1.12 -0.49 4.88 3.20 -1.24 -1.15 116.97 123.78 2ww3 h TYR 445 Ca 0.10 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 2ww3 h TYR 445 Cb 0.49 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2ww3 h TYR 445 CO 0.04 0.90 -0.18 -0.91 -1.64 0.00 0.00 178.16 176.37 2ww3 h ASN 446 N 1.02 1.01 -0.02 -2.11 -0.26 -1.26 -0.88 115.58 113.08 2ww3 h ASN 446 Ca 0.22 -0.38 -0.02 0.00 -0.56 0.00 0.00 56.30 55.56 2ww3 h ASN 446 Cb 0.31 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 2ww3 h ASN 446 CO -0.01 1.16 -0.06 0.11 -1.06 0.00 0.00 177.43 177.57 2ww3 h LYS 447 N 0.85 0.07 0.00 0.81 1.57 -1.37 -3.39 116.57 115.11 2ww3 h LYS 447 Ca 0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2ww3 h LYS 447 Cb 0.75 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2ww3 h LYS 447 CO 0.06 0.69 -1.36 1.28 -0.57 0.00 0.00 179.45 179.56 2ww3 n LEU 448 N -4.71 0.52 0.00 2.94 4.77 -0.45 -4.98 117.00 115.09 2ww3 n LEU 448 Ca -0.09 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2ww3 n LEU 448 Cb 0.35 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2ww3 n LEU 448 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2ww3 n GLY 449 N 1.36 0.56 3.83 -0.72 0.00 -0.34 -5.02 105.19 104.87 2ww3 n GLY 449 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 -0.20 -0.17 1.61 1.13 -1.24 -4.74 117.35 111.74 2ww3 s TYR 450 Ca 0.00 -0.23 -0.03 0.00 -1.41 0.00 0.00 57.07 55.39 2ww3 s TYR 450 Cb 0.00 0.70 -0.02 0.00 -1.10 0.00 0.00 41.96 41.54 2ww3 s TYR 450 CO 0.00 -1.18 -0.04 0.08 -2.51 0.00 0.00 175.55 171.89 2ww3 s VAL 451 N -3.85 3.68 0.65 -3.49 1.01 -1.26 -2.97 120.40 114.17 2ww3 s VAL 451 Ca 0.11 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 2ww3 s VAL 451 Cb -0.05 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 2ww3 s VAL 451 CO 0.06 0.47 1.06 -2.84 0.00 0.00 0.00 175.10 173.85 2ww3 s PRO 452 N 0.71 3.06 0.05 2.72 0.02 -1.26 -4.53 135.00 135.77 2ww3 s PRO 452 Ca -0.02 1.10 0.25 0.00 0.02 0.00 0.00 61.00 62.35 2ww3 s PRO 452 Cb -0.15 -2.00 0.51 0.00 0.02 0.00 0.00 34.50 32.88 2ww3 s PRO 452 CO 0.02 -1.01 1.43 0.98 -0.33 0.00 0.00 177.00 178.09 2ww3 n TYR 453 N -2.62 0.24 0.04 6.54 4.19 -0.77 -4.27 117.16 120.50 2ww3 n TYR 453 Ca 0.08 0.07 0.02 0.00 3.31 0.00 0.00 57.90 61.38 2ww3 n TYR 453 Cb 0.53 -0.45 0.03 0.00 0.49 0.00 0.00 39.34 39.95 2ww3 n TYR 453 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2ww3 n ASP 454 N -1.76 1.80 -1.01 2.98 5.68 -1.26 -4.53 116.55 118.46 2ww3 n ASP 454 Ca 0.05 -1.59 0.05 0.00 -0.50 0.00 0.00 54.79 52.80 2ww3 n ASP 454 Cb 0.38 -0.04 0.20 0.00 -1.14 0.00 0.00 41.12 40.52 2ww3 n ASP 454 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2ww3 n VAL 455 N -0.00 1.04 -2.23 2.12 0.24 -1.26 -4.90 118.33 113.34 2ww3 n VAL 455 Ca 0.03 -0.65 -0.15 0.00 -2.04 0.00 0.00 64.34 61.52 2ww3 n VAL 455 Cb 0.20 -0.07 -0.01 0.00 -1.47 0.00 0.00 33.84 32.49 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 0.50 -1.22 -3.93 7.34 4.01 -1.26 -4.97 118.16 118.63 2ww3 n LYS 456 Ca 0.14 0.77 -0.33 0.00 -0.51 0.00 0.00 58.31 58.39 2ww3 n LYS 456 Cb 0.56 -5.12 -0.14 0.00 -0.51 0.00 0.00 35.03 29.83 2ww3 n LYS 456 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ww3 s ILE 457 N -2.76 2.66 0.85 -0.18 1.01 -1.26 -5.10 121.20 116.42 2ww3 s ILE 457 Ca 0.00 -2.41 -0.11 0.00 0.00 0.00 0.00 60.65 58.12 2ww3 s ILE 457 Cb 0.00 -2.89 0.11 0.00 0.01 0.00 0.00 42.46 39.68 2ww3 s ILE 457 CO 0.00 -0.66 1.15 0.20 0.00 0.00 0.00 174.94 175.63 2ww3 s ASN 458 N 1.00 3.50 -1.52 3.58 0.01 -1.26 -3.40 114.94 116.85 2ww3 s ASN 458 Ca 0.11 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.42 2ww3 s ASN 458 Cb -0.21 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.89 2ww3 s ASN 458 CO -0.06 -2.72 0.00 -0.62 -1.51 0.00 0.00 177.10 172.19 2ww3 n GLU 459 N -3.77 -1.23 -0.27 -0.60 1.02 0.31 -4.86 120.64 111.24 2ww3 n GLU 459 Ca 0.12 0.90 -0.02 0.00 -0.02 0.00 0.00 57.16 58.14 2ww3 n GLU 459 Cb 0.52 -5.22 0.16 0.00 -0.02 0.00 0.00 31.44 26.89 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 0.00 0.99 -0.24 1.62 -1.07 -1.53 -0.94 115.58 114.41 2ww3 h ASN 460 Ca -0.36 -0.07 -0.03 0.00 0.07 0.00 0.00 56.30 55.91 2ww3 h ASN 460 Cb 1.19 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 37.18 2ww3 h ASN 460 CO 0.47 0.78 0.05 0.00 0.07 0.00 0.00 177.43 178.79 2ww3 h ALA 461 N 1.39 0.32 -0.19 4.14 0.00 -1.26 -0.47 119.26 123.20 2ww3 h ALA 461 Ca 0.29 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ww3 h ALA 461 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2ww3 h ALA 461 CO -0.05 -0.01 0.12 0.00 0.00 0.00 0.00 179.25 179.30 2ww3 h ALA 462 N 0.87 0.24 -0.42 0.00 0.00 -1.02 -1.07 119.26 117.85 2ww3 h ALA 462 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ww3 h ALA 462 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2ww3 h ALA 462 CO 0.00 -0.26 0.26 0.00 0.00 0.00 0.00 179.25 179.25 2ww3 h ARG 463 N 0.23 0.57 -0.31 0.00 3.08 -1.12 -2.21 114.38 114.62 2ww3 h ARG 463 Ca 0.07 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.14 2ww3 h ARG 463 Cb 0.01 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 29.86 2ww3 h ARG 463 CO -0.01 0.42 -0.21 1.15 -1.07 0.00 0.00 179.97 180.24 2ww3 h THR 464 N 0.56 0.42 -0.17 2.04 2.02 -0.78 0.13 112.91 117.13 2ww3 h THR 464 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 2ww3 h THR 464 Cb -0.01 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2ww3 h THR 464 CO -0.03 0.00 0.10 -0.07 0.37 0.00 0.00 175.52 175.89 2ww3 h LEU 465 N -0.18 0.20 -0.38 2.58 3.38 -0.81 -2.41 115.31 117.71 2ww3 h LEU 465 Ca 0.16 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 2ww3 h LEU 465 Cb 0.43 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2ww3 h LEU 465 CO -0.42 0.21 -0.82 -0.33 0.09 0.00 0.00 178.44 177.17 2ww3 h GLU 466 N 0.18 0.11 -0.80 1.13 5.08 -1.28 -2.80 114.58 116.20 2ww3 h GLU 466 Ca 0.06 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2ww3 h GLU 466 Cb 0.04 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2ww3 h GLU 466 CO -0.01 0.86 0.41 1.88 -1.00 0.00 0.00 179.01 181.16 2ww3 h TYR 467 N 0.06 0.74 0.23 4.33 0.05 -0.59 0.68 116.97 122.48 2ww3 h TYR 467 Ca -0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2ww3 h TYR 467 Cb 1.42 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.96 2ww3 h TYR 467 CO 0.02 0.23 -0.11 0.00 -1.05 0.00 0.00 178.16 177.24 2ww3 h ALA 468 N 1.50 -0.31 -0.50 3.88 0.00 -1.18 0.22 119.26 122.86 2ww3 h ALA 468 Ca 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2ww3 h ALA 468 Cb 0.51 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2ww3 h ALA 468 CO -0.31 -0.65 0.27 -0.92 0.00 0.00 0.00 179.25 177.63 2ww3 h TYR 469 N -0.36 0.67 -0.54 0.00 3.20 -1.19 -0.73 116.97 118.02 2ww3 h TYR 469 Ca -0.03 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2ww3 h TYR 469 Cb 0.28 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2ww3 h TYR 469 CO -0.05 0.48 0.33 -0.44 -1.64 0.00 0.00 178.16 176.84 2ww3 h ASP 470 N 0.70 0.65 -0.73 -2.11 3.32 0.10 -2.08 116.42 116.27 2ww3 h ASP 470 Ca 0.18 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2ww3 h ASP 470 Cb 0.03 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2ww3 h ASP 470 CO -0.03 0.51 0.35 0.44 -1.72 0.00 0.00 179.24 178.79 2ww3 h ASP 471 N 0.73 0.95 -0.13 6.45 3.32 0.62 0.40 116.42 128.75 2ww3 h ASP 471 Ca 0.19 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.15 2ww3 h ASP 471 Cb -0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2ww3 h ASP 471 CO -0.04 0.82 0.11 -0.25 -1.72 0.00 0.00 179.24 178.16 2ww3 h TRP 472 N 1.02 0.00 0.05 4.55 7.01 -0.71 0.39 115.95 128.25 2ww3 h TRP 472 Ca 0.25 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 2ww3 h TRP 472 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2ww3 h TRP 472 CO 0.01 0.00 -0.02 0.00 -2.79 0.00 0.00 178.44 175.63 2ww3 h ILE 474 N -0.66 0.00 -0.70 0.00 2.04 -0.40 -0.82 117.51 116.98 2ww3 h ILE 474 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 2ww3 h ILE 474 Cb 0.57 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 2ww3 h ILE 474 CO 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.97 2ww3 n TYR 475 N -4.70 0.22 -0.37 1.37 4.19 0.13 0.27 117.16 118.27 2ww3 n TYR 475 Ca -0.07 0.85 -0.02 0.00 3.31 0.00 0.00 57.90 61.97 2ww3 n TYR 475 Cb 0.32 -0.89 0.10 0.00 0.49 0.00 0.00 39.34 39.37 2ww3 n TYR 475 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2ww3 h ARG 476 N 0.00 1.29 -0.51 2.98 2.47 -0.26 -1.99 114.38 118.36 2ww3 h ARG 476 Ca 0.32 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.88 2ww3 h ARG 476 Cb 0.50 -0.29 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2ww3 h ARG 476 CO -0.71 0.86 0.00 1.25 0.56 0.00 0.00 179.97 181.93 2ww3 h LEU 477 N 1.33 0.88 -0.66 3.04 5.85 0.42 -2.88 115.31 123.29 2ww3 h LEU 477 Ca 0.36 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2ww3 h LEU 477 Cb -0.14 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 2ww3 h LEU 477 CO -0.08 0.97 0.41 0.00 -0.34 0.00 0.00 178.44 179.40 2ww3 h ALA 478 N 0.94 0.84 -0.57 1.25 0.00 -0.62 0.70 119.26 121.81 2ww3 h ALA 478 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2ww3 h ALA 478 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2ww3 h ALA 478 CO 0.03 0.30 0.19 -0.22 0.00 0.00 0.00 179.25 179.55 2ww3 h LYS 479 N 0.90 0.87 -0.65 0.00 3.64 -1.48 -0.05 116.57 119.80 2ww3 h LYS 479 Ca 0.24 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2ww3 h LYS 479 Cb -0.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2ww3 h LYS 479 CO -0.05 0.78 0.06 1.49 -2.27 0.00 0.00 179.45 179.47 2ww3 h GLU 480 N 0.79 1.11 0.00 1.90 4.57 -0.66 -2.02 114.58 120.27 2ww3 h GLU 480 Ca 0.18 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2ww3 h GLU 480 Cb 0.26 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2ww3 h GLU 480 CO -0.01 1.04 0.00 1.28 -1.18 0.00 0.00 179.01 180.14 2ww3 n LEU 481 N -4.20 0.00 -3.61 1.64 4.32 0.22 -4.86 117.00 110.51 2ww3 n LEU 481 Ca 0.04 0.20 -0.22 0.00 -0.02 0.00 0.00 56.01 56.01 2ww3 n LEU 481 Cb 0.32 -0.20 0.07 0.00 -1.62 0.00 0.00 43.42 41.98 2ww3 n LEU 481 CO 0.44 -0.01 0.12 0.29 -1.22 0.00 0.00 177.39 177.01 2ww3 n LYS 482 N -1.20 -6.60 -1.39 3.23 4.01 -0.67 -4.96 118.16 110.57 2ww3 n LYS 482 Ca 0.16 0.76 -0.31 0.00 -0.51 0.00 0.00 58.31 58.41 2ww3 n LYS 482 Cb 0.20 -5.69 0.08 0.00 -0.51 0.00 0.00 35.03 29.10 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 -5.99 2.42 0.43 1.97 1.81 -0.12 -4.94 118.95 114.52 2ww3 s ARG 483 Ca 0.30 1.21 -0.26 0.00 -1.72 0.00 0.00 55.73 55.26 2ww3 s ARG 483 Cb -0.14 -1.91 -0.09 0.00 -0.45 0.00 0.00 34.95 32.35 2ww3 s ARG 483 CO 0.76 -1.52 1.44 -2.30 -0.68 0.00 0.00 175.30 173.00 2ww3 n PRO 484 N -3.24 2.37 0.31 3.54 -0.02 -1.26 -4.83 135.00 131.87 2ww3 n PRO 484 Ca 0.09 0.84 0.19 0.00 -2.02 0.00 0.00 63.50 62.61 2ww3 n PRO 484 Cb 0.53 -2.63 0.98 0.00 -0.02 0.00 0.00 33.50 32.36 2ww3 n PRO 484 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2ww3 h LYS 485 N 2.48 0.00 -0.63 -0.52 1.57 -1.98 -2.28 116.57 115.21 2ww3 h LYS 485 Ca -0.51 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 2ww3 h LYS 485 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 2ww3 h LYS 485 CO 0.62 0.02 0.19 1.57 -0.57 0.00 0.00 179.45 181.27 2ww3 h LYS 486 N 0.00 0.97 -0.39 3.15 2.10 -2.01 -2.96 116.57 117.44 2ww3 h LYS 486 Ca -0.00 -0.20 -0.03 0.00 -2.00 0.00 0.00 60.65 58.43 2ww3 h LYS 486 Cb 0.20 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.37 2ww3 h LYS 486 CO 0.00 0.84 0.14 0.93 -2.00 0.00 0.00 179.45 179.37 2ww3 h GLU 487 N 0.94 0.59 -0.94 0.07 5.08 -1.76 -2.30 114.58 116.25 2ww3 h GLU 487 Ca 0.21 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2ww3 h GLU 487 Cb 0.29 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2ww3 h GLU 487 CO -0.01 0.57 0.61 0.82 -1.00 0.00 0.00 179.01 180.01 2ww3 h ILE 488 N 0.48 1.14 -0.51 3.13 2.04 -1.66 -1.95 117.51 120.18 2ww3 h ILE 488 Ca 0.13 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 2ww3 h ILE 488 Cb 0.21 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 2ww3 h ILE 488 CO -0.01 0.21 -0.15 0.28 0.00 0.00 0.00 178.15 178.49 2ww3 h SER 489 N 1.17 1.01 -0.22 1.72 0.02 -1.33 -0.91 113.55 115.01 2ww3 h SER 489 Ca 0.38 -0.37 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2ww3 h SER 489 Cb 0.03 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2ww3 h SER 489 CO -0.13 1.15 0.05 0.25 -1.14 0.00 0.00 176.83 177.01 2ww3 h LEU 490 N 0.86 0.03 -0.07 5.07 5.85 -0.79 -2.45 115.31 123.82 2ww3 h LEU 490 Ca 0.13 0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.63 2ww3 h LEU 490 Cb 0.72 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2ww3 h LEU 490 CO 0.06 0.05 -1.05 -0.26 -0.34 0.00 0.00 178.44 176.89 2ww3 h PHE 491 N 0.15 0.60 -0.98 1.25 0.04 -1.44 -2.84 116.94 113.71 2ww3 h PHE 491 Ca 0.10 -0.36 0.13 0.00 2.80 0.00 0.00 57.97 60.64 2ww3 h PHE 491 Cb 0.09 -0.05 -0.09 0.00 2.20 0.00 0.00 35.95 38.10 2ww3 h PHE 491 CO -0.14 1.21 0.61 0.00 -0.60 0.00 0.00 178.31 179.39 2ww3 h ALA 492 N 0.67 1.50 -0.40 2.45 0.00 -1.10 0.30 119.26 122.68 2ww3 h ALA 492 Ca -0.10 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2ww3 h ALA 492 Cb 1.72 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2ww3 h ALA 492 CO 0.18 0.16 -0.22 -0.22 0.00 0.00 0.00 179.25 179.15 2ww3 h LYS 493 N 0.93 0.85 -0.20 0.00 1.63 -1.40 -3.11 116.57 115.25 2ww3 h LYS 493 Ca 0.50 -0.38 -0.10 0.00 -0.85 0.00 0.00 60.65 59.82 2ww3 h LYS 493 Cb 0.55 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2ww3 h LYS 493 CO -0.29 1.02 -0.30 0.00 -3.45 0.00 0.00 179.45 176.43 2ww3 h ARG 494 N 0.66 0.40 -1.15 1.90 3.08 -1.05 -2.20 114.38 116.01 2ww3 h ARG 494 Ca 0.08 -0.16 0.33 0.00 0.07 0.00 0.00 59.98 60.30 2ww3 h ARG 494 Cb 0.78 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.73 2ww3 h ARG 494 CO 0.06 0.67 0.77 0.00 -1.07 0.00 0.00 179.97 180.41 2ww3 h ALA 495 N 1.33 2.61 -0.00 0.04 0.00 -0.38 0.54 119.26 123.40 2ww3 h ALA 495 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ww3 h ALA 495 Cb 0.71 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ww3 h ALA 495 CO 0.05 -1.04 -0.04 -1.33 0.00 0.00 0.00 179.25 176.89 2ww3 n MET 496 N -4.50 0.16 -0.12 0.00 2.81 -0.83 -4.24 117.12 110.41 2ww3 n MET 496 Ca 0.28 -0.01 0.27 0.00 -1.81 0.00 0.00 57.70 56.43 2ww3 n MET 496 Cb 1.11 -1.50 0.64 0.00 -0.71 0.00 0.00 33.22 32.76 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 0.03 0.00 0.27 7.83 4.21 0.03 0.77 115.58 128.72 2ww3 h ASN 497 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2ww3 h ASN 497 Cb 0.43 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.63 2ww3 h ASN 497 CO 0.00 0.00 -0.06 0.10 -1.29 0.00 0.00 177.43 176.18 2ww3 h TYR 498 N 0.00 0.00 -0.24 1.19 -0.00 -1.79 -0.81 116.97 115.31 2ww3 h TYR 498 Ca 0.39 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 59.17 2ww3 h TYR 498 Cb 2.07 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.79 2ww3 h TYR 498 CO 0.00 0.06 0.17 0.87 -0.00 0.00 0.00 178.16 179.26 2ww3 h LYS 499 N 0.00 0.14 0.00 0.10 1.57 -1.18 -2.78 116.57 114.42 2ww3 h LYS 499 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ww3 h LYS 499 Cb 0.22 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2ww3 h LYS 499 CO 0.01 0.09 0.00 0.09 -0.57 0.00 0.00 179.45 179.07 2ww3 n ASN 500 N -4.49 0.00 0.00 0.86 3.02 -0.31 -1.90 115.26 112.44 2ww3 n ASN 500 Ca 0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 2ww3 n ASN 500 Cb 0.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.96 0.81 -4.72 3.41 4.77 -1.05 -4.94 117.00 114.32 2ww3 n LEU 501 Ca 0.14 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.89 2ww3 n LEU 501 Cb 0.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2ww3 n LEU 501 CO 0.11 0.20 0.85 0.12 -1.33 0.00 0.00 177.39 177.34 2ww3 s PHE 502 N -0.01 3.49 -0.49 -1.77 5.36 -0.80 -1.87 117.98 121.91 2ww3 s PHE 502 Ca 0.00 1.42 -0.07 0.00 -0.96 0.00 0.00 56.93 57.32 2ww3 s PHE 502 Cb 0.00 -3.37 0.13 0.00 -0.34 0.00 0.00 43.02 39.44 2ww3 s PHE 502 CO 0.00 -1.01 0.34 0.34 -1.46 0.00 0.00 175.22 173.42 2ww3 s ASP 503 N 0.60 5.58 0.44 6.13 2.15 -0.26 -4.96 116.67 126.34 2ww3 s ASP 503 Ca 0.55 -2.08 0.23 0.00 0.43 0.00 0.00 52.55 51.68 2ww3 s ASP 503 Cb -0.29 -1.95 1.22 0.00 -0.30 0.00 0.00 42.92 41.59 2ww3 s ASP 503 CO 0.32 -0.62 1.78 0.11 -0.17 0.00 0.00 175.17 176.59 2ww3 h LYS 504 N 8.17 0.28 0.79 4.34 1.57 -1.93 0.18 116.57 129.96 2ww3 h LYS 504 Ca -0.16 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2ww3 h LYS 504 Cb 1.05 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.31 2ww3 h LYS 504 CO 0.80 0.18 -0.38 1.49 -0.57 0.00 0.00 179.45 180.97 2ww3 h GLU 505 N 0.28 -1.02 0.00 3.15 4.81 -1.94 -3.28 114.58 116.58 2ww3 h GLU 505 Ca 0.58 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 2ww3 h GLU 505 Cb 1.69 0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.30 2ww3 h GLU 505 CO -0.22 -0.66 -0.76 0.66 -0.73 0.00 0.00 179.01 177.30 2ww3 h SER 506 N -1.21 0.00 0.00 1.04 4.64 -1.87 -3.47 113.55 112.69 2ww3 h SER 506 Ca -0.11 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2ww3 h SER 506 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2ww3 h SER 506 CO 0.18 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.44 2ww3 n LYS 507 N -2.70 0.00 -4.31 4.77 4.76 0.58 -5.04 118.16 116.21 2ww3 n LYS 507 Ca 0.01 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.21 2ww3 n LYS 507 Cb 0.53 -1.64 -0.08 0.00 -1.84 0.00 0.00 35.03 32.00 2ww3 n LYS 507 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ww3 s LEU 508 N 0.00 3.03 0.54 -0.35 1.43 -1.22 -4.84 118.68 117.27 2ww3 s LEU 508 Ca 0.00 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.07 2ww3 s LEU 508 Cb 0.00 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 2ww3 s LEU 508 CO 0.00 -0.12 1.05 -0.04 0.23 0.00 0.00 176.35 177.47 2ww3 s MET 509 N -3.69 3.58 -0.27 1.70 -1.94 -1.26 -1.10 119.30 116.32 2ww3 s MET 509 Ca 0.33 1.28 -0.24 0.00 -1.71 0.00 0.00 55.69 55.35 2ww3 s MET 509 Cb -0.03 -2.07 0.07 0.00 2.01 0.00 0.00 34.83 34.81 2ww3 s MET 509 CO 0.19 -0.60 0.73 0.50 -0.01 0.00 0.00 175.02 175.83 2ww3 s ARG 510 N -3.65 0.81 0.34 2.03 3.52 -0.78 -4.84 118.95 116.38 2ww3 s ARG 510 Ca 0.65 1.01 -0.28 0.00 -0.13 0.00 0.00 55.73 56.99 2ww3 s ARG 510 Cb -0.16 0.37 -0.12 0.00 -1.56 0.00 0.00 34.95 33.48 2ww3 s ARG 510 CO 0.28 -0.10 1.20 0.41 -0.81 0.00 0.00 175.30 176.28 2ww3 n GLY 511 N 2.85 0.32 2.99 8.12 0.00 -1.26 -4.79 105.19 113.42 2ww3 n GLY 511 Ca -0.15 0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.84 1.78 0.96 1.61 3.52 -1.26 -1.51 118.95 122.22 2ww3 s ARG 512 Ca 0.57 -0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.66 2ww3 s ARG 512 Cb -0.59 -1.61 0.17 0.00 -1.56 0.00 0.00 34.95 31.36 2ww3 s ARG 512 CO 0.61 -0.11 1.09 -0.80 -0.81 0.00 0.00 175.30 175.28 2ww3 s ASN 513 N 1.13 2.78 0.21 -2.12 0.01 0.18 -1.85 114.94 115.28 2ww3 s ASN 513 Ca -0.05 1.58 -0.10 0.00 -0.71 0.00 0.00 52.86 53.58 2ww3 s ASN 513 Cb -0.14 -2.24 0.20 0.00 0.41 0.00 0.00 41.25 39.48 2ww3 s ASN 513 CO -0.02 -3.09 1.84 -0.08 -1.51 0.00 0.00 177.10 174.24 2ww3 h GLU 514 N -1.86 0.78 0.00 -0.60 4.81 -1.93 -1.20 114.58 114.59 2ww3 h GLU 514 Ca -0.51 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 2ww3 h GLU 514 Cb 1.30 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2ww3 h GLU 514 CO 0.52 0.52 0.00 -0.40 -0.73 0.00 0.00 179.01 178.92 2ww3 n ASP 515 N -4.70 0.56 0.00 1.04 5.68 -1.26 -4.82 116.55 113.04 2ww3 n ASP 515 Ca 0.08 0.71 0.00 0.00 -0.50 0.00 0.00 54.79 55.08 2ww3 n ASP 515 Cb 0.11 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.28 2ww3 n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww3 n GLY 516 N -0.87 0.61 3.87 6.12 0.00 -0.45 -5.10 105.19 109.36 2ww3 n GLY 516 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 4.77 0.24 2.61 -4.23 -1.26 -4.79 115.64 110.99 2ww3 s THR 517 Ca 0.00 0.70 -0.30 0.00 -1.18 0.00 0.00 61.69 60.91 2ww3 s THR 517 Cb 0.00 -3.67 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 2ww3 s THR 517 CO 0.00 -0.34 0.97 -0.36 -0.54 0.00 0.00 174.62 174.35 2ww3 s PHE 518 N -2.15 3.92 0.50 3.99 0.08 -1.26 0.50 117.98 123.56 2ww3 s PHE 518 Ca 0.52 1.88 -0.22 0.00 0.12 0.00 0.00 56.93 59.23 2ww3 s PHE 518 Cb -0.10 -3.03 -0.06 0.00 -0.57 0.00 0.00 43.02 39.26 2ww3 s PHE 518 CO 0.25 0.30 1.21 1.14 -0.10 0.00 0.00 175.22 178.01 2ww3 s GLN 519 N -1.18 3.49 0.01 0.44 1.03 -0.57 -4.84 119.66 118.04 2ww3 s GLN 519 Ca 0.42 1.87 -0.02 0.00 0.04 0.00 0.00 55.36 57.67 2ww3 s GLN 519 Cb -0.27 -2.28 -0.01 0.00 0.03 0.00 0.00 33.01 30.48 2ww3 s GLN 519 CO 0.33 -0.80 0.02 -1.12 -2.54 0.00 0.00 175.29 171.18 2ww3 s SER 520 N -1.33 0.17 0.65 12.60 0.01 -1.26 -4.04 113.70 120.49 2ww3 s SER 520 Ca 0.68 -0.38 -0.12 0.00 1.31 0.00 0.00 55.95 57.44 2ww3 s SER 520 Cb -0.31 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 2ww3 s SER 520 CO 0.37 -0.29 1.05 -2.16 0.41 0.00 0.00 173.24 172.61 2ww3 s PRO 521 N -1.33 3.24 -0.21 12.44 0.04 -1.26 -5.14 135.00 142.78 2ww3 s PRO 521 Ca -0.14 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 61.76 2ww3 s PRO 521 Cb -0.09 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2ww3 s PRO 521 CO -0.00 -0.86 -0.01 0.12 0.04 0.00 0.00 177.00 176.28 2ww3 s PHE 522 N -3.02 3.01 -0.13 0.56 5.36 -1.26 -5.09 117.98 117.41 2ww3 s PHE 522 Ca 0.57 -0.60 0.02 0.00 -0.96 0.00 0.00 56.93 55.96 2ww3 s PHE 522 Cb -0.13 -2.09 -0.00 0.00 -0.34 0.00 0.00 43.02 40.46 2ww3 s PHE 522 CO 0.52 -0.33 -0.19 0.45 -1.46 0.00 0.00 175.22 174.21 2ww3 s SER 523 N 1.14 3.44 0.56 6.13 0.15 -1.26 -4.98 113.70 118.88 2ww3 s SER 523 Ca 0.02 -0.49 0.34 0.00 0.70 0.00 0.00 55.95 56.53 2ww3 s SER 523 Cb -0.14 -1.50 1.54 0.00 -1.71 0.00 0.00 66.02 64.21 2ww3 s SER 523 CO 0.01 0.13 2.05 1.55 1.20 0.00 0.00 173.24 178.18 2ww3 h PRO 524 N 6.94 0.00 -0.06 5.44 0.13 -1.98 -2.95 132.00 139.52 2ww3 h PRO 524 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2ww3 h PRO 524 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ww3 h PRO 524 CO 0.53 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 179.61 2ww3 n LEU 525 N -3.17 2.29 -4.67 1.56 4.77 -1.26 -2.58 117.00 113.95 2ww3 n LEU 525 Ca -0.00 -0.80 -0.41 0.00 -0.03 0.00 0.00 56.01 54.77 2ww3 n LEU 525 Cb 0.27 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 2ww3 n LEU 525 CO 0.27 0.40 0.57 -0.75 -1.33 0.00 0.00 177.39 176.55 2ww3 s LYS 526 N -1.95 4.28 0.43 3.23 2.20 -1.11 -2.69 119.74 124.13 2ww3 s LYS 526 Ca 0.33 0.95 -0.15 0.00 -0.36 0.00 0.00 55.97 56.74 2ww3 s LYS 526 Cb 0.20 -3.58 -0.08 0.00 -1.51 0.00 0.00 37.83 32.87 2ww3 s LYS 526 CO 0.31 -0.32 0.86 -1.58 -0.36 0.00 0.00 175.35 174.26 2ww3 s TRP 527 N 2.14 3.43 0.00 4.03 0.52 -0.99 -4.37 118.94 123.70 2ww3 s TRP 527 Ca 0.36 1.28 0.00 0.00 0.02 0.00 0.00 56.10 57.77 2ww3 s TRP 527 Cb -0.16 -2.62 0.00 0.00 -1.15 0.00 0.00 33.47 29.53 2ww3 s TRP 527 CO 0.12 -0.16 0.00 0.41 0.02 0.00 0.00 176.95 177.34 2ww3 n GLY 528 N -1.15 0.10 7.00 0.98 0.00 -0.45 -4.52 105.19 107.16 2ww3 n GLY 528 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.22 0.00 0.13 1.61 -0.08 -1.26 -0.73 116.55 116.00 2ww3 n ASP 529 Ca 0.00 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.29 2ww3 n ASP 529 Cb 0.00 0.00 0.32 0.00 2.34 0.00 0.00 41.12 43.78 2ww3 n ASP 529 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ww3 h ALA 530 N -0.92 1.33 -1.55 -1.67 0.00 -1.93 0.91 119.26 115.43 2ww3 h ALA 530 Ca 0.00 -0.32 -0.55 0.00 0.00 0.00 0.00 54.91 54.04 2ww3 h ALA 530 Cb 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 2ww3 h ALA 530 CO 0.00 0.47 -0.47 -0.06 0.00 0.00 0.00 179.25 179.19 2ww3 s PHE 531 N -4.35 2.60 -0.12 0.00 0.08 0.09 -0.90 117.98 115.39 2ww3 s PHE 531 Ca -0.04 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.45 2ww3 s PHE 531 Cb 0.14 -2.00 -0.00 0.00 -0.57 0.00 0.00 43.02 40.60 2ww3 s PHE 531 CO 0.74 0.12 -0.20 0.99 -0.10 0.00 0.00 175.22 176.77 2ww3 s THR 532 N -2.58 2.32 -1.30 0.64 2.01 -1.26 -3.72 115.64 111.75 2ww3 s THR 532 Ca 0.42 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 2ww3 s THR 532 Cb 0.03 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.62 2ww3 s THR 532 CO 0.23 0.55 0.76 -0.62 -0.69 0.00 0.00 174.62 174.85 2ww3 n GLU 533 N 3.68 -5.22 -1.50 4.92 -0.58 -1.26 -4.77 120.64 115.91 2ww3 n GLU 533 Ca -0.19 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 2ww3 n GLU 533 Cb 0.53 -5.30 0.00 0.00 -0.57 0.00 0.00 31.44 26.10 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 -1.53 0.38 1.02 0.62 0.00 -1.26 -4.87 105.19 99.56 2ww3 n GLY 534 Ca -0.28 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 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 0.45 1.37 -0.19 1.61 0.23 -1.26 -1.34 115.26 116.13 2ww3 n ASN 535 Ca 0.00 -1.65 -0.00 0.00 -0.53 0.00 0.00 54.58 52.39 2ww3 n ASN 535 Cb 0.00 0.26 0.10 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.46 0.17 -0.11 0.53 0.87 -1.70 -1.17 113.55 112.60 2ww3 h SER 536 Ca -0.10 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2ww3 h SER 536 Cb 0.37 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2ww3 h SER 536 CO 0.17 0.11 0.15 -0.50 -0.53 0.00 0.00 176.83 176.22 2ww3 h TRP 537 N 0.37 0.00 0.08 2.24 -0.00 -1.93 -1.27 115.95 115.44 2ww3 h TRP 537 Ca 0.30 0.00 -0.34 0.00 -0.00 0.00 0.00 58.89 58.84 2ww3 h TRP 537 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.51 2ww3 h TRP 537 CO -0.18 0.00 -1.91 0.72 -0.00 0.00 0.00 178.44 177.07 2ww3 n HIS 538 N -3.66 1.02 0.14 0.49 8.25 -0.54 -4.49 115.22 116.43 2ww3 n HIS 538 Ca -0.00 0.27 0.07 0.00 -0.26 0.00 0.00 57.72 57.79 2ww3 n HIS 538 Cb 0.25 -1.13 0.05 0.00 1.12 0.00 0.00 29.99 30.28 2ww3 n HIS 538 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2ww3 h TYR 539 N -0.23 0.00 -0.05 4.41 -1.99 -1.03 -3.36 116.97 114.72 2ww3 h TYR 539 Ca -0.44 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.31 2ww3 h TYR 539 Cb 1.84 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.57 2ww3 h TYR 539 CO 0.07 0.26 0.23 1.15 -0.00 0.00 0.00 178.16 179.87 2ww3 h THR 540 N 0.00 0.10 -0.00 -2.88 2.02 -1.46 -0.05 112.91 110.63 2ww3 h THR 540 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2ww3 h THR 540 Cb 1.22 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2ww3 h THR 540 CO 0.03 0.00 -0.11 0.79 0.37 0.00 0.00 175.52 176.60 2ww3 n TRP 541 N -3.14 0.00 -1.09 3.16 7.02 -1.26 -4.60 117.44 117.53 2ww3 n TRP 541 Ca -0.01 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.12 2ww3 n TRP 541 Cb 0.30 -0.15 -0.03 0.00 -2.42 0.00 0.00 31.31 29.01 2ww3 n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2ww3 n SER 542 N -0.82 4.28 -3.13 -0.99 7.64 -0.03 -4.48 113.62 116.09 2ww3 n SER 542 Ca 0.15 -2.55 -0.22 0.00 1.01 0.00 0.00 58.87 57.26 2ww3 n SER 542 Cb 0.28 -1.23 -0.04 0.00 -1.01 0.00 0.00 64.21 62.21 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 4.94 0.92 -0.28 0.44 0.31 -1.26 -4.72 118.33 118.68 2ww3 n VAL 543 Ca 0.51 -4.87 0.06 0.00 -0.01 0.00 0.00 64.34 60.02 2ww3 n VAL 543 Cb 0.28 -0.89 0.20 0.00 -0.91 0.00 0.00 33.84 32.52 2ww3 n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2ww3 h PHE 544 N 3.17 0.71 -0.00 3.52 -1.00 -1.89 -1.18 116.94 120.27 2ww3 h PHE 544 Ca 0.11 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.93 2ww3 h PHE 544 Cb 0.80 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2ww3 h PHE 544 CO 0.58 0.18 -0.04 -2.39 -1.61 0.00 0.00 178.31 175.03 2ww3 n HIS 545 N -4.88 0.00 -2.75 -0.55 1.44 -1.26 -4.35 115.22 102.87 2ww3 n HIS 545 Ca 0.16 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.78 2ww3 n HIS 545 Cb 0.40 -0.13 0.09 0.00 0.12 0.00 0.00 29.99 30.47 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 -0.91 -1.98 -0.30 4.39 -0.08 -0.47 -0.08 116.55 117.13 2ww3 n ASP 546 Ca 0.18 -3.34 0.04 0.00 -1.51 0.00 0.00 54.79 50.16 2ww3 n ASP 546 Cb 0.23 1.51 0.19 0.00 2.34 0.00 0.00 41.12 45.39 2ww3 n ASP 546 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2ww3 h PRO 547 N 2.75 0.74 -0.20 -0.67 0.11 -1.70 -0.46 132.00 132.57 2ww3 h PRO 547 Ca -0.13 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.97 2ww3 h PRO 547 Cb 1.14 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2ww3 h PRO 547 CO 0.11 0.49 0.14 0.37 -0.21 0.00 0.00 178.00 178.90 2ww3 h GLN 548 N 0.77 0.09 -0.15 1.05 5.75 -1.91 0.11 115.11 120.82 2ww3 h GLN 548 Ca 0.42 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.90 2ww3 h GLN 548 Cb 0.45 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 2ww3 h GLN 548 CO -0.28 0.06 0.04 0.78 -2.65 0.00 0.00 178.83 176.78 2ww3 h GLY 549 N 0.09 0.26 0.99 2.39 0.00 -1.48 0.19 103.07 105.51 2ww3 h GLY 549 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2ww3 h GLY 549 CO -0.01 0.15 0.33 -2.00 0.00 0.00 0.00 176.54 175.01 2ww3 h LEU 550 N 0.04 0.73 -0.44 3.11 5.85 -0.92 0.14 115.31 123.83 2ww3 h LEU 550 Ca 0.05 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.77 2ww3 h LEU 550 Cb 0.26 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 2ww3 h LEU 550 CO 0.00 0.60 -0.05 0.40 -0.34 0.00 0.00 178.44 179.05 2ww3 h ILE 551 N 0.80 0.62 -0.21 4.05 2.04 -0.57 -0.34 117.51 123.89 2ww3 h ILE 551 Ca 0.21 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 2ww3 h ILE 551 Cb 0.03 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2ww3 h ILE 551 CO -0.04 0.01 0.07 0.44 0.00 0.00 0.00 178.15 178.63 2ww3 h ASP 552 N 0.06 0.31 -0.69 1.72 3.32 -0.06 0.45 116.42 121.51 2ww3 h ASP 552 Ca 0.21 -0.20 0.14 0.00 0.02 0.00 0.00 57.03 57.21 2ww3 h ASP 552 Cb 0.32 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.69 2ww3 h ASP 552 CO -0.40 0.42 0.18 -0.07 -1.72 0.00 0.00 179.24 177.65 2ww3 h LEU 553 N 0.17 0.05 0.00 1.55 3.38 -0.32 0.11 115.31 120.25 2ww3 h LEU 553 Ca 0.07 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2ww3 h LEU 553 Cb 0.22 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2ww3 h LEU 553 CO -0.00 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.76 2ww3 n MET 554 N -5.12 0.35 -0.04 1.13 2.81 -0.17 -4.86 117.12 111.21 2ww3 n MET 554 Ca 0.12 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2ww3 n MET 554 Cb 0.40 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 2ww3 n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww3 n GLY 555 N 0.97 1.01 0.00 3.03 0.00 0.38 -4.66 105.19 105.93 2ww3 n GLY 555 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 1.02 0.30 -0.02 0.00 0.15 -4.71 105.19 99.93 2ww3 n GLY 556 Ca 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 46.02 43.78 2ww3 n GLY 556 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww3 h LYS 557 N 0.00 -0.12 -0.18 1.61 1.57 -1.92 -2.02 116.57 115.52 2ww3 h LYS 557 Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2ww3 h LYS 557 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2ww3 h LYS 557 CO 0.00 -0.08 0.04 0.93 -0.57 0.00 0.00 179.45 179.77 2ww3 h GLU 558 N -0.12 0.29 -0.68 3.15 3.07 -1.92 -1.65 114.58 116.71 2ww3 h GLU 558 Ca 0.24 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.98 2ww3 h GLU 558 Cb 0.51 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 2ww3 h GLU 558 CO -0.62 0.43 0.24 0.52 -1.40 0.00 0.00 179.01 178.18 2ww3 h MET 559 N 0.09 1.05 -0.11 2.33 2.86 -1.83 -1.65 114.93 117.68 2ww3 h MET 559 Ca 0.06 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2ww3 h MET 559 Cb 0.27 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2ww3 h MET 559 CO 0.00 0.89 -0.17 0.35 1.06 0.00 0.00 176.91 179.04 2ww3 h PHE 560 N 0.99 -0.43 -0.45 -0.22 3.04 -1.11 -0.04 116.94 118.71 2ww3 h PHE 560 Ca 0.22 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.16 2ww3 h PHE 560 Cb 0.26 0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 2ww3 h PHE 560 CO 0.02 -0.24 0.13 0.28 -2.02 0.00 0.00 178.31 176.47 2ww3 h VAL 561 N -0.22 1.19 -0.27 1.41 2.07 -1.17 -0.96 116.25 118.31 2ww3 h VAL 561 Ca 0.09 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2ww3 h VAL 561 Cb 0.35 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2ww3 h VAL 561 CO -0.24 0.25 0.12 0.74 0.02 0.00 0.00 177.57 178.46 2ww3 h THR 562 N 0.66 0.97 0.14 2.57 2.02 -0.28 0.17 112.91 119.15 2ww3 h THR 562 Ca 0.15 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2ww3 h THR 562 Cb 0.22 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2ww3 h THR 562 CO -0.01 0.05 -0.07 0.24 0.37 0.00 0.00 175.52 176.10 2ww3 h MET 563 N 0.26 -0.18 -0.31 6.66 2.86 -0.50 -1.18 114.93 122.54 2ww3 h MET 563 Ca 0.11 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2ww3 h MET 563 Cb 0.05 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.67 2ww3 h MET 563 CO -0.09 0.01 -0.30 0.52 1.06 0.00 0.00 176.91 178.10 2ww3 h MET 564 N -0.34 -0.27 -0.67 1.72 2.86 -1.02 -1.50 114.93 115.71 2ww3 h MET 564 Ca -0.02 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 2ww3 h MET 564 Cb 0.28 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 2ww3 h MET 564 CO 0.03 -0.18 0.44 -0.44 1.06 0.00 0.00 176.91 177.82 2ww3 h ASP 565 N -0.28 0.57 1.12 1.22 3.32 -0.52 -1.80 116.42 120.05 2ww3 h ASP 565 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2ww3 h ASP 565 Cb 0.52 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 2ww3 h ASP 565 CO -0.47 0.36 -0.07 0.77 -1.72 0.00 0.00 179.24 178.11 2ww3 h SER 566 N 0.64 0.00 -0.71 6.45 4.64 -0.16 -2.89 113.55 121.53 2ww3 h SER 566 Ca 0.29 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.75 2ww3 h SER 566 Cb 0.32 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.31 2ww3 h SER 566 CO -0.09 0.07 0.23 0.58 -0.87 0.00 0.00 176.83 176.75 2ww3 h VAL 567 N 0.00 0.63 0.00 0.95 2.07 -1.00 -1.56 116.25 117.34 2ww3 h VAL 567 Ca -0.00 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 2ww3 h VAL 567 Cb 0.65 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2ww3 h VAL 567 CO 0.01 0.07 -0.46 -0.26 0.02 0.00 0.00 177.57 176.95 2ww3 h PHE 568 N 0.36 0.00 0.00 1.57 0.04 -1.65 0.12 116.94 117.39 2ww3 h PHE 568 Ca 0.39 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.13 2ww3 h PHE 568 Cb 0.60 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 2ww3 h PHE 568 CO -0.20 0.46 -0.94 0.00 -0.60 0.00 0.00 178.31 177.02 2ww3 h ALA 569 N 1.54 0.58 -2.71 2.45 0.00 -1.31 -3.04 119.26 116.77 2ww3 h ALA 569 Ca -0.00 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.21 2ww3 h ALA 569 Cb 1.30 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 2ww3 h ALA 569 CO 0.06 0.14 0.04 0.14 0.00 0.00 0.00 179.25 179.63 2ww3 s VAL 570 N -3.28 5.08 0.51 0.00 -7.23 -0.65 -4.91 120.40 109.92 2ww3 s VAL 570 Ca 0.00 1.23 -0.21 0.00 -1.81 0.00 0.00 61.98 61.19 2ww3 s VAL 570 Cb 0.09 -3.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.00 2ww3 s VAL 570 CO 0.78 0.23 0.99 -0.81 -0.31 0.00 0.00 175.10 175.97 2ww3 n PRO 571 N 4.16 1.15 -0.86 4.82 -0.05 -1.26 -3.17 135.00 139.80 2ww3 n PRO 571 Ca -0.03 0.43 -0.21 0.00 -0.05 0.00 0.00 63.50 63.64 2ww3 n PRO 571 Cb 0.51 -2.12 -0.06 0.00 -0.05 0.00 0.00 33.50 31.78 2ww3 n PRO 571 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 175.50 175.10 2ww3 n PRO 572 N -0.42 2.24 -2.40 0.54 -0.04 -1.26 -4.75 135.00 128.92 2ww3 n PRO 572 Ca 0.11 -1.38 -0.30 0.00 -0.04 0.00 0.00 63.50 61.89 2ww3 n PRO 572 Cb 0.44 -2.33 -0.01 0.00 -0.04 0.00 0.00 33.50 31.55 2ww3 n PRO 572 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ww3 s ILE 573 N 2.50 4.73 0.09 0.52 -1.09 -1.26 -4.80 121.20 121.89 2ww3 s ILE 573 Ca 0.49 0.75 -0.25 0.00 -2.23 0.00 0.00 60.65 59.41 2ww3 s ILE 573 Cb 0.16 -3.80 0.08 0.00 -1.58 0.00 0.00 42.46 37.33 2ww3 s ILE 573 CO -0.03 -0.82 0.72 0.72 -1.23 0.00 0.00 174.94 174.30 2ww3 s PHE 574 N -2.76 -0.46 -0.17 3.97 -0.12 -1.26 -4.92 117.98 112.26 2ww3 s PHE 574 Ca 0.53 0.30 0.01 0.00 -0.05 0.00 0.00 56.93 57.72 2ww3 s PHE 574 Cb -0.10 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 42.85 2ww3 s PHE 574 CO 0.41 -0.72 -0.20 0.34 -0.05 0.00 0.00 175.22 175.00 2ww3 s ASP 575 N -2.61 3.16 -0.11 1.98 -1.08 -1.09 -4.99 116.67 111.92 2ww3 s ASP 575 Ca 0.02 -0.62 0.15 0.00 -0.52 0.00 0.00 52.55 51.58 2ww3 s ASP 575 Cb -0.01 -1.47 0.52 0.00 -1.46 0.00 0.00 42.92 40.49 2ww3 s ASP 575 CO -0.11 0.03 1.43 -0.90 0.52 0.00 0.00 175.17 176.14 2ww3 n ASP 576 N 4.41 3.88 -0.34 -0.34 5.75 -1.26 -2.33 116.55 126.31 2ww3 n ASP 576 Ca -0.21 -2.56 0.13 0.00 -0.01 0.00 0.00 54.79 52.15 2ww3 n ASP 576 Cb 0.51 -0.46 0.33 0.00 -1.03 0.00 0.00 41.12 40.46 2ww3 n ASP 576 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2ww3 h SER 577 N 2.50 0.71 0.04 -1.12 4.64 -1.92 0.19 113.55 118.60 2ww3 h SER 577 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2ww3 h SER 577 Cb 1.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2ww3 h SER 577 CO 0.17 0.22 0.00 0.22 -0.87 0.00 0.00 176.83 176.56 2ww3 h TYR 578 N 0.69 0.00 0.00 4.77 3.20 -1.83 -2.86 116.97 120.94 2ww3 h TYR 578 Ca 0.58 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 62.24 2ww3 h TYR 578 Cb 0.96 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 2ww3 h TYR 578 CO -0.02 0.00 -1.78 0.66 -1.64 0.00 0.00 178.16 175.38 2ww3 n TYR 579 N -2.88 0.00 -0.85 -3.82 4.01 0.58 -4.92 117.16 109.28 2ww3 n TYR 579 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2ww3 n TYR 579 Cb 0.07 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 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 2.34 0.57 3.54 2.72 0.00 -0.58 -5.01 105.19 108.77 2ww3 n GLY 580 Ca -0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.23 0.61 -1.03 1.61 -2.07 -1.26 -5.08 119.66 112.21 2ww3 s GLN 581 Ca 0.00 -0.18 -0.23 0.00 -1.82 0.00 0.00 55.36 53.13 2ww3 s GLN 581 Cb 0.00 0.28 0.03 0.00 -1.09 0.00 0.00 33.01 32.23 2ww3 s GLN 581 CO 0.00 -0.26 1.57 0.08 -1.32 0.00 0.00 175.29 175.36 2ww3 s VAL 582 N -2.63 3.85 0.76 3.63 1.01 -1.26 -4.90 120.40 120.87 2ww3 s VAL 582 Ca 0.06 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 2ww3 s VAL 582 Cb -0.01 -4.89 0.06 0.00 0.00 0.00 0.00 36.38 31.54 2ww3 s VAL 582 CO -0.06 -1.77 1.17 0.27 0.00 0.00 0.00 175.10 174.71 2ww3 s ILE 583 N 5.87 2.46 0.43 2.22 -4.36 -1.26 -4.72 121.20 121.85 2ww3 s ILE 583 Ca 0.51 0.20 0.11 0.00 -0.26 0.00 0.00 60.65 61.21 2ww3 s ILE 583 Cb -0.01 -2.64 0.29 0.00 1.25 0.00 0.00 42.46 41.35 2ww3 s ILE 583 CO -0.07 -0.14 2.04 1.12 0.24 0.00 0.00 174.94 178.13 2ww3 h HIS 584 N -0.66 0.42 -0.97 1.37 2.07 -1.77 -0.52 115.15 115.08 2ww3 h HIS 584 Ca -0.46 0.01 0.09 0.00 -2.85 0.00 0.00 60.37 57.16 2ww3 h HIS 584 Cb 1.28 -0.14 -0.07 0.00 2.57 0.00 0.00 27.41 31.05 2ww3 h HIS 584 CO 0.50 0.24 0.62 0.93 -3.07 0.00 0.00 177.93 177.15 2ww3 h GLU 585 N 0.43 1.01 -0.10 5.12 3.07 -1.90 0.31 114.58 122.52 2ww3 h GLU 585 Ca 0.18 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.85 2ww3 h GLU 585 Cb 0.17 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2ww3 h GLU 585 CO -0.04 0.67 -0.42 0.82 -1.40 0.00 0.00 179.01 178.63 2ww3 h ILE 586 N 1.04 1.38 -0.66 3.13 2.04 -1.45 -2.79 117.51 120.19 2ww3 h ILE 586 Ca 0.45 -1.76 0.02 0.00 1.00 0.00 0.00 64.86 64.57 2ww3 h ILE 586 Cb 0.34 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 2ww3 h ILE 586 CO -0.20 0.52 0.42 -0.09 0.00 0.00 0.00 178.15 178.80 2ww3 h ARG 587 N 0.05 0.82 -0.82 2.37 9.65 -0.91 -2.03 114.38 123.50 2ww3 h ARG 587 Ca -0.02 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 58.88 2ww3 h ARG 587 Cb 1.06 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 29.40 2ww3 h ARG 587 CO 0.09 0.54 0.54 0.93 2.80 0.00 0.00 179.97 184.87 2ww3 h GLU 588 N 0.84 0.84 -0.38 0.20 5.08 -0.42 -1.69 114.58 119.05 2ww3 h GLU 588 Ca 0.26 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2ww3 h GLU 588 Cb -0.03 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2ww3 h GLU 588 CO -0.08 0.55 -0.19 1.98 -1.00 0.00 0.00 179.01 180.27 2ww3 h MET 589 N 0.86 0.80 -0.25 2.33 4.05 -1.12 -3.31 114.93 118.29 2ww3 h MET 589 Ca 0.36 -0.35 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2ww3 h MET 589 Cb 0.29 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 2ww3 h MET 589 CO -0.13 0.97 0.09 1.79 0.23 0.00 0.00 176.91 179.85 2ww3 h THR 590 N 0.59 1.19 0.00 -0.77 1.35 -0.65 -3.24 112.91 111.38 2ww3 h THR 590 Ca 0.08 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2ww3 h THR 590 Cb 0.74 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 2ww3 h THR 590 CO 0.06 0.19 0.00 -0.37 -0.25 0.00 0.00 175.52 175.15 2ww3 h VAL 591 N 0.24 0.00 0.00 6.82 -1.51 -1.52 -3.15 116.25 117.13 2ww3 h VAL 591 Ca 0.08 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2ww3 h VAL 591 Cb 0.22 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2ww3 h VAL 591 CO -0.00 0.00 -0.18 0.24 -1.23 0.00 0.00 177.57 176.40 2ww3 h MET 592 N 0.00 0.00 -5.79 5.19 2.86 -1.66 -3.48 114.93 112.05 2ww3 h MET 592 Ca 0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 2ww3 h MET 592 Cb 0.38 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.18 2ww3 h MET 592 CO 0.00 0.00 -0.74 -1.71 1.06 0.00 0.00 176.91 175.52 2ww3 n ASN 593 N -2.33 -3.75 -2.34 1.22 4.05 -1.19 -4.92 115.26 106.00 2ww3 n ASN 593 Ca 0.05 -0.61 -0.20 0.00 0.45 0.00 0.00 54.58 54.27 2ww3 n ASN 593 Cb 0.45 -4.96 0.02 0.00 1.23 0.00 0.00 39.78 36.52 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 -4.50 3.04 0.00 1.20 2.81 -1.26 -5.08 117.12 113.32 2ww3 n MET 594 Ca -0.16 -4.08 0.00 0.00 -1.81 0.00 0.00 57.70 51.64 2ww3 n MET 594 Cb 0.62 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 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 -0.56 3.38 0.73 3.03 0.00 -1.15 -1.47 105.19 109.16 2ww3 n GLY 595 Ca 0.34 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 4.16 2.27 -4.56 1.61 3.02 0.43 -4.15 115.26 118.04 2ww3 n ASN 596 Ca 0.00 -1.76 -0.39 0.00 -0.03 0.00 0.00 54.58 52.40 2ww3 n ASN 596 Cb 0.00 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.96 1.76 -0.45 3.10 5.04 -0.54 -4.91 117.35 119.39 2ww3 s TYR 597 Ca 0.33 0.71 -0.06 0.00 -2.44 0.00 0.00 57.07 55.61 2ww3 s TYR 597 Cb 0.20 -4.14 0.12 0.00 0.35 0.00 0.00 41.96 38.49 2ww3 s TYR 597 CO 0.31 -2.36 0.29 0.00 -1.34 0.00 0.00 175.55 172.45 2ww3 s ALA 598 N 8.38 3.30 0.39 3.97 0.00 -1.26 -4.68 121.76 131.85 2ww3 s ALA 598 Ca 0.67 -2.55 0.19 0.00 0.00 0.00 0.00 51.96 50.27 2ww3 s ALA 598 Cb -0.14 -2.65 1.06 0.00 0.00 0.00 0.00 23.12 21.40 2ww3 s ALA 598 CO 0.23 -1.87 1.95 1.25 0.00 0.00 0.00 175.76 177.32 2ww3 h HIS 599 N 8.25 0.00 -0.12 0.00 2.76 -1.93 -0.97 115.15 123.15 2ww3 h HIS 599 Ca -0.17 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.03 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 0.60 0.23 0.10 0.78 -1.30 0.00 0.00 177.93 178.35 2ww3 h GLY 600 N 0.96 0.00 -7.13 5.26 0.00 -1.93 -3.43 103.07 96.81 2ww3 h GLY 600 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.78 2ww3 h GLY 600 CO 0.03 0.00 1.29 -1.31 0.00 0.00 0.00 176.54 176.55 2ww3 s ASN 601 N -6.37 5.67 0.28 0.19 -0.87 -0.37 -4.84 114.94 108.64 2ww3 s ASN 601 Ca -0.05 0.86 0.02 0.00 -1.57 0.00 0.00 52.86 52.13 2ww3 s ASN 601 Cb 0.16 -2.53 0.62 0.00 -0.02 0.00 0.00 41.25 39.49 2ww3 s ASN 601 CO 0.61 -1.96 1.77 1.56 -2.57 0.00 0.00 177.10 176.51 2ww3 h GLN 602 N 13.58 0.70 0.00 -0.60 7.50 -1.87 0.48 115.11 134.89 2ww3 h GLN 602 Ca -0.30 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 58.79 2ww3 h GLN 602 Cb 1.16 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 28.53 2ww3 h GLN 602 CO 1.11 0.46 -0.12 -1.35 -1.50 0.00 0.00 178.83 177.44 2ww3 h PRO 603 N 0.72 0.00 -0.02 1.46 0.11 -1.89 -0.83 132.00 131.54 2ww3 h PRO 603 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2ww3 h PRO 603 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2ww3 h PRO 603 CO -0.36 0.12 -0.01 1.51 -0.21 0.00 0.00 178.00 179.05 2ww3 n ILE 604 N -4.17 0.00 0.27 4.15 3.06 0.13 -4.50 119.36 118.31 2ww3 n ILE 604 Ca -0.02 -0.37 0.14 0.00 -2.50 0.00 0.00 62.75 59.99 2ww3 n ILE 604 Cb 0.20 1.00 0.78 0.00 0.54 0.00 0.00 39.64 42.15 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 3.51 0.00 0.00 9.51 4.20 -0.86 -0.85 115.11 130.62 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 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2ww3 h GLN 605 CO 0.00 0.09 -0.74 -2.39 -0.67 0.00 0.00 178.83 175.12 2ww3 n HIS 606 N -3.54 0.34 -0.26 2.96 1.44 -1.26 -4.61 115.22 110.29 2ww3 n HIS 606 Ca -0.02 0.10 0.00 0.00 -2.01 0.00 0.00 57.72 55.79 2ww3 n HIS 606 Cb 0.22 -0.49 0.07 0.00 0.12 0.00 0.00 29.99 29.91 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 -0.03 -0.79 -1.40 -1.53 -1.44 -1.79 114.93 107.95 2ww3 h MET 607 Ca 0.00 0.00 0.05 0.00 -3.44 0.00 0.00 59.70 56.31 2ww3 h MET 607 Cb 0.69 0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.70 2ww3 h MET 607 CO 0.00 -0.02 0.52 0.82 0.14 0.00 0.00 176.91 178.37 2ww3 h ILE 608 N -0.03 1.09 0.00 1.77 2.04 -1.81 0.16 117.51 120.72 2ww3 h ILE 608 Ca 0.34 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2ww3 h ILE 608 Cb 0.55 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2ww3 h ILE 608 CO -0.77 0.17 0.15 1.88 0.00 0.00 0.00 178.15 179.58 2ww3 h TYR 609 N 0.91 0.00 0.00 1.37 -1.99 -1.66 -2.31 116.97 113.30 2ww3 h TYR 609 Ca 0.32 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.01 2ww3 h TYR 609 Cb 0.13 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 2ww3 h TYR 609 CO -0.00 0.00 -0.19 -0.07 -0.00 0.00 0.00 178.16 177.90 2ww3 h LEU 610 N 0.00 0.00 -1.17 3.88 3.38 -0.75 -1.83 115.31 118.82 2ww3 h LEU 610 Ca 0.00 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.18 2ww3 h LEU 610 Cb 0.30 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 2ww3 h LEU 610 CO 0.00 0.19 0.62 1.88 0.09 0.00 0.00 178.44 181.22 2ww3 h TYR 611 N 0.00 0.89 -0.76 1.13 0.05 -1.57 0.48 116.97 117.19 2ww3 h TYR 611 Ca -0.00 0.03 0.13 0.00 0.05 0.00 0.00 58.73 58.94 2ww3 h TYR 611 Cb 0.57 -0.27 -0.09 0.00 1.01 0.00 0.00 36.73 37.96 2ww3 h TYR 611 CO 0.00 0.17 0.34 -0.44 -1.05 0.00 0.00 178.16 177.18 2ww3 h ASP 612 N 0.61 0.37 0.82 3.88 5.19 -1.54 -0.15 116.42 125.60 2ww3 h ASP 612 Ca 0.57 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 57.07 2ww3 h ASP 612 Cb 1.10 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2ww3 h ASP 612 CO -0.34 0.16 0.00 1.88 -3.12 0.00 0.00 179.24 177.83 2ww3 h TYR 613 N 0.51 0.00 -0.58 4.55 -1.99 -1.05 -2.60 116.97 115.81 2ww3 h TYR 613 Ca 0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.14 2ww3 h TYR 613 Cb 0.57 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.30 2ww3 h TYR 613 CO -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.02 2ww3 n ALA 614 N -1.80 2.84 -1.27 3.88 0.00 -0.11 -4.94 120.51 119.11 2ww3 n ALA 614 Ca 0.02 -1.56 -0.03 0.00 0.00 0.00 0.00 53.44 51.87 2ww3 n ALA 614 Cb 0.25 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 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 0.95 0.57 2.40 0.00 0.00 -0.98 -4.93 105.19 103.20 2ww3 n GLY 615 Ca 0.23 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.63 1.57 0.31 1.61 6.02 -0.95 -4.63 117.38 118.68 2ww3 n GLN 616 Ca -0.04 -3.75 0.18 0.00 -0.01 0.00 0.00 57.00 53.39 2ww3 n GLN 616 Cb 0.18 -1.82 1.02 0.00 1.02 0.00 0.00 30.24 30.64 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 2.99 0.00 0.00 -1.09 0.13 -1.81 -1.52 132.00 130.70 2ww3 h PRO 617 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 2ww3 h PRO 617 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 2ww3 h PRO 617 CO 0.58 0.02 -0.12 0.11 -0.23 0.00 0.00 178.00 178.36 2ww3 h TRP 618 N 0.00 0.00 -0.05 1.56 0.09 -1.89 -1.78 115.95 113.88 2ww3 h TRP 618 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.89 58.77 2ww3 h TRP 618 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.31 2ww3 h TRP 618 CO 0.00 0.12 -0.82 0.87 0.09 0.00 0.00 178.44 178.70 2ww3 h LYS 619 N 0.00 0.45 -0.55 0.12 1.57 -1.67 -1.67 116.57 114.81 2ww3 h LYS 619 Ca -0.00 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2ww3 h LYS 619 Cb 0.23 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 2ww3 h LYS 619 CO 0.02 1.06 0.37 0.00 -0.57 0.00 0.00 179.45 180.32 2ww3 h ALA 620 N 0.81 0.70 -0.56 3.86 0.00 -1.51 -1.23 119.26 121.33 2ww3 h ALA 620 Ca -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ww3 h ALA 620 Cb 1.43 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2ww3 h ALA 620 CO 0.14 0.14 0.32 1.96 0.00 0.00 0.00 179.25 181.82 2ww3 h GLN 621 N 0.75 0.78 0.28 0.00 4.20 -1.11 0.30 115.11 120.31 2ww3 h GLN 621 Ca 0.20 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2ww3 h GLN 621 Cb -0.09 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.54 2ww3 h GLN 621 CO -0.04 0.59 -0.14 -0.92 -0.67 0.00 0.00 178.83 177.65 2ww3 h TYR 622 N 0.76 -0.35 -0.41 2.96 3.20 -1.13 -2.69 116.97 119.31 2ww3 h TYR 622 Ca 0.20 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.92 2ww3 h TYR 622 Cb 0.03 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2ww3 h TYR 622 CO -0.02 -0.13 -0.30 -1.49 -1.64 0.00 0.00 178.16 174.59 2ww3 h TRP 623 N -0.51 1.08 -0.99 -3.82 4.06 -0.86 -2.64 115.95 112.27 2ww3 h TRP 623 Ca -0.04 -0.30 0.06 0.00 2.06 0.00 0.00 58.89 60.67 2ww3 h TRP 623 Cb 0.38 -0.24 -0.06 0.00 -1.00 0.00 0.00 29.16 28.24 2ww3 h TRP 623 CO -0.02 1.11 0.64 -0.07 -3.56 0.00 0.00 178.44 176.54 2ww3 h LEU 624 N 0.74 1.03 -0.04 -4.49 3.38 -0.50 -1.45 115.31 113.98 2ww3 h LEU 624 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ww3 h LEU 624 Cb 0.88 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ww3 h LEU 624 CO 0.08 0.67 0.01 -0.09 0.09 0.00 0.00 178.44 179.20 2ww3 h ARG 625 N 1.18 0.06 -0.63 1.13 9.65 -1.28 0.46 114.38 124.95 2ww3 h ARG 625 Ca 0.42 -0.02 0.13 0.00 -1.10 0.00 0.00 59.98 59.41 2ww3 h ARG 625 Cb 0.13 -0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 28.59 2ww3 h ARG 625 CO -0.16 0.27 -0.14 1.96 2.80 0.00 0.00 179.97 184.69 2ww3 h GLN 626 N -0.15 0.01 -0.35 0.20 1.08 -1.20 0.34 115.11 115.04 2ww3 h GLN 626 Ca 0.01 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2ww3 h GLN 626 Cb 0.23 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 2ww3 h GLN 626 CO 0.00 0.01 0.17 0.28 -0.95 0.00 0.00 178.83 178.33 2ww3 h VAL 627 N 0.01 1.17 -0.58 -0.54 2.07 -0.92 -0.04 116.25 117.42 2ww3 h VAL 627 Ca 0.30 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2ww3 h VAL 627 Cb 0.47 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2ww3 h VAL 627 CO -0.64 0.18 0.02 0.24 0.02 0.00 0.00 177.57 177.39 2ww3 h MET 628 N 0.43 0.99 -0.07 1.57 2.86 0.24 0.83 114.93 121.78 2ww3 h MET 628 Ca 0.12 -0.29 -0.18 0.00 -2.06 0.00 0.00 59.70 57.29 2ww3 h MET 628 Cb 0.13 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2ww3 h MET 628 CO -0.01 0.96 -0.73 -0.44 1.06 0.00 0.00 176.91 177.75 2ww3 h ASP 629 N 0.91 0.42 0.00 1.22 3.32 -0.23 -3.38 116.42 118.68 2ww3 h ASP 629 Ca 0.17 -0.28 -0.19 0.00 0.02 0.00 0.00 57.03 56.75 2ww3 h ASP 629 Cb 0.51 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2ww3 h ASP 629 CO 0.02 1.01 -1.71 0.54 -1.72 0.00 0.00 179.24 177.39 2ww3 n ARG 630 N -3.82 2.29 0.00 3.56 1.74 -0.04 -4.61 116.66 115.78 2ww3 n ARG 630 Ca -0.04 -0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.16 2ww3 n ARG 630 Cb 0.71 -1.27 0.36 0.00 -1.02 0.00 0.00 32.46 31.24 2ww3 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww3 n MET 631 N -2.38 1.00 -4.35 5.56 2.81 0.27 -4.79 117.12 115.24 2ww3 n MET 631 Ca -0.17 -0.62 -0.22 0.00 -1.81 0.00 0.00 57.70 54.89 2ww3 n MET 631 Cb 0.83 -1.49 -0.16 0.00 -0.71 0.00 0.00 33.22 31.69 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 -2.43 1.04 0.20 2.03 1.51 -1.25 -3.13 117.35 115.32 2ww3 s TYR 632 Ca 0.26 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 2ww3 s TYR 632 Cb 0.19 -0.83 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 2ww3 s TYR 632 CO 0.50 -0.22 -0.03 0.95 -1.11 0.00 0.00 175.55 175.63 2ww3 s THR 633 N 0.78 1.02 -1.54 -0.71 -4.23 0.53 -4.83 115.64 106.66 2ww3 s THR 633 Ca -0.13 -2.03 0.27 0.00 -1.18 0.00 0.00 61.69 58.61 2ww3 s THR 633 Cb -0.15 -2.15 0.25 0.00 1.34 0.00 0.00 72.50 71.79 2ww3 s THR 633 CO 0.02 -0.48 1.61 -0.81 -0.54 0.00 0.00 174.62 174.42 2ww3 n PRO 634 N -0.32 0.60 -0.53 3.99 -0.04 -1.26 -4.17 135.00 133.27 2ww3 n PRO 634 Ca -0.07 -0.32 -0.10 0.00 -0.04 0.00 0.00 63.50 62.97 2ww3 n PRO 634 Cb 0.63 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.67 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 1.37 -1.86 0.26 0.55 0.00 -1.26 -4.75 105.19 99.49 2ww3 n GLY 635 Ca 0.11 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 0.02 -2.25 1.61 0.11 -1.92 -2.43 132.00 127.14 2ww3 h PRO 636 Ca -0.15 -0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.20 2ww3 h PRO 636 Cb 0.43 -0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.23 2ww3 h PRO 636 CO 0.10 0.02 0.68 -0.40 -0.21 0.00 0.00 178.00 178.19 2ww3 n ASP 637 N -4.53 6.76 0.07 -2.05 3.85 -1.26 0.87 116.55 120.26 2ww3 n ASP 637 Ca -0.03 -3.69 -0.01 0.00 -0.71 0.00 0.00 54.79 50.35 2ww3 n ASP 637 Cb 0.09 -1.04 -0.06 0.00 -1.35 0.00 0.00 41.12 38.77 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 3.92 0.00 -2.24 6.12 0.00 -1.51 -3.44 103.07 105.92 2ww3 h GLY 638 Ca 0.45 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 47.34 2ww3 h GLY 638 CO 1.11 0.00 -0.13 -0.19 0.00 0.00 0.00 176.54 177.33 2ww3 s TYR 639 N -2.86 3.08 -2.40 5.60 1.51 0.36 -0.35 117.35 122.29 2ww3 s TYR 639 Ca -0.00 0.05 0.23 0.00 -1.01 0.00 0.00 57.07 56.34 2ww3 s TYR 639 Cb 0.08 -2.38 0.48 0.00 -0.11 0.00 0.00 41.96 40.03 2ww3 s TYR 639 CO 0.79 -0.44 1.43 0.00 -1.11 0.00 0.00 175.55 176.22 2ww3 n GLY 641 N 1.50 -1.27 3.68 0.00 0.00 -1.21 -4.68 105.19 103.21 2ww3 n GLY 641 Ca 0.20 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 2ww3 n GLY 641 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ww3 n ASP 642 N 1.11 2.79 0.03 1.61 9.92 -1.26 -2.87 116.55 127.88 2ww3 n ASP 642 Ca 0.00 1.15 -0.13 0.00 -0.53 0.00 0.00 54.79 55.28 2ww3 n ASP 642 Cb 0.00 -1.44 -0.01 0.00 -0.64 0.00 0.00 41.12 39.02 2ww3 n ASP 642 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2ww3 h GLU 643 N 3.95 0.54 -5.39 -1.24 4.22 -1.66 -3.44 114.58 111.55 2ww3 h GLU 643 Ca -0.45 -0.46 -0.25 0.00 0.08 0.00 0.00 59.36 58.28 2ww3 h GLU 643 Cb 1.27 0.10 0.19 0.00 0.50 0.00 0.00 28.75 30.81 2ww3 h GLU 643 CO 0.74 1.09 -0.82 -0.25 -2.18 0.00 0.00 179.01 177.59 2ww3 n ASP 644 N -3.86 -5.75 -2.80 1.04 8.00 -1.26 -1.35 116.55 110.57 2ww3 n ASP 644 Ca -0.06 -0.67 -0.20 0.00 0.71 0.00 0.00 54.79 54.57 2ww3 n ASP 644 Cb 0.74 -5.04 0.01 0.00 -0.02 0.00 0.00 41.12 36.80 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 -3.15 -5.24 0.00 -2.24 5.03 -1.26 -2.04 115.26 106.36 2ww3 n ASN 645 Ca -0.10 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.21 2ww3 n ASN 645 Cb 0.62 -4.32 0.00 0.00 -1.02 0.00 0.00 39.78 35.06 2ww3 n ASN 645 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww3 n GLY 646 N -1.19 2.46 0.13 7.41 0.00 -1.25 -4.62 105.19 108.14 2ww3 n GLY 646 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.94 -0.24 0.00 1.61 5.75 -1.46 0.88 115.11 122.59 2ww3 h GLN 647 Ca 0.00 0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2ww3 h GLN 647 Cb 0.00 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 2ww3 h GLN 647 CO 0.00 -0.04 -0.32 1.15 -2.65 0.00 0.00 178.83 176.97 2ww3 h THR 648 N -0.40 1.09 0.02 2.39 2.02 -1.43 -1.60 112.91 115.01 2ww3 h THR 648 Ca -0.03 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 2ww3 h THR 648 Cb 0.31 1.64 0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2ww3 h THR 648 CO 0.04 0.31 -0.21 0.28 0.37 0.00 0.00 175.52 176.31 2ww3 h SER 649 N 0.00 0.15 0.03 4.18 0.02 -1.67 -3.28 113.55 112.98 2ww3 h SER 649 Ca -0.00 -0.89 -0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2ww3 h SER 649 Cb 0.61 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 2ww3 h SER 649 CO 0.04 1.02 -0.02 0.00 -1.14 0.00 0.00 176.83 176.73 2ww3 h ALA 650 N 0.13 1.65 -0.57 3.77 0.00 0.93 -1.46 119.26 123.71 2ww3 h ALA 650 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ww3 h ALA 650 Cb 1.07 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2ww3 h ALA 650 CO 0.04 0.02 0.34 2.35 0.00 0.00 0.00 179.25 182.01 2ww3 h TRP 651 N 0.00 0.75 -0.22 0.00 7.01 -1.35 -0.22 115.95 121.92 2ww3 h TRP 651 Ca -0.00 -0.00 -0.19 0.00 2.11 0.00 0.00 58.89 60.81 2ww3 h TRP 651 Cb 0.04 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 2ww3 h TRP 651 CO 0.00 0.51 -0.60 -0.92 -2.79 0.00 0.00 178.44 174.64 2ww3 h TYR 652 N 0.77 0.95 0.11 2.65 5.03 -1.37 0.73 116.97 125.83 2ww3 h TYR 652 Ca 0.20 -0.36 -0.01 0.00 2.58 0.00 0.00 58.73 61.15 2ww3 h TYR 652 Cb -0.02 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.09 2ww3 h TYR 652 CO -0.02 1.16 -0.05 0.28 -1.32 0.00 0.00 178.16 178.20 2ww3 h VAL 653 N 0.56 0.90 0.27 1.81 2.07 -1.10 0.57 116.25 121.33 2ww3 h VAL 653 Ca -0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2ww3 h VAL 653 Cb 1.20 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2ww3 h VAL 653 CO 0.12 0.01 -0.13 -0.26 0.02 0.00 0.00 177.57 177.33 2ww3 h PHE 654 N -0.16 -0.34 -0.31 1.57 0.04 -1.03 -2.53 116.94 114.18 2ww3 h PHE 654 Ca -0.01 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 2ww3 h PHE 654 Cb 0.12 0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2ww3 h PHE 654 CO -0.07 -0.19 0.05 0.77 -0.60 0.00 0.00 178.31 178.28 2ww3 h SER 655 N -0.41 0.41 -0.59 2.17 0.02 -0.74 0.26 113.55 114.68 2ww3 h SER 655 Ca -0.04 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 2ww3 h SER 655 Cb 0.31 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2ww3 h SER 655 CO 0.06 0.44 0.07 0.00 -1.14 0.00 0.00 176.83 176.27 2ww3 h ALA 656 N 1.62 0.97 -0.00 3.77 0.00 -0.82 -2.15 119.26 122.64 2ww3 h ALA 656 Ca 0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2ww3 h ALA 656 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2ww3 h ALA 656 CO 0.00 0.64 -0.36 -0.07 0.00 0.00 0.00 179.25 179.46 2ww3 h LEU 657 N 0.95 0.00 0.00 0.00 3.38 -0.56 0.16 115.31 119.23 2ww3 h LEU 657 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2ww3 h LEU 657 Cb 0.45 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2ww3 h LEU 657 CO 0.02 0.37 0.00 0.61 0.09 0.00 0.00 178.44 179.52 2ww3 n GLY 658 N -0.49 1.52 3.51 0.83 0.00 -0.32 -4.45 105.19 105.79 2ww3 n GLY 658 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.21 -0.16 1.61 -0.12 -1.19 0.53 117.98 116.44 2ww3 s PHE 659 Ca 0.00 -0.12 -0.13 0.00 -0.05 0.00 0.00 56.93 56.63 2ww3 s PHE 659 Cb 0.00 0.43 0.05 0.00 -0.63 0.00 0.00 43.02 42.87 2ww3 s PHE 659 CO 0.00 -0.91 0.42 -0.47 -0.05 0.00 0.00 175.22 174.22 2ww3 s TYR 660 N -3.85 -0.52 -1.33 3.49 6.14 0.27 -3.98 117.35 117.58 2ww3 s TYR 660 Ca 0.07 1.20 -0.17 0.00 0.64 0.00 0.00 57.07 58.81 2ww3 s TYR 660 Cb -0.01 0.20 0.04 0.00 0.42 0.00 0.00 41.96 42.61 2ww3 s TYR 660 CO -0.05 -0.27 1.94 -0.35 0.64 0.00 0.00 175.55 177.47 2ww3 n PRO 661 N 3.31 2.88 -0.19 4.97 -0.04 -1.26 -0.28 135.00 144.39 2ww3 n PRO 661 Ca -0.16 -2.90 -0.00 0.00 -0.04 0.00 0.00 63.50 60.39 2ww3 n PRO 661 Cb 0.56 -3.41 0.09 0.00 -0.04 0.00 0.00 33.50 30.71 2ww3 n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ww3 h VAL 662 N 4.97 0.57 -3.01 0.52 2.07 -1.87 -3.34 116.25 116.15 2ww3 h VAL 662 Ca 0.48 -0.05 -0.62 0.00 0.82 0.00 0.00 66.70 67.33 2ww3 h VAL 662 Cb 0.78 0.40 -0.41 0.00 -1.52 0.00 0.00 31.29 30.54 2ww3 h VAL 662 CO 1.63 0.03 -0.65 0.00 0.02 0.00 0.00 177.57 178.60 2ww3 n PRO 664 N 2.37 2.18 0.00 0.00 -0.02 -1.26 -1.88 135.00 136.39 2ww3 n PRO 664 Ca 0.18 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2ww3 n PRO 664 Cb 0.36 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.13 1.46 3.98 -1.23 0.00 -1.26 -4.82 105.19 104.44 2ww3 n GLY 665 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.72 2.07 -0.70 2.61 -4.23 -0.79 -4.86 115.64 108.02 2ww3 s THR 666 Ca 0.00 -0.41 0.12 0.00 -1.18 0.00 0.00 61.69 60.22 2ww3 s THR 666 Cb 0.00 -2.65 0.62 0.00 1.34 0.00 0.00 72.50 71.80 2ww3 s THR 666 CO 0.00 0.00 1.47 -0.90 -0.54 0.00 0.00 174.62 174.65 2ww3 n ASP 667 N -3.15 4.42 -4.58 3.99 5.75 -1.26 -4.95 116.55 116.77 2ww3 n ASP 667 Ca 0.16 -2.60 -0.32 0.00 -0.01 0.00 0.00 54.79 52.02 2ww3 n ASP 667 Cb 0.60 -0.60 -0.11 0.00 -1.03 0.00 0.00 41.12 39.99 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 -2.17 2.49 -0.16 0.11 2.02 -1.26 0.15 118.70 119.88 2ww3 s GLU 668 Ca 0.42 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.66 2ww3 s GLU 668 Cb 0.30 -2.46 0.03 0.00 0.10 0.00 0.00 34.13 32.10 2ww3 s GLU 668 CO 0.15 0.59 -0.13 0.71 0.02 0.00 0.00 175.26 176.60 2ww3 s TYR 669 N -0.98 2.25 0.22 1.61 1.51 0.69 -4.55 117.35 118.09 2ww3 s TYR 669 Ca 0.17 -1.33 -0.30 0.00 -1.01 0.00 0.00 57.07 54.60 2ww3 s TYR 669 Cb -0.11 -1.61 -0.08 0.00 -0.11 0.00 0.00 41.96 40.04 2ww3 s TYR 669 CO 0.07 -0.69 1.07 0.08 -1.11 0.00 0.00 175.55 174.97 2ww3 s VAL 670 N 1.46 3.79 0.06 0.71 1.01 0.62 -0.68 120.40 127.36 2ww3 s VAL 670 Ca 0.03 1.66 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 2ww3 s VAL 670 Cb -0.14 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2ww3 s VAL 670 CO -0.10 0.34 1.07 -0.32 0.00 0.00 0.00 175.10 176.09 2ww3 s MET 671 N -0.83 4.53 0.00 2.72 1.75 0.96 -0.56 119.30 127.86 2ww3 s MET 671 Ca 0.46 1.59 0.00 0.00 -1.25 0.00 0.00 55.69 56.50 2ww3 s MET 671 Cb -0.30 -3.39 0.00 0.00 2.84 0.00 0.00 34.83 33.99 2ww3 s MET 671 CO 0.36 -0.08 0.00 0.41 -0.65 0.00 0.00 175.02 175.06 2ww3 n GLY 672 N 2.84 1.22 3.29 2.11 0.00 0.19 -4.92 105.19 109.92 2ww3 n GLY 672 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 2.83 -0.11 0.65 2.61 -1.32 -1.23 -4.70 115.64 114.37 2ww3 s THR 673 Ca 0.00 0.10 -0.15 0.00 -1.21 0.00 0.00 61.69 60.43 2ww3 s THR 673 Cb 0.00 -0.64 -0.01 0.00 -1.51 0.00 0.00 72.50 70.34 2ww3 s THR 673 CO 0.00 0.04 1.09 -2.16 -2.21 0.00 0.00 174.62 171.38 2ww3 s PRO 674 N 1.59 2.94 -0.11 7.08 0.04 -1.26 -4.44 135.00 140.83 2ww3 s PRO 674 Ca -0.08 1.29 0.14 0.00 0.04 0.00 0.00 61.00 62.39 2ww3 s PRO 674 Cb -0.09 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 32.24 2ww3 s PRO 674 CO -0.13 -1.13 0.42 -0.11 0.04 0.00 0.00 177.00 176.09 2ww3 n LEU 675 N -2.40 0.64 -4.87 -3.56 7.94 0.55 -4.94 117.00 110.36 2ww3 n LEU 675 Ca 0.10 0.25 -0.22 0.00 -1.11 0.00 0.00 56.01 55.02 2ww3 n LEU 675 Cb 0.52 0.24 -0.04 0.00 0.53 0.00 0.00 43.42 44.67 2ww3 n LEU 675 CO 0.48 0.45 -0.13 -0.36 -1.11 0.00 0.00 177.39 176.72 2ww3 s PHE 676 N -2.56 3.22 0.39 1.96 0.08 -1.26 -4.86 117.98 114.96 2ww3 s PHE 676 Ca -0.08 -0.08 0.22 0.00 0.12 0.00 0.00 56.93 57.12 2ww3 s PHE 676 Cb 0.07 -1.46 1.19 0.00 -0.57 0.00 0.00 43.02 42.25 2ww3 s PHE 676 CO 0.82 0.50 1.99 0.87 -0.10 0.00 0.00 175.22 179.30 2ww3 h LYS 677 N 1.46 0.00 -2.29 0.44 1.57 -1.29 -3.42 116.57 113.04 2ww3 h LYS 677 Ca -0.49 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 2ww3 h LYS 677 Cb 1.23 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.32 2ww3 h LYS 677 CO 0.61 0.19 -0.01 0.21 -0.57 0.00 0.00 179.45 179.87 2ww3 s LYS 678 N -4.25 0.70 0.02 3.15 2.20 -0.93 -0.50 119.74 120.14 2ww3 s LYS 678 Ca -0.03 0.81 0.03 0.00 -0.36 0.00 0.00 55.97 56.42 2ww3 s LYS 678 Cb 0.14 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.78 2ww3 s LYS 678 CO 0.64 -0.09 -0.09 0.00 -0.36 0.00 0.00 175.35 175.45 2ww3 s ALA 679 N 0.27 0.69 -0.08 3.13 0.00 -0.84 -0.28 121.76 124.65 2ww3 s ALA 679 Ca -0.00 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2ww3 s ALA 679 Cb -0.04 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2ww3 s ALA 679 CO 0.01 0.09 -0.08 0.99 0.00 0.00 0.00 175.76 176.78 2ww3 s THR 680 N -0.79 0.89 -0.18 0.00 2.01 0.16 -0.16 115.64 117.58 2ww3 s THR 680 Ca -0.03 -0.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 2ww3 s THR 680 Cb -0.07 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 2ww3 s THR 680 CO 0.00 0.33 0.11 -0.76 -0.69 0.00 0.00 174.62 173.61 2ww3 s LEU 681 N 1.26 4.14 -0.42 4.42 1.43 0.12 -0.69 118.68 128.95 2ww3 s LEU 681 Ca -0.04 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2ww3 s LEU 681 Cb -0.14 -2.05 0.11 0.00 0.03 0.00 0.00 46.19 44.14 2ww3 s LEU 681 CO -0.03 0.23 0.22 -1.00 0.23 0.00 0.00 176.35 176.01 2ww3 s HIS 682 N 0.04 3.57 0.50 0.29 3.76 0.15 -0.67 115.29 122.92 2ww3 s HIS 682 Ca 0.09 -2.38 -0.18 0.00 -0.15 0.00 0.00 55.06 52.43 2ww3 s HIS 682 Cb -0.11 -3.25 -0.08 0.00 1.11 0.00 0.00 32.58 30.24 2ww3 s HIS 682 CO -0.00 -0.97 0.99 -0.06 -0.85 0.00 0.00 174.74 173.85 2ww3 s PHE 683 N 1.13 3.30 0.56 1.40 0.08 -0.06 -4.82 117.98 119.57 2ww3 s PHE 683 Ca 0.08 1.53 0.25 0.00 0.12 0.00 0.00 56.93 58.91 2ww3 s PHE 683 Cb -0.23 -2.87 1.52 0.00 -0.57 0.00 0.00 43.02 40.87 2ww3 s PHE 683 CO -0.04 -0.45 2.10 0.93 -0.10 0.00 0.00 175.22 177.66 2ww3 h GLU 684 N 1.21 0.00 0.00 0.44 5.08 -1.86 -1.58 114.58 117.86 2ww3 h GLU 684 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2ww3 h GLU 684 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ww3 h GLU 684 CO 0.60 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.88 2ww3 n ASN 685 N -4.11 0.00 0.00 1.42 2.04 -1.26 -4.82 115.26 108.54 2ww3 n ASN 685 Ca 0.02 -0.68 0.00 0.00 -0.44 0.00 0.00 54.58 53.48 2ww3 n ASN 685 Cb 0.32 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.57 2ww3 n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ww3 n GLY 686 N 0.35 1.51 3.92 4.83 0.00 -0.60 -5.05 105.19 110.15 2ww3 n GLY 686 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.82 5.87 0.12 1.61 0.01 -1.26 -4.88 114.94 114.58 2ww3 s ASN 687 Ca 0.00 0.74 0.03 0.00 -0.71 0.00 0.00 52.86 52.92 2ww3 s ASN 687 Cb 0.00 -1.89 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 2ww3 s ASN 687 CO 0.00 -0.84 -0.08 -0.44 -1.51 0.00 0.00 177.10 174.23 2ww3 s SER 688 N -4.22 1.37 -0.02 -1.22 0.01 -1.26 -0.88 113.70 107.48 2ww3 s SER 688 Ca 0.51 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2ww3 s SER 688 Cb -0.10 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.20 2ww3 s SER 688 CO 0.44 -0.42 -0.02 -0.22 0.41 0.00 0.00 173.24 173.44 2ww3 s LEU 689 N -3.09 1.45 -0.12 2.44 2.96 0.15 -1.68 118.68 120.80 2ww3 s LEU 689 Ca 0.14 -0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 2ww3 s LEU 689 Cb 0.04 -0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 2ww3 s LEU 689 CO -0.03 -0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.15 2ww3 s VAL 690 N 0.66 3.26 -0.35 1.68 1.01 -0.39 0.14 120.40 126.41 2ww3 s VAL 690 Ca -0.07 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2ww3 s VAL 690 Cb -0.10 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.97 2ww3 s VAL 690 CO -0.01 0.54 0.13 -0.63 0.00 0.00 0.00 175.10 175.13 2ww3 s ILE 691 N 0.06 3.76 -0.40 2.22 1.01 0.78 -0.77 121.20 127.86 2ww3 s ILE 691 Ca -0.04 -1.26 -0.09 0.00 0.00 0.00 0.00 60.65 59.26 2ww3 s ILE 691 Cb -0.14 -3.19 0.06 0.00 0.01 0.00 0.00 42.46 39.20 2ww3 s ILE 691 CO 0.04 -0.26 0.23 -0.62 0.00 0.00 0.00 174.94 174.32 2ww3 s ASP 692 N 1.54 5.60 -0.46 3.58 3.68 0.03 -1.98 116.67 128.67 2ww3 s ASP 692 Ca -0.00 -1.36 0.09 0.00 2.13 0.00 0.00 52.55 53.41 2ww3 s ASP 692 Cb -0.20 -1.97 0.36 0.00 -1.45 0.00 0.00 42.92 39.65 2ww3 s ASP 692 CO 0.02 -0.48 0.86 0.00 0.13 0.00 0.00 175.17 175.70 2ww3 n ALA 693 N 4.91 3.40 0.33 3.66 0.00 0.34 -1.29 120.51 131.86 2ww3 n ALA 693 Ca -0.11 -3.98 0.20 0.00 0.00 0.00 0.00 53.44 49.56 2ww3 n ALA 693 Cb 0.44 -0.82 1.07 0.00 0.00 0.00 0.00 19.45 20.14 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 2.97 0.00 -0.21 0.00 0.13 -1.78 0.54 132.00 133.65 2ww3 h PRO 694 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2ww3 h PRO 694 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2ww3 h PRO 694 CO 0.65 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.71 2ww3 n ASN 695 N -2.98 2.64 -4.71 1.44 5.15 -1.26 -4.96 115.26 110.58 2ww3 n ASN 695 Ca -0.03 -1.86 -0.39 0.00 -0.60 0.00 0.00 54.58 51.71 2ww3 n ASN 695 Cb 0.16 -0.13 0.04 0.00 -0.53 0.00 0.00 39.78 39.33 2ww3 n ASN 695 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2ww3 n ASN 696 N 0.99 2.17 -3.08 1.20 2.85 0.19 -4.75 115.26 114.82 2ww3 n ASN 696 Ca 0.17 0.95 -0.05 0.00 -0.11 0.00 0.00 54.58 55.54 2ww3 n ASN 696 Cb 0.50 -1.52 0.02 0.00 1.24 0.00 0.00 39.78 40.02 2ww3 n ASN 696 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2ww3 n SER 697 N -0.84 -1.89 -0.09 1.20 3.41 -1.24 -4.82 113.62 109.35 2ww3 n SER 697 Ca 0.11 -2.12 0.02 0.00 -0.26 0.00 0.00 58.87 56.62 2ww3 n SER 697 Cb 0.45 3.10 0.32 0.00 -0.26 0.00 0.00 64.21 67.83 2ww3 n SER 697 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2ww3 h THR 698 N 1.97 1.16 0.14 6.66 2.02 -1.95 -3.12 112.91 119.78 2ww3 h THR 698 Ca -0.29 -0.37 -0.36 0.00 0.77 0.00 0.00 66.41 66.16 2ww3 h THR 698 Cb 1.19 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2ww3 h THR 698 CO 0.38 0.17 -1.94 -0.33 0.37 0.00 0.00 175.52 174.17 2ww3 h GLU 699 N 0.74 0.29 -4.57 6.66 3.07 -1.96 -3.42 114.58 115.39 2ww3 h GLU 699 Ca 0.19 -0.50 -0.71 0.00 -0.50 0.00 0.00 59.36 57.84 2ww3 h GLU 699 Cb -0.01 0.18 -0.09 0.00 -0.84 0.00 0.00 28.75 27.99 2ww3 h GLU 699 CO -0.03 1.23 2.40 0.09 -1.40 0.00 0.00 179.01 181.29 2ww3 n ASN 700 N -3.50 4.61 -0.29 1.42 5.03 -1.18 -4.30 115.26 117.05 2ww3 n ASN 700 Ca -0.30 -2.93 0.08 0.00 0.87 0.00 0.00 54.58 52.29 2ww3 n ASN 700 Cb 1.05 -1.64 -0.02 0.00 -1.02 0.00 0.00 39.78 38.16 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 6.30 0.00 -2.74 3.10 1.16 -1.11 -3.68 117.46 120.49 2ww3 n PHE 701 Ca 0.47 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.72 2ww3 n PHE 701 Cb 0.41 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.23 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 -1.97 3.39 -0.32 2.97 2.02 -0.52 -4.76 117.35 118.16 2ww3 s TYR 702 Ca 0.12 1.42 -0.13 0.00 -0.37 0.00 0.00 57.07 58.12 2ww3 s TYR 702 Cb 0.12 -2.72 -0.03 0.00 -0.40 0.00 0.00 41.96 38.93 2ww3 s TYR 702 CO 0.44 -0.16 0.24 0.42 -1.57 0.00 0.00 175.55 174.92 2ww3 s ILE 703 N -2.32 5.28 -0.16 2.71 1.01 -1.26 -1.42 121.20 125.03 2ww3 s ILE 703 Ca 0.58 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 61.09 2ww3 s ILE 703 Cb -0.10 -3.66 -0.23 0.00 0.01 0.00 0.00 42.46 38.49 2ww3 s ILE 703 CO 0.22 0.08 0.29 -0.67 0.00 0.00 0.00 174.94 174.86 2ww3 n ASP 704 N 5.13 2.01 -3.96 3.58 2.03 -0.05 -4.47 116.55 120.82 2ww3 n ASP 704 Ca -0.13 0.30 -0.09 0.00 0.52 0.00 0.00 54.79 55.39 2ww3 n ASP 704 Cb 0.51 -0.91 -0.08 0.00 -0.72 0.00 0.00 41.12 39.92 2ww3 n ASP 704 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ww3 s SER 705 N -6.97 0.12 -0.10 1.67 1.04 -1.23 -4.91 113.70 103.32 2ww3 s SER 705 Ca -0.26 -0.85 -0.11 0.00 0.48 0.00 0.00 55.95 55.21 2ww3 s SER 705 Cb 0.06 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2ww3 s SER 705 CO 0.69 -0.81 0.30 -0.32 0.98 0.00 0.00 173.24 174.08 2ww3 s MET 706 N -3.94 0.41 0.26 4.02 1.75 -1.26 -2.00 119.30 118.55 2ww3 s MET 706 Ca 0.14 0.31 0.03 0.00 -1.25 0.00 0.00 55.69 54.92 2ww3 s MET 706 Cb 0.04 0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.87 2ww3 s MET 706 CO -0.03 -0.07 0.19 -1.54 -0.65 0.00 0.00 175.02 172.92 2ww3 s SER 707 N -0.12 0.93 -0.31 1.11 1.04 -0.54 0.35 113.70 116.17 2ww3 s SER 707 Ca -0.03 -1.56 0.06 0.00 0.48 0.00 0.00 55.95 54.91 2ww3 s SER 707 Cb -0.03 0.45 0.19 0.00 0.10 0.00 0.00 66.02 66.73 2ww3 s SER 707 CO 0.01 -0.93 0.58 0.12 0.98 0.00 0.00 173.24 174.00 2ww3 s PHE 708 N -3.81 -1.77 -1.26 5.02 2.19 -0.92 -1.68 117.98 115.76 2ww3 s PHE 708 Ca 0.39 0.89 -0.04 0.00 0.33 0.00 0.00 56.93 58.50 2ww3 s PHE 708 Cb 0.05 0.27 -0.01 0.00 -1.31 0.00 0.00 43.02 42.03 2ww3 s PHE 708 CO 0.19 -1.09 0.71 0.09 1.83 0.00 0.00 175.22 176.95 2ww3 n ASN 709 N 5.26 -2.21 0.00 6.13 5.03 -1.01 -3.07 115.26 125.38 2ww3 n ASN 709 Ca 0.06 -0.85 0.00 0.00 0.87 0.00 0.00 54.58 54.65 2ww3 n ASN 709 Cb 0.54 -3.99 0.00 0.00 -1.02 0.00 0.00 39.78 35.31 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 -1.59 1.64 3.31 7.41 0.00 -1.26 -5.01 105.19 109.69 2ww3 n GLY 710 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.14 2.64 0.27 4.61 0.00 -1.17 -5.08 121.76 119.89 2ww3 s ALA 711 Ca 0.00 -1.03 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 2ww3 s ALA 711 Cb 0.00 -1.36 -0.15 0.00 0.00 0.00 0.00 23.12 21.60 2ww3 s ALA 711 CO 0.00 -0.05 0.65 -3.47 0.00 0.00 0.00 175.76 172.89 2ww3 n ASP 712 N 4.09 -0.50 -3.66 0.00 2.03 -1.26 -2.17 116.55 115.08 2ww3 n ASP 712 Ca -0.19 1.10 -0.27 0.00 0.52 0.00 0.00 54.79 55.95 2ww3 n ASP 712 Cb 0.52 -1.07 -0.17 0.00 -0.72 0.00 0.00 41.12 39.68 2ww3 n ASP 712 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2ww3 s HIS 713 N -1.13 0.59 -0.53 -0.67 5.65 0.15 -4.84 115.29 114.52 2ww3 s HIS 713 Ca 0.62 -0.60 0.05 0.00 0.25 0.00 0.00 55.06 55.38 2ww3 s HIS 713 Cb -0.79 -0.87 0.01 0.00 -1.18 0.00 0.00 32.58 29.75 2ww3 s HIS 713 CO 0.58 -0.58 0.51 0.25 -0.65 0.00 0.00 174.74 174.86 2ww3 n THR 714 N 5.17 0.00 -1.53 0.89 -2.24 -1.26 -4.00 114.28 111.31 2ww3 n THR 714 Ca -0.08 -0.46 -0.35 0.00 -2.27 0.00 0.00 64.05 60.90 2ww3 n THR 714 Cb 0.48 1.08 0.08 0.00 -2.10 0.00 0.00 70.33 69.87 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 -0.80 2.28 -0.17 -0.78 1.02 -1.26 -3.84 119.74 116.19 2ww3 s LYS 715 Ca 0.05 1.77 0.09 0.00 0.02 0.00 0.00 55.97 57.90 2ww3 s LYS 715 Cb 0.04 -1.85 0.56 0.00 -0.52 0.00 0.00 37.83 36.07 2ww3 s LYS 715 CO 0.11 -1.73 1.38 0.09 -0.92 0.00 0.00 175.35 174.28 2ww3 n ASN 716 N -2.54 4.24 -3.80 2.83 5.03 -0.23 -4.93 115.26 115.86 2ww3 n ASN 716 Ca 0.13 -2.67 -0.10 0.00 0.87 0.00 0.00 54.58 52.82 2ww3 n ASN 716 Cb 0.50 -0.64 -0.05 0.00 -1.02 0.00 0.00 39.78 38.58 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 -2.22 0.04 0.03 3.10 1.13 -1.26 -0.03 117.35 118.15 2ww3 s TYR 717 Ca 0.38 -0.40 0.04 0.00 -1.41 0.00 0.00 57.07 55.69 2ww3 s TYR 717 Cb 0.29 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 41.36 2ww3 s TYR 717 CO 0.11 -0.83 -0.13 -0.51 -2.51 0.00 0.00 175.55 171.67 2ww3 s LEU 718 N -2.90 2.16 -0.16 -3.49 1.43 0.14 -4.91 118.68 110.95 2ww3 s LEU 718 Ca 0.11 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2ww3 s LEU 718 Cb 0.01 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 2ww3 s LEU 718 CO -0.03 0.03 0.11 -0.13 0.23 0.00 0.00 176.35 176.56 2ww3 s ARG 719 N -1.07 3.82 0.16 1.70 0.52 -1.26 -0.23 118.95 122.59 2ww3 s ARG 719 Ca 0.01 -0.23 -0.19 0.00 -0.52 0.00 0.00 55.73 54.80 2ww3 s ARG 719 Cb -0.08 -3.26 0.08 0.00 0.52 0.00 0.00 34.95 32.22 2ww3 s ARG 719 CO 0.01 0.48 1.25 1.58 0.02 0.00 0.00 175.30 178.64 2ww3 n HIS 720 N 2.91 -0.14 -0.12 -0.53 -0.00 0.40 -1.18 115.22 116.56 2ww3 n HIS 720 Ca -0.18 1.00 -0.00 0.00 -0.00 0.00 0.00 57.72 58.55 2ww3 n HIS 720 Cb 0.53 -0.70 0.27 0.00 -0.00 0.00 0.00 29.99 30.09 2ww3 n HIS 720 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2ww3 h GLU 721 N 0.00 0.79 -0.33 1.57 3.07 -1.94 -1.66 114.58 116.07 2ww3 h GLU 721 Ca 0.21 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 58.84 2ww3 h GLU 721 Cb 0.42 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2ww3 h GLU 721 CO -0.78 0.62 -0.33 -0.44 -1.40 0.00 0.00 179.01 176.68 2ww3 h ASP 722 N 0.79 0.76 -0.08 1.42 3.32 -1.54 -2.66 116.42 118.42 2ww3 h ASP 722 Ca 0.20 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2ww3 h ASP 722 Cb 0.09 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2ww3 h ASP 722 CO -0.03 1.02 0.04 -0.07 -1.72 0.00 0.00 179.24 178.49 2ww3 h LEU 723 N 0.61 0.11 -2.17 1.55 3.38 -0.92 -2.96 115.31 114.91 2ww3 h LEU 723 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ww3 h LEU 723 Cb 0.85 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2ww3 h LEU 723 CO 0.07 0.20 -0.02 -0.26 0.09 0.00 0.00 178.44 178.53 2ww3 h PHE 724 N 0.01 0.00 0.00 1.13 -1.00 -1.25 0.11 116.94 115.95 2ww3 h PHE 724 Ca 0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 2ww3 h PHE 724 Cb 0.12 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.68 2ww3 h PHE 724 CO -0.03 0.02 -0.05 0.87 -1.61 0.00 0.00 178.31 177.52 2ww3 h LYS 725 N 0.00 0.00 0.00 1.51 6.56 -1.29 -3.45 116.57 119.90 2ww3 h LYS 725 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2ww3 h LYS 725 Cb 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2ww3 h LYS 725 CO 0.00 0.05 0.00 0.41 -2.06 0.00 0.00 179.45 177.85 2ww3 n GLY 726 N -1.30 -1.99 0.00 3.86 0.00 0.39 -4.88 105.19 101.27 2ww3 n GLY 726 Ca -0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.03 -0.28 3.21 -0.02 0.00 -0.68 -4.88 105.19 102.51 2ww3 n GLY 727 Ca 0.00 -2.07 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 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 1.62 -0.14 2.61 2.01 -1.26 -1.26 115.64 119.21 2ww3 s THR 728 Ca 0.00 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 2ww3 s THR 728 Cb 0.00 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.14 2ww3 s THR 728 CO 0.00 0.46 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.68 2ww3 s ILE 729 N -0.42 3.53 -0.18 1.82 1.01 0.05 -2.40 121.20 124.61 2ww3 s ILE 729 Ca 0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 2ww3 s ILE 729 Cb -0.08 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2ww3 s ILE 729 CO -0.00 0.51 -0.04 -0.75 0.00 0.00 0.00 174.94 174.65 2ww3 s LYS 730 N 0.35 3.56 -0.23 2.79 2.47 -0.67 -0.79 119.74 127.20 2ww3 s LYS 730 Ca -0.07 -0.57 0.01 0.00 -1.56 0.00 0.00 55.97 53.78 2ww3 s LYS 730 Cb -0.15 -2.94 0.04 0.00 -1.46 0.00 0.00 37.83 33.32 2ww3 s LYS 730 CO 0.04 0.08 -0.12 0.08 0.16 0.00 0.00 175.35 175.60 2ww3 s VAL 731 N 0.77 2.39 -0.30 4.02 1.01 -0.41 -1.46 120.40 126.42 2ww3 s VAL 731 Ca -0.02 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.50 2ww3 s VAL 731 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2ww3 s VAL 731 CO 0.02 0.21 0.82 -0.62 0.00 0.00 0.00 175.10 175.52 2ww3 s ASP 732 N 1.23 6.71 0.11 3.32 2.15 -0.85 -4.35 116.67 125.00 2ww3 s ASP 732 Ca -0.02 0.76 -0.03 0.00 0.43 0.00 0.00 52.55 53.69 2ww3 s ASP 732 Cb -0.17 -2.42 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 2ww3 s ASP 732 CO -0.07 -0.61 0.31 -0.04 -0.17 0.00 0.00 175.17 174.59 2ww3 s MET 733 N 2.98 3.55 0.02 4.34 -1.94 -1.26 -0.87 119.30 126.13 2ww3 s MET 733 Ca 0.34 -0.22 -0.12 0.00 -1.71 0.00 0.00 55.69 53.98 2ww3 s MET 733 Cb -0.14 -2.92 0.01 0.00 2.01 0.00 0.00 34.83 33.79 2ww3 s MET 733 CO 0.12 0.52 0.24 0.45 -0.01 0.00 0.00 175.02 176.34 2ww3 s SER 734 N -2.46 -0.06 0.00 3.03 0.15 -0.51 -4.85 113.70 109.00 2ww3 s SER 734 Ca 0.39 -0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.91 2ww3 s SER 734 Cb -0.12 0.30 0.23 0.00 -1.71 0.00 0.00 66.02 64.72 2ww3 s SER 734 CO 0.26 -0.52 1.18 -0.46 1.20 0.00 0.00 173.24 174.90 2ww3 n ASN 735 N 0.89 0.99 -3.99 5.45 6.94 -1.26 -1.44 115.26 122.85 2ww3 n ASN 735 Ca -0.20 -1.96 -0.13 0.00 -0.02 0.00 0.00 54.58 52.26 2ww3 n ASN 735 Cb 0.58 -0.12 -0.13 0.00 -2.36 0.00 0.00 39.78 37.75 2ww3 n ASN 735 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2ww3 s ARG 736 N -1.76 0.39 0.16 -3.83 0.52 -1.26 -4.93 118.95 108.24 2ww3 s ARG 736 Ca 0.14 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.63 2ww3 s ARG 736 Cb 0.07 -0.24 -0.08 0.00 0.52 0.00 0.00 34.95 35.22 2ww3 s ARG 736 CO 0.10 0.05 1.32 -1.25 0.02 0.00 0.00 175.30 175.54 2ww3 s PRO 737 N -0.79 4.38 -1.04 3.54 0.04 -1.26 -4.80 135.00 135.07 2ww3 s PRO 737 Ca -0.05 2.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 2ww3 s PRO 737 Cb -0.06 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.33 2ww3 s PRO 737 CO -0.00 -0.30 1.42 1.21 0.04 0.00 0.00 177.00 179.38 2ww3 s ASN 738 N 0.60 6.57 0.08 6.66 3.84 -1.26 -4.83 114.94 126.59 2ww3 s ASN 738 Ca 0.59 -1.69 0.04 0.00 0.21 0.00 0.00 52.86 52.01 2ww3 s ASN 738 Cb -0.36 -2.54 0.23 0.00 -0.55 0.00 0.00 41.25 38.03 2ww3 s ASN 738 CO 0.35 -1.38 1.04 0.18 -2.79 0.00 0.00 177.10 174.50 2ww3 n LEU 739 N 8.36 0.11 -0.38 3.21 4.32 -1.26 -2.45 117.00 128.91 2ww3 n LEU 739 Ca 0.33 0.47 0.04 0.00 -0.02 0.00 0.00 56.01 56.82 2ww3 n LEU 739 Cb 0.50 -0.47 0.07 0.00 -1.62 0.00 0.00 43.42 41.90 2ww3 n LEU 739 CO 0.64 -0.50 0.50 0.59 -1.22 0.00 0.00 177.39 177.40 2ww3 n ASN 740 N -1.58 2.22 -4.60 -1.43 4.13 -1.26 -4.96 115.26 107.78 2ww3 n ASN 740 Ca -0.00 -1.72 -0.34 0.00 1.68 0.00 0.00 54.58 54.19 2ww3 n ASN 740 Cb 0.11 -0.09 -0.11 0.00 -1.54 0.00 0.00 39.78 38.16 2ww3 n ASN 740 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2ww3 s ARG 741 N -0.85 3.61 0.00 3.52 3.52 -1.02 -4.58 118.95 123.15 2ww3 s ARG 741 Ca 0.13 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 2ww3 s ARG 741 Cb 0.07 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2ww3 s ARG 741 CO 0.10 0.38 0.00 0.41 -0.81 0.00 0.00 175.30 175.38 2ww3 n GLY 742 N 3.16 0.63 0.44 8.12 0.00 -1.25 -4.72 105.19 111.57 2ww3 n GLY 742 Ca -0.17 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.84 0.00 -2.26 2.61 -2.24 -1.26 -4.60 114.28 103.70 2ww3 n THR 743 Ca 0.00 -0.30 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 2ww3 n THR 743 Cb 0.09 1.23 -0.02 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 -2.17 3.79 0.20 -0.78 1.02 -1.26 -4.85 119.74 115.69 2ww3 s LYS 744 Ca 0.16 0.81 -0.10 0.00 0.02 0.00 0.00 55.97 56.86 2ww3 s LYS 744 Cb 0.15 -2.15 0.14 0.00 -0.52 0.00 0.00 37.83 35.45 2ww3 s LYS 744 CO 0.48 -0.35 1.79 1.49 -0.92 0.00 0.00 175.35 177.84 2ww3 h GLU 745 N 0.48 1.05 0.00 1.68 4.22 -1.98 -1.24 114.58 118.79 2ww3 h GLU 745 Ca -0.46 -0.15 -0.02 0.00 0.08 0.00 0.00 59.36 58.81 2ww3 h GLU 745 Cb 1.19 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2ww3 h GLU 745 CO 0.62 0.82 -0.09 1.05 -2.18 0.00 0.00 179.01 179.23 2ww3 h GLU 746 N 1.03 0.00 0.00 1.92 4.11 -2.00 -1.24 114.58 118.40 2ww3 h GLU 746 Ca 0.25 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.64 2ww3 h GLU 746 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2ww3 h GLU 746 CO -0.03 0.09 -0.19 -0.44 0.07 0.00 0.00 179.01 178.51 2ww3 h ASP 747 N 0.00 0.00 -3.80 3.06 3.32 -1.54 -3.46 116.42 114.00 2ww3 h ASP 747 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2ww3 h ASP 747 Cb 0.23 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.81 2ww3 h ASP 747 CO 0.01 0.19 0.53 -0.04 -1.72 0.00 0.00 179.24 178.22 2ww3 s MET 748 N -4.00 4.54 0.97 3.56 -1.94 -0.47 -1.07 119.30 120.88 2ww3 s MET 748 Ca -0.02 1.94 -0.16 0.00 -1.71 0.00 0.00 55.69 55.74 2ww3 s MET 748 Cb 0.12 -3.16 0.24 0.00 2.01 0.00 0.00 34.83 34.04 2ww3 s MET 748 CO 0.62 0.06 0.89 -0.35 -0.01 0.00 0.00 175.02 176.23 2ww3 n PRO 749 N 1.19 -2.60 -1.65 2.03 -0.04 -1.26 -4.93 135.00 127.74 2ww3 n PRO 749 Ca -0.00 -1.42 -0.43 0.00 -0.04 0.00 0.00 63.50 61.61 2ww3 n PRO 749 Cb 0.44 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.60 2ww3 n PRO 749 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2ww3 n TYR 750 N -4.32 1.77 -3.74 0.54 9.36 -1.26 -5.03 117.16 114.48 2ww3 n TYR 750 Ca 0.12 0.60 -0.13 0.00 3.32 0.00 0.00 57.90 61.81 2ww3 n TYR 750 Cb 0.47 -2.33 -0.14 0.00 -0.63 0.00 0.00 39.34 36.71 2ww3 n TYR 750 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2ww3 s SER 751 N -0.47 -0.18 0.11 2.98 0.01 -1.26 -4.59 113.70 110.31 2ww3 s SER 751 Ca 0.58 0.40 -0.29 0.00 1.31 0.00 0.00 55.95 57.94 2ww3 s SER 751 Cb -0.61 0.28 -0.10 0.00 0.21 0.00 0.00 66.02 65.81 2ww3 s SER 751 CO 0.60 -0.16 1.61 0.15 0.41 0.00 0.00 173.24 175.86 2ww3 h PHE 752 N 7.22 -0.93 -0.92 2.43 3.57 -0.81 -2.33 116.94 125.18 2ww3 h PHE 752 Ca -0.42 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.30 2ww3 h PHE 752 Cb 1.15 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 40.20 2ww3 h PHE 752 CO 0.40 -0.45 0.60 0.66 -2.23 0.00 0.00 178.31 177.29 2ww3 h SER 753 N -0.60 0.47 -0.74 0.41 4.64 -1.92 0.56 113.55 116.37 2ww3 h SER 753 Ca 0.02 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 2ww3 h SER 753 Cb 0.61 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 2ww3 h SER 753 CO -0.17 0.19 0.25 0.11 -0.87 0.00 0.00 176.83 176.34 2ww3 h LYS 754 N 0.47 1.13 0.00 4.77 1.57 -1.83 -3.52 116.57 119.16 2ww3 h LYS 754 Ca 0.48 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2ww3 h LYS 754 Cb 1.12 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2ww3 h LYS 754 CO -0.20 0.95 0.00 0.39 -0.57 0.00 0.00 179.45 180.02