#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww3 s ASP 21 N 0.00 5.68 -0.01 -5.58 2.15 -1.26 -4.97 116.67 112.68 2ww3 s ASP 21 Ca 0.00 0.07 0.22 0.00 0.43 0.00 0.00 52.55 53.27 2ww3 s ASP 21 Cb 0.00 -1.98 -0.31 0.00 -0.30 0.00 0.00 42.92 40.32 2ww3 s ASP 21 CO 0.00 0.15 0.53 0.79 -0.17 0.00 0.00 175.17 176.47 2ww3 n TRP 22 N 3.72 0.06 0.29 -5.34 8.01 -1.26 -4.38 117.44 118.55 2ww3 n TRP 22 Ca -0.16 0.02 0.16 0.00 -1.31 0.00 0.00 57.50 56.20 2ww3 n TRP 22 Cb 0.52 -0.52 0.90 0.00 -2.01 0.00 0.00 31.31 30.20 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 0.45 -0.01 -0.99 1.35 -1.93 -1.51 112.91 110.27 2ww3 h THR 23 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2ww3 h THR 23 Cb 0.99 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2ww3 h THR 23 CO 0.00 0.04 0.02 0.06 -0.25 0.00 0.00 175.52 175.39 2ww3 h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.02 -1.47 115.11 119.41 2ww3 h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ww3 h GLN 24 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 2ww3 h GLN 24 CO 0.00 0.00 -0.52 0.66 0.09 0.00 0.00 178.83 179.06 2ww3 n TYR 25 N -3.58 0.48 -2.89 0.06 4.01 -0.57 -4.91 117.16 109.76 2ww3 n TYR 25 Ca -0.03 0.14 -0.41 0.00 -0.16 0.00 0.00 57.90 57.44 2ww3 n TYR 25 Cb 0.10 -0.61 -0.04 0.00 -0.31 0.00 0.00 39.34 38.48 2ww3 n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ww3 s VAL 26 N -3.13 4.87 -0.47 -0.72 1.01 -0.56 -4.18 120.40 117.23 2ww3 s VAL 26 Ca 0.08 1.63 -0.05 0.00 0.00 0.00 0.00 61.98 63.63 2ww3 s VAL 26 Cb 0.14 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.51 2ww3 s VAL 26 CO 0.70 0.01 0.30 0.21 0.00 0.00 0.00 175.10 176.31 2ww3 s ASN 27 N 1.18 5.43 0.29 3.32 2.47 -1.26 -4.76 114.94 121.62 2ww3 s ASN 27 Ca 0.38 -2.12 0.22 0.00 0.42 0.00 0.00 52.86 51.76 2ww3 s ASN 27 Cb -0.16 -1.90 1.09 0.00 -1.45 0.00 0.00 41.25 38.82 2ww3 s ASN 27 CO 0.12 -0.57 1.67 -2.65 -3.72 0.00 0.00 177.10 171.95 2ww3 n PRO 28 N 4.53 0.16 0.00 0.43 -0.02 -1.26 -1.54 135.00 137.29 2ww3 n PRO 28 Ca -0.02 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 2ww3 n PRO 28 Cb 0.41 -1.92 0.69 0.00 -0.02 0.00 0.00 33.50 32.65 2ww3 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww3 n LEU 29 N -2.24 0.36 -4.66 2.45 4.77 -1.26 -3.57 117.00 112.84 2ww3 n LEU 29 Ca -0.00 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 2ww3 n LEU 29 Cb 0.11 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2ww3 n LEU 29 CO 0.13 0.07 1.27 -0.32 -1.33 0.00 0.00 177.39 177.21 2ww3 s MET 30 N -2.40 4.20 0.00 3.23 1.75 -0.59 -1.42 119.30 124.07 2ww3 s MET 30 Ca 0.32 2.02 0.00 0.00 -1.25 0.00 0.00 55.69 56.78 2ww3 s MET 30 Cb 0.20 -3.90 0.00 0.00 2.84 0.00 0.00 34.83 33.98 2ww3 s MET 30 CO 0.45 -0.79 0.00 0.41 -0.65 0.00 0.00 175.02 174.44 2ww3 n GLY 31 N 3.95 0.34 0.17 2.11 0.00 0.11 -4.72 105.19 107.15 2ww3 n GLY 31 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.35 1.61 4.64 -0.57 -2.56 113.55 115.32 2ww3 h SER 32 Ca 0.00 -0.01 -0.73 0.00 -0.47 0.00 0.00 61.79 60.58 2ww3 h SER 32 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2ww3 h SER 32 CO 0.00 0.00 2.00 1.67 -0.87 0.00 0.00 176.83 179.63 2ww3 n GLN 33 N -2.72 3.35 -3.85 4.77 7.27 -0.95 -1.34 117.38 123.90 2ww3 n GLN 33 Ca 0.04 -3.46 -0.13 0.00 0.07 0.00 0.00 57.00 53.53 2ww3 n GLN 33 Cb 0.49 -3.12 -0.14 0.00 2.41 0.00 0.00 30.24 29.87 2ww3 n GLN 33 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2ww3 s SER 34 N 2.47 0.02 0.33 1.69 0.15 -1.26 -4.39 113.70 112.71 2ww3 s SER 34 Ca 0.44 0.01 0.07 0.00 0.70 0.00 0.00 55.95 57.17 2ww3 s SER 34 Cb 0.05 -0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.28 2ww3 s SER 34 CO 0.00 -0.02 -0.03 0.42 1.20 0.00 0.00 173.24 174.80 2ww3 s THR 35 N 0.21 1.78 0.26 6.45 -4.23 -1.02 -4.94 115.64 114.14 2ww3 s THR 35 Ca -0.02 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.37 2ww3 s THR 35 Cb -0.03 -2.67 0.23 0.00 1.34 0.00 0.00 72.50 71.38 2ww3 s THR 35 CO -0.01 -0.16 1.80 0.15 -0.54 0.00 0.00 174.62 175.86 2ww3 h PHE 36 N 2.09 0.90 -0.00 3.99 3.57 -2.02 -3.05 116.94 122.41 2ww3 h PHE 36 Ca -0.41 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.99 2ww3 h PHE 36 Cb 1.24 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2ww3 h PHE 36 CO 0.69 0.33 -0.59 0.93 -2.23 0.00 0.00 178.31 177.45 2ww3 h GLU 37 N 0.80 0.01 -1.97 1.11 3.07 -1.96 -3.39 114.58 112.25 2ww3 h GLU 37 Ca 0.43 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.14 2ww3 h GLU 37 Cb 0.45 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.07 2ww3 h GLU 37 CO -0.27 0.60 -0.46 -1.17 -1.40 0.00 0.00 179.01 176.30 2ww3 s LEU 38 N -7.70 -0.64 0.04 1.33 2.96 -1.15 -4.20 118.68 109.30 2ww3 s LEU 38 Ca -0.02 0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 54.00 2ww3 s LEU 38 Cb 0.13 1.16 -0.06 0.00 0.50 0.00 0.00 46.19 47.92 2ww3 s LEU 38 CO 0.76 -0.29 0.71 -0.55 -1.32 0.00 0.00 176.35 175.66 2ww3 s SER 39 N 2.56 7.15 -0.30 3.68 0.15 -1.25 -2.44 113.70 123.25 2ww3 s SER 39 Ca 0.11 1.37 0.10 0.00 0.70 0.00 0.00 55.95 58.23 2ww3 s SER 39 Cb -0.15 -2.44 0.57 0.00 -1.71 0.00 0.00 66.02 62.29 2ww3 s SER 39 CO -0.15 0.05 1.57 0.35 1.20 0.00 0.00 173.24 176.26 2ww3 n THR 40 N 2.72 2.65 0.00 6.45 -2.24 -1.26 -3.39 114.28 119.21 2ww3 n THR 40 Ca -0.04 -2.30 0.00 0.00 -2.27 0.00 0.00 64.05 59.44 2ww3 n THR 40 Cb 0.50 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.88 2.62 3.75 3.38 0.00 -0.86 -1.49 105.19 111.70 2ww3 n GLY 41 Ca 0.36 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.40 -4.88 1.61 3.02 -1.06 -0.03 115.26 111.53 2ww3 n ASN 42 Ca 0.00 -0.79 -0.21 0.00 -0.03 0.00 0.00 54.58 53.54 2ww3 n ASN 42 Cb 0.00 -4.07 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 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 -3.55 2.51 0.19 3.41 -4.23 -0.99 -4.58 115.64 108.40 2ww3 s THR 43 Ca 0.21 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 2ww3 s THR 43 Cb -0.10 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 2ww3 s THR 43 CO 0.81 0.00 -0.03 -0.72 -0.54 0.00 0.00 174.62 174.14 2ww3 s TYR 44 N -2.52 1.37 -0.67 3.99 1.13 -1.26 -4.01 117.35 115.38 2ww3 s TYR 44 Ca 0.47 -0.90 -0.26 0.00 -1.41 0.00 0.00 57.07 54.97 2ww3 s TYR 44 Cb -0.03 -0.77 -0.02 0.00 -1.10 0.00 0.00 41.96 40.05 2ww3 s TYR 44 CO 0.27 -0.05 1.81 -2.14 -2.51 0.00 0.00 175.55 172.94 2ww3 s PRO 45 N -3.84 2.68 -0.69 -3.49 0.02 -1.23 -4.91 135.00 123.54 2ww3 s PRO 45 Ca 0.24 0.38 -0.26 0.00 0.02 0.00 0.00 61.00 61.37 2ww3 s PRO 45 Cb 0.05 -4.48 0.04 0.00 0.02 0.00 0.00 34.50 30.13 2ww3 s PRO 45 CO 0.05 -2.76 1.19 0.00 -0.33 0.00 0.00 177.00 175.15 2ww3 s ALA 46 N 8.84 2.88 -0.37 -1.55 0.00 -1.26 -4.44 121.76 125.85 2ww3 s ALA 46 Ca 0.64 -1.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 2ww3 s ALA 46 Cb -0.11 -4.12 0.01 0.00 0.00 0.00 0.00 23.12 18.90 2ww3 s ALA 46 CO 0.17 -3.04 0.74 0.42 0.00 0.00 0.00 175.76 174.05 2ww3 s ILE 47 N 5.21 4.77 0.09 0.00 -1.09 -0.70 -4.80 121.20 124.68 2ww3 s ILE 47 Ca 0.34 0.76 -0.27 0.00 -2.23 0.00 0.00 60.65 59.25 2ww3 s ILE 47 Cb -0.10 -4.18 0.08 0.00 -1.58 0.00 0.00 42.46 36.69 2ww3 s ILE 47 CO 0.16 -0.43 1.08 0.00 -1.23 0.00 0.00 174.94 174.52 2ww3 s ALA 48 N 3.01 -1.86 0.45 9.38 0.00 -0.50 -1.47 121.76 130.76 2ww3 s ALA 48 Ca 0.29 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 2ww3 s ALA 48 Cb -0.13 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 2ww3 s ALA 48 CO 0.17 -1.04 0.71 1.03 0.00 0.00 0.00 175.76 176.62 2ww3 s ARG 49 N -2.98 3.37 0.05 0.00 1.81 -1.26 -4.48 118.95 115.46 2ww3 s ARG 49 Ca 0.13 -0.11 -0.36 0.00 -1.72 0.00 0.00 55.73 53.67 2ww3 s ARG 49 Cb 0.01 -2.48 -0.15 0.00 -0.45 0.00 0.00 34.95 31.87 2ww3 s ARG 49 CO -0.00 -0.16 1.52 -2.30 -0.68 0.00 0.00 175.30 173.68 2ww3 n PRO 50 N -2.12 1.57 -1.91 3.54 -0.02 -1.26 -1.33 135.00 133.47 2ww3 n PRO 50 Ca -0.00 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 61.86 2ww3 n PRO 50 Cb 0.56 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.58 -0.52 -1.81 6.00 8.01 -0.27 -4.90 117.44 127.53 2ww3 n TRP 51 Ca 0.19 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.98 2ww3 n TRP 51 Cb 0.22 -3.42 0.01 0.00 -2.01 0.00 0.00 31.31 26.11 2ww3 n TRP 51 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2ww3 s GLY 52 N -2.36 2.92 0.20 6.99 0.00 -0.45 -0.18 107.32 114.45 2ww3 s GLY 52 Ca 0.00 1.48 -0.06 0.00 0.00 0.00 0.00 44.72 46.14 2ww3 s GLY 52 CO 0.00 2.10 1.60 1.98 0.00 0.00 0.00 173.10 178.78 2ww3 h MET 53 N 2.44 0.82 -5.21 2.90 4.05 -1.24 -3.38 114.93 115.31 2ww3 h MET 53 Ca -0.51 -0.34 -0.67 0.00 -0.28 0.00 0.00 59.70 57.90 2ww3 h MET 53 Cb 1.26 -0.03 -0.33 0.00 -0.80 0.00 0.00 31.60 31.70 2ww3 h MET 53 CO 0.62 0.97 -0.86 -0.80 0.23 0.00 0.00 176.91 177.07 2ww3 s ASN 54 N -6.76 3.20 0.30 1.39 0.01 -0.88 -4.90 114.94 107.30 2ww3 s ASN 54 Ca -0.10 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.48 2ww3 s ASN 54 Cb 0.13 -1.46 -0.03 0.00 0.41 0.00 0.00 41.25 40.29 2ww3 s ASN 54 CO 0.84 0.09 0.49 -0.36 -1.51 0.00 0.00 177.10 176.65 2ww3 s PHE 55 N 0.78 3.49 0.01 2.20 0.40 -1.08 -4.71 117.98 119.08 2ww3 s PHE 55 Ca -0.07 0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.59 2ww3 s PHE 55 Cb -0.16 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 2ww3 s PHE 55 CO -0.01 0.22 -0.12 -1.58 0.70 0.00 0.00 175.22 174.44 2ww3 s TRP 56 N -2.17 1.03 -0.03 0.36 0.52 -0.54 -1.47 118.94 116.64 2ww3 s TRP 56 Ca 0.39 -0.26 -0.11 0.00 0.02 0.00 0.00 56.10 56.14 2ww3 s TRP 56 Cb -0.10 -0.64 0.02 0.00 -1.15 0.00 0.00 33.47 31.60 2ww3 s TRP 56 CO 0.33 -0.00 0.24 -0.08 0.02 0.00 0.00 176.95 177.46 2ww3 s THR 57 N -0.53 0.05 0.57 2.01 -1.32 -0.50 -1.71 115.64 114.21 2ww3 s THR 57 Ca 0.02 -0.42 -0.21 0.00 -1.21 0.00 0.00 61.69 59.88 2ww3 s THR 57 Cb -0.06 -0.50 -0.04 0.00 -1.51 0.00 0.00 72.50 70.40 2ww3 s THR 57 CO 0.00 -0.23 1.32 -2.16 -2.21 0.00 0.00 174.62 171.34 2ww3 s PRO 58 N -0.97 3.00 -0.18 7.08 0.04 -1.26 -0.65 135.00 142.07 2ww3 s PRO 58 Ca -0.10 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.08 2ww3 s PRO 58 Cb -0.05 -2.13 0.02 0.00 0.04 0.00 0.00 34.50 32.38 2ww3 s PRO 58 CO 0.02 -1.27 -0.17 -1.14 0.04 0.00 0.00 177.00 174.49 2ww3 s GLN 59 N -3.05 2.66 -0.18 4.56 0.74 -0.22 -4.62 119.66 119.55 2ww3 s GLN 59 Ca 0.75 -0.78 0.14 0.00 0.05 0.00 0.00 55.36 55.52 2ww3 s GLN 59 Cb -0.38 -2.43 -0.21 0.00 1.10 0.00 0.00 33.01 31.08 2ww3 s GLN 59 CO 0.44 -0.25 0.04 0.25 -0.55 0.00 0.00 175.29 175.21 2ww3 n THR 60 N 4.66 1.23 -1.59 -0.34 -2.24 0.54 -0.61 114.28 115.92 2ww3 n THR 60 Ca -0.19 -0.73 -0.31 0.00 -2.27 0.00 0.00 64.05 60.56 2ww3 n THR 60 Cb 0.49 -0.60 0.05 0.00 -2.10 0.00 0.00 70.33 68.17 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 -5.28 1.66 0.62 3.38 0.00 -0.59 -4.73 107.32 102.38 2ww3 s GLY 61 Ca -0.11 0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.49 2ww3 s GLY 61 CO 0.71 0.34 1.04 0.54 0.00 0.00 0.00 173.10 175.73 2ww3 s LYS 62 N -5.08 3.33 0.12 2.90 1.02 -1.26 -4.89 119.74 115.88 2ww3 s LYS 62 Ca 0.58 0.98 -0.35 0.00 0.02 0.00 0.00 55.97 57.20 2ww3 s LYS 62 Cb -0.14 -2.04 -0.16 0.00 -0.52 0.00 0.00 37.83 34.97 2ww3 s LYS 62 CO 0.55 -0.79 1.36 -0.12 -0.92 0.00 0.00 175.35 175.43 2ww3 n MET 63 N -2.52 1.39 0.00 1.68 0.00 -1.26 -1.68 117.12 114.73 2ww3 n MET 63 Ca 0.07 0.50 0.00 0.00 -0.00 0.00 0.00 57.70 58.27 2ww3 n MET 63 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.61 2ww3 n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ww3 n GLY 64 N 2.60 3.14 3.73 -5.12 0.00 -1.26 -5.04 105.19 103.24 2ww3 n GLY 64 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2ww3 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww3 s ASP 65 N 0.19 6.79 0.51 1.61 -1.08 -0.68 -4.90 116.67 119.12 2ww3 s ASP 65 Ca 0.00 2.44 0.30 0.00 -0.52 0.00 0.00 52.55 54.77 2ww3 s ASP 65 Cb 0.00 -2.60 1.16 0.00 -1.46 0.00 0.00 42.92 40.02 2ww3 s ASP 65 CO 0.00 -0.64 1.91 1.23 0.52 0.00 0.00 175.17 178.19 2ww3 h GLY 66 N 6.04 0.00 -6.35 2.66 0.00 -1.90 -3.22 103.07 100.31 2ww3 h GLY 66 Ca -0.44 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.14 2ww3 h GLY 66 CO 0.83 0.00 2.04 0.79 0.00 0.00 0.00 176.54 180.20 2ww3 n TRP 67 N -3.17 2.85 0.20 5.60 8.01 -1.26 -4.26 117.44 125.41 2ww3 n TRP 67 Ca 0.01 -2.78 0.09 0.00 -1.31 0.00 0.00 57.50 53.50 2ww3 n TRP 67 Cb 0.36 -1.91 0.31 0.00 -2.01 0.00 0.00 31.31 28.06 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 5.58 0.00 -3.73 -0.99 3.07 -1.92 -3.36 115.11 113.76 2ww3 h GLN 68 Ca 0.43 0.00 -0.40 0.00 0.09 0.00 0.00 58.65 58.77 2ww3 h GLN 68 Cb 0.59 0.00 -0.36 0.00 0.08 0.00 0.00 27.48 27.78 2ww3 h GLN 68 CO 1.60 0.25 -0.76 -0.47 0.09 0.00 0.00 178.83 179.54 2ww3 s TYR 69 N -3.40 0.54 -0.05 0.06 5.04 -1.26 -0.34 117.35 117.94 2ww3 s TYR 69 Ca 0.02 -0.09 0.02 0.00 -2.44 0.00 0.00 57.07 54.58 2ww3 s TYR 69 Cb 0.09 -0.65 0.01 0.00 0.35 0.00 0.00 41.96 41.76 2ww3 s TYR 69 CO 0.66 -0.24 -0.10 0.95 -1.34 0.00 0.00 175.55 175.49 2ww3 s THR 70 N 1.55 0.93 0.36 4.34 -4.23 -1.26 -4.76 115.64 112.57 2ww3 s THR 70 Ca -0.02 -0.38 0.15 0.00 -1.18 0.00 0.00 61.69 60.26 2ww3 s THR 70 Cb -0.13 -0.86 0.36 0.00 1.34 0.00 0.00 72.50 73.20 2ww3 s THR 70 CO -0.03 0.30 1.75 0.22 -0.54 0.00 0.00 174.62 176.32 2ww3 h TYR 71 N 6.88 0.82 0.00 3.99 5.03 -1.58 -1.04 116.97 131.06 2ww3 h TYR 71 Ca -0.33 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.01 2ww3 h TYR 71 Cb 1.17 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.22 2ww3 h TYR 71 CO 0.48 0.06 0.00 0.25 -1.32 0.00 0.00 178.16 177.63 2ww3 n THR 72 N -4.75 0.35 -1.86 1.81 -2.24 -1.26 -4.85 114.28 101.48 2ww3 n THR 72 Ca 0.26 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.50 2ww3 n THR 72 Cb 0.83 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.06 3.42 -0.49 6.98 0.00 -0.40 -4.93 121.76 123.28 2ww3 s ALA 73 Ca 0.12 1.47 0.23 0.00 0.00 0.00 0.00 51.96 53.78 2ww3 s ALA 73 Cb 0.15 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2ww3 s ALA 73 CO 0.56 -1.03 1.00 0.09 0.00 0.00 0.00 175.76 176.38 2ww3 n ASN 74 N 0.25 0.60 -3.93 0.00 3.02 -1.26 -4.97 115.26 108.97 2ww3 n ASN 74 Ca 0.02 -0.07 -0.15 0.00 -0.03 0.00 0.00 54.58 54.36 2ww3 n ASN 74 Cb 0.41 0.80 -0.14 0.00 -0.61 0.00 0.00 39.78 40.23 2ww3 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ww3 s LYS 75 N -3.25 0.29 -0.13 3.52 1.02 -1.26 -1.98 119.74 117.94 2ww3 s LYS 75 Ca 0.02 -0.13 -0.06 0.00 0.02 0.00 0.00 55.97 55.82 2ww3 s LYS 75 Cb 0.13 -0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 2ww3 s LYS 75 CO 0.80 0.08 0.07 0.42 -0.92 0.00 0.00 175.35 175.80 2ww3 s ILE 76 N -0.09 4.88 0.00 2.17 1.01 -0.27 -4.30 121.20 124.59 2ww3 s ILE 76 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2ww3 s ILE 76 Cb -0.01 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2ww3 s ILE 76 CO -0.00 0.56 0.62 -2.11 0.00 0.00 0.00 174.94 174.01 2ww3 n ARG 77 N 2.62 0.09 0.00 2.79 1.85 0.22 -1.38 116.66 122.84 2ww3 n ARG 77 Ca -0.18 -0.76 0.00 0.00 -1.00 0.00 0.00 57.85 55.91 2ww3 n ARG 77 Cb 0.53 -0.99 0.00 0.00 -1.05 0.00 0.00 32.46 30.96 2ww3 n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ww3 n GLY 78 N -0.13 0.61 3.17 2.89 0.00 -1.22 -4.81 105.19 105.69 2ww3 n GLY 78 Ca 0.00 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 2ww3 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww3 s PHE 79 N -2.00 2.78 -0.05 1.61 0.40 -0.17 -1.05 117.98 119.49 2ww3 s PHE 79 Ca 0.00 -1.41 0.05 0.00 -0.60 0.00 0.00 56.93 54.97 2ww3 s PHE 79 Cb 0.00 -1.92 -0.00 0.00 0.51 0.00 0.00 43.02 41.61 2ww3 s PHE 79 CO 0.00 -0.69 -0.20 0.21 0.70 0.00 0.00 175.22 175.24 2ww3 s LYS 80 N 1.15 2.15 0.04 0.44 2.20 0.18 -0.97 119.74 124.93 2ww3 s LYS 80 Ca 0.01 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.60 2ww3 s LYS 80 Cb -0.14 -1.82 -0.05 0.00 -1.51 0.00 0.00 37.83 34.31 2ww3 s LYS 80 CO -0.08 0.27 1.15 -1.14 -0.36 0.00 0.00 175.35 175.20 2ww3 s GLN 81 N 0.04 4.46 0.06 4.03 0.74 -0.36 -1.41 119.66 127.23 2ww3 s GLN 81 Ca -0.06 1.69 0.02 0.00 0.05 0.00 0.00 55.36 57.06 2ww3 s GLN 81 Cb -0.13 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 2ww3 s GLN 81 CO 0.03 -0.22 -0.07 -0.08 -0.55 0.00 0.00 175.29 174.41 2ww3 s THR 82 N 1.09 0.55 -0.03 -0.34 -1.32 -0.54 -3.26 115.64 111.78 2ww3 s THR 82 Ca 0.57 -1.46 0.05 0.00 -1.21 0.00 0.00 61.69 59.64 2ww3 s THR 82 Cb -0.28 -1.07 0.07 0.00 -1.51 0.00 0.00 72.50 69.71 2ww3 s THR 82 CO 0.29 -0.63 1.00 1.41 -2.21 0.00 0.00 174.62 174.48 2ww3 n HIS 83 N 0.78 0.00 -2.33 9.09 8.25 -1.25 -2.63 115.22 127.13 2ww3 n HIS 83 Ca -0.18 -0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 56.28 2ww3 n HIS 83 Cb 0.58 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2ww3 n HIS 83 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2ww3 s GLN 84 N -1.38 4.33 0.05 -0.41 0.74 -1.26 -4.88 119.66 116.84 2ww3 s GLN 84 Ca 0.08 1.84 -0.07 0.00 0.05 0.00 0.00 55.36 57.27 2ww3 s GLN 84 Cb 0.07 -3.52 -0.30 0.00 1.10 0.00 0.00 33.01 30.36 2ww3 s GLN 84 CO 0.01 -0.48 1.04 -1.00 -0.55 0.00 0.00 175.29 174.30 2ww3 h PRO 85 N 7.51 0.33 -3.09 1.67 0.13 -1.90 -3.48 132.00 133.17 2ww3 h PRO 85 Ca -0.37 -0.56 -0.04 0.00 -0.87 0.00 0.00 66.00 64.16 2ww3 h PRO 85 Cb 1.18 0.21 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 2ww3 h PRO 85 CO 0.88 1.25 0.09 -1.54 -0.23 0.00 0.00 178.00 178.45 2ww3 s SER 86 N -7.21 -0.44 0.59 1.44 1.04 -1.26 -4.62 113.70 103.24 2ww3 s SER 86 Ca -0.06 -0.08 0.35 0.00 0.48 0.00 0.00 55.95 56.64 2ww3 s SER 86 Cb 0.06 0.54 1.86 0.00 0.10 0.00 0.00 66.02 68.59 2ww3 s SER 86 CO 0.89 -0.89 2.21 1.55 0.98 0.00 0.00 173.24 177.97 2ww3 h PRO 87 N 2.23 0.00 -0.11 4.02 0.13 -1.81 -0.43 132.00 136.03 2ww3 h PRO 87 Ca -0.34 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.56 2ww3 h PRO 87 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 2ww3 h PRO 87 CO 0.41 0.04 -0.85 -1.49 -0.23 0.00 0.00 178.00 175.89 2ww3 h TRP 88 N 0.00 1.05 0.16 1.56 4.06 -1.95 -3.26 115.95 117.57 2ww3 h TRP 88 Ca -0.00 -0.49 -0.31 0.00 2.06 0.00 0.00 58.89 60.15 2ww3 h TRP 88 Cb 0.17 -0.15 0.01 0.00 -1.00 0.00 0.00 29.16 28.19 2ww3 h TRP 88 CO 0.00 1.32 -1.44 0.82 -3.56 0.00 0.00 178.44 175.59 2ww3 h ILE 89 N 0.49 1.29 -0.63 1.49 1.08 -1.87 -3.50 117.51 115.86 2ww3 h ILE 89 Ca -0.07 -2.84 0.00 0.00 -0.39 0.00 0.00 64.86 61.55 2ww3 h ILE 89 Cb 1.48 2.90 0.00 0.00 -3.07 0.00 0.00 36.82 38.13 2ww3 h ILE 89 CO 0.17 0.85 0.00 -3.20 -0.69 0.00 0.00 178.15 175.28 2ww3 n ASN 90 N -3.56 -1.90 -4.61 1.72 2.85 -0.20 -4.80 115.26 104.75 2ww3 n ASN 90 Ca -0.14 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.08 2ww3 n ASN 90 Cb 1.06 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.98 2ww3 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww3 s ASP 91 N -4.00 4.04 0.18 1.20 -1.08 -1.26 -4.44 116.67 111.31 2ww3 s ASP 91 Ca 0.00 -1.07 -0.21 0.00 -0.52 0.00 0.00 52.55 50.75 2ww3 s ASP 91 Cb 0.00 -0.47 0.05 0.00 -1.46 0.00 0.00 42.92 41.04 2ww3 s ASP 91 CO 0.00 -0.24 0.58 -0.72 0.52 0.00 0.00 175.17 175.31 2ww3 s TYR 92 N -2.55 -0.38 -1.15 -5.34 1.13 -1.26 -2.43 117.35 105.36 2ww3 s TYR 92 Ca 0.34 0.11 -0.02 0.00 -1.41 0.00 0.00 57.07 56.09 2ww3 s TYR 92 Cb 0.01 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.36 2ww3 s TYR 92 CO 0.19 -0.89 0.97 0.41 -2.51 0.00 0.00 175.55 173.71 2ww3 n GLY 93 N -0.36 -0.61 3.07 5.49 0.00 -1.23 -3.74 105.19 107.81 2ww3 n GLY 93 Ca -0.14 0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.05 2.13 0.18 1.61 -2.07 -1.26 -4.45 119.66 110.75 2ww3 s GLN 94 Ca 0.14 -0.55 -0.10 0.00 -1.82 0.00 0.00 55.36 53.03 2ww3 s GLN 94 Cb -0.02 -1.74 -0.00 0.00 -1.09 0.00 0.00 33.01 30.16 2ww3 s GLN 94 CO 0.73 0.03 0.33 -0.59 -1.32 0.00 0.00 175.29 174.47 2ww3 s PHE 95 N 0.71 0.34 0.15 9.60 -0.71 -1.20 -4.60 117.98 122.27 2ww3 s PHE 95 Ca -0.13 -0.70 0.03 0.00 -1.04 0.00 0.00 56.93 55.09 2ww3 s PHE 95 Cb -0.16 0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.62 2ww3 s PHE 95 CO 0.03 -0.77 -0.04 -1.54 -1.34 0.00 0.00 175.22 171.56 2ww3 s SER 96 N -2.96 1.39 0.00 1.98 1.04 -0.17 -1.22 113.70 113.76 2ww3 s SER 96 Ca 0.17 -1.10 0.03 0.00 0.48 0.00 0.00 55.95 55.54 2ww3 s SER 96 Cb 0.02 0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 2ww3 s SER 96 CO 0.01 -0.48 -0.10 -0.51 0.98 0.00 0.00 173.24 173.14 2ww3 s ILE 97 N -3.55 0.79 -0.13 -1.02 2.07 -0.15 -0.50 121.20 118.70 2ww3 s ILE 97 Ca 0.19 -0.54 -0.06 0.00 -1.41 0.00 0.00 60.65 58.84 2ww3 s ILE 97 Cb 0.05 -0.68 0.06 0.00 0.13 0.00 0.00 42.46 42.02 2ww3 s ILE 97 CO 0.01 0.14 0.29 -0.32 -1.91 0.00 0.00 174.94 173.15 2ww3 s MET 98 N -0.45 0.22 0.09 3.50 -2.45 0.89 -1.00 119.30 120.09 2ww3 s MET 98 Ca 0.02 0.69 -0.14 0.00 -1.25 0.00 0.00 55.69 55.01 2ww3 s MET 98 Cb -0.05 -0.04 -0.06 0.00 1.25 0.00 0.00 34.83 35.93 2ww3 s MET 98 CO -0.00 -0.21 0.49 -1.25 1.05 0.00 0.00 175.02 175.10 2ww3 s PRO 99 N 1.79 3.96 0.15 4.11 0.04 -1.26 0.12 135.00 143.92 2ww3 s PRO 99 Ca -0.05 0.46 -0.02 0.00 0.04 0.00 0.00 61.00 61.43 2ww3 s PRO 99 Cb -0.11 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2ww3 s PRO 99 CO -0.10 0.57 0.11 0.96 0.04 0.00 0.00 177.00 178.58 2ww3 s ILE 100 N -1.30 0.07 0.21 0.56 -4.36 0.32 -4.93 121.20 111.76 2ww3 s ILE 100 Ca 0.32 -1.87 0.02 0.00 -0.26 0.00 0.00 60.65 58.86 2ww3 s ILE 100 Cb -0.16 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.35 2ww3 s ILE 100 CO 0.18 -0.32 0.02 0.68 0.24 0.00 0.00 174.94 175.74 2ww3 s VAL 101 N -4.07 0.75 0.00 8.37 -7.23 -1.26 -1.26 120.40 115.70 2ww3 s VAL 101 Ca 0.27 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2ww3 s VAL 101 Cb 0.07 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.71 2ww3 s VAL 101 CO 0.04 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 2ww3 n GLY 102 N -0.34 0.98 3.89 2.32 0.00 -0.78 -4.93 105.19 106.34 2ww3 n GLY 102 Ca -0.05 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 3.49 -0.57 1.61 -1.52 -1.26 -4.82 119.66 116.58 2ww3 s GLN 103 Ca 0.00 -0.20 -0.27 0.00 -1.95 0.00 0.00 55.36 52.94 2ww3 s GLN 103 Cb 0.00 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 2ww3 s GLN 103 CO 0.00 0.69 1.59 -1.25 -0.25 0.00 0.00 175.29 176.07 2ww3 s PRO 104 N -1.67 3.06 -0.06 2.91 0.04 -1.26 -4.96 135.00 133.07 2ww3 s PRO 104 Ca 0.25 0.53 0.06 0.00 0.04 0.00 0.00 61.00 61.87 2ww3 s PRO 104 Cb -0.13 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.17 2ww3 s PRO 104 CO 0.15 -2.22 -0.23 0.14 0.04 0.00 0.00 177.00 174.87 2ww3 s VAL 105 N 7.14 2.23 -0.17 -0.36 -7.23 -1.26 -5.02 120.40 115.72 2ww3 s VAL 105 Ca 0.58 -1.01 0.12 0.00 -1.81 0.00 0.00 61.98 59.86 2ww3 s VAL 105 Cb -0.12 -1.82 -0.23 0.00 0.56 0.00 0.00 36.38 34.77 2ww3 s VAL 105 CO 0.23 0.57 0.17 0.33 -0.31 0.00 0.00 175.10 176.09 2ww3 n PHE 106 N 2.84 0.32 -1.62 2.82 7.35 -1.26 -4.66 117.46 123.25 2ww3 n PHE 106 Ca -0.17 0.10 -0.54 0.00 -0.76 0.00 0.00 57.45 56.08 2ww3 n PHE 106 Cb 0.52 -1.05 -0.06 0.00 0.35 0.00 0.00 39.48 39.23 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 -2.97 1.84 0.13 -2.13 -0.08 -1.26 -4.79 116.55 107.29 2ww3 n ASP 107 Ca -0.32 1.11 0.11 0.00 -1.51 0.00 0.00 54.79 54.18 2ww3 n ASP 107 Cb 1.09 -1.18 0.51 0.00 2.34 0.00 0.00 41.12 43.88 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 3.29 0.15 -0.01 -0.67 0.28 -1.26 -1.37 120.64 121.06 2ww3 n GLU 108 Ca 0.21 0.52 -0.19 0.00 -0.16 0.00 0.00 57.16 57.54 2ww3 n GLU 108 Cb 0.17 -1.88 -0.14 0.00 1.43 0.00 0.00 31.44 31.02 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 -2.19 0.73 0.06 3.44 1.02 -1.26 -4.12 120.64 118.32 2ww3 n GLU 109 Ca 0.00 0.26 -0.06 0.00 -0.02 0.00 0.00 57.16 57.35 2ww3 n GLU 109 Cb 0.13 -1.71 0.12 0.00 -0.02 0.00 0.00 31.44 29.96 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 0.06 0.34 -0.00 3.49 6.56 -1.60 -3.02 116.57 122.40 2ww3 h LYS 110 Ca -0.41 -0.21 0.00 0.00 -1.06 0.00 0.00 60.65 58.97 2ww3 h LYS 110 Cb 2.03 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.71 2ww3 h LYS 110 CO 0.08 0.79 -0.25 2.89 -2.06 0.00 0.00 179.45 180.90 2ww3 n ARG 111 N -3.94 0.33 -1.48 3.15 1.85 -0.47 -4.95 116.66 111.16 2ww3 n ARG 111 Ca -0.02 -0.14 -0.33 0.00 -1.00 0.00 0.00 57.85 56.35 2ww3 n ARG 111 Cb 0.58 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.57 2ww3 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ww3 s ALA 112 N -2.77 2.24 -0.00 2.89 0.00 -1.14 -4.93 121.76 118.04 2ww3 s ALA 112 Ca 0.19 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2ww3 s ALA 112 Cb 0.19 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2ww3 s ALA 112 CO 0.57 -1.67 -0.01 0.45 0.00 0.00 0.00 175.76 175.11 2ww3 s SER 113 N -2.59 0.07 0.86 0.00 0.15 -0.48 -4.95 113.70 106.76 2ww3 s SER 113 Ca 0.68 -0.01 -0.13 0.00 0.70 0.00 0.00 55.95 57.19 2ww3 s SER 113 Cb -0.22 -0.01 0.06 0.00 -1.71 0.00 0.00 66.02 64.14 2ww3 s SER 113 CO 0.47 0.00 0.86 0.79 1.20 0.00 0.00 173.24 176.56 2ww3 n TRP 114 N 3.08 0.10 -3.82 3.44 7.02 -1.26 -1.12 117.44 124.89 2ww3 n TRP 114 Ca -0.12 0.35 -0.08 0.00 -1.02 0.00 0.00 57.50 56.63 2ww3 n TRP 114 Cb 0.60 -1.97 -0.02 0.00 -2.42 0.00 0.00 31.31 27.50 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 -2.27 -0.19 0.04 -5.99 -0.71 -0.84 -2.06 117.98 105.97 2ww3 s PHE 115 Ca 0.66 -0.23 0.03 0.00 -1.04 0.00 0.00 56.93 56.35 2ww3 s PHE 115 Cb -0.27 0.65 -0.02 0.00 -1.21 0.00 0.00 43.02 42.17 2ww3 s PHE 115 CO 0.58 -1.17 -0.09 0.00 -1.34 0.00 0.00 175.22 173.20 2ww3 s ALA 116 N -3.91 0.72 0.64 1.99 0.00 -1.26 -4.81 121.76 115.13 2ww3 s ALA 116 Ca 0.11 -0.77 0.36 0.00 0.00 0.00 0.00 51.96 51.65 2ww3 s ALA 116 Cb -0.05 -0.01 2.00 0.00 0.00 0.00 0.00 23.12 25.07 2ww3 s ALA 116 CO 0.05 0.04 2.19 0.45 0.00 0.00 0.00 175.76 178.49 2ww3 h HIS 117 N 4.60 0.00 -0.00 0.00 3.86 -1.95 0.47 115.15 122.13 2ww3 h HIS 117 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2ww3 h HIS 117 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2ww3 h HIS 117 CO 0.62 0.00 -0.07 1.63 0.86 0.00 0.00 177.93 180.97 2ww3 n LYS 118 N -3.27 0.40 -0.68 2.45 5.02 -1.26 -2.14 118.16 118.68 2ww3 n LYS 118 Ca -0.02 -0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.28 2ww3 n LYS 118 Cb 0.21 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.34 3.52 3.09 0.72 0.00 0.17 -5.01 105.19 109.02 2ww3 n GLY 119 Ca 0.12 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.81 0.68 -0.12 1.61 2.12 -0.91 -1.65 118.70 117.63 2ww3 s GLU 120 Ca 0.49 -0.70 -0.03 0.00 0.36 0.00 0.00 54.97 55.09 2ww3 s GLU 120 Cb 0.38 -0.60 0.05 0.00 0.26 0.00 0.00 34.13 34.22 2ww3 s GLU 120 CO 0.12 0.14 0.05 0.08 -0.54 0.00 0.00 175.26 175.11 2ww3 s VAL 121 N -1.00 0.14 -0.16 3.70 1.01 0.18 -4.95 120.40 119.33 2ww3 s VAL 121 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2ww3 s VAL 121 Cb -0.08 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 2ww3 s VAL 121 CO 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 175.10 174.94 2ww3 s ALA 122 N 2.05 2.58 0.19 5.51 0.00 -1.26 -0.73 121.76 130.09 2ww3 s ALA 122 Ca 0.03 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2ww3 s ALA 122 Cb -0.14 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 2ww3 s ALA 122 CO -0.07 -0.05 -0.00 0.95 0.00 0.00 0.00 175.76 176.59 2ww3 s THR 123 N 0.85 0.81 0.52 0.00 -4.23 0.09 -4.52 115.64 109.16 2ww3 s THR 123 Ca -0.04 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.67 2ww3 s THR 123 Cb -0.15 -2.19 0.34 0.00 1.34 0.00 0.00 72.50 71.84 2ww3 s THR 123 CO -0.00 -0.43 2.07 -0.65 -0.54 0.00 0.00 174.62 175.07 2ww3 h PRO 124 N 2.62 0.01 -0.01 3.99 0.11 -1.87 -3.04 132.00 133.81 2ww3 h PRO 124 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2ww3 h PRO 124 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ww3 h PRO 124 CO 0.63 0.01 -0.08 2.48 -0.21 0.00 0.00 178.00 180.83 2ww3 n TYR 125 N -4.46 0.00 -3.64 0.65 4.11 -1.26 -1.42 117.16 111.15 2ww3 n TYR 125 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.86 2ww3 n TYR 125 Cb 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.63 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 -1.21 -0.92 -0.03 -3.48 5.04 -1.15 -4.26 117.35 111.34 2ww3 s TYR 126 Ca 0.13 1.93 0.03 0.00 -2.44 0.00 0.00 57.07 56.72 2ww3 s TYR 126 Cb 0.10 0.51 0.00 0.00 0.35 0.00 0.00 41.96 42.93 2ww3 s TYR 126 CO 0.20 -0.45 -0.09 -0.47 -1.34 0.00 0.00 175.55 173.40 2ww3 s TYR 127 N 1.26 0.99 -0.00 4.97 5.04 -0.77 -0.73 117.35 128.11 2ww3 s TYR 127 Ca -0.07 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 2ww3 s TYR 127 Cb -0.05 -0.71 -0.01 0.00 0.35 0.00 0.00 41.96 41.55 2ww3 s TYR 127 CO -0.14 -0.10 -0.07 0.21 -1.34 0.00 0.00 175.55 174.10 2ww3 s LYS 128 N 0.19 0.56 -0.06 4.97 2.20 0.09 -1.60 119.74 126.08 2ww3 s LYS 128 Ca -0.03 -0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 55.19 2ww3 s LYS 128 Cb -0.09 -0.53 0.02 0.00 -1.51 0.00 0.00 37.83 35.73 2ww3 s LYS 128 CO 0.01 0.14 0.23 0.54 -0.36 0.00 0.00 175.35 175.91 2ww3 s VAL 129 N -0.28 0.02 -0.29 4.02 0.11 -0.49 -0.65 120.40 122.86 2ww3 s VAL 129 Ca 0.02 -0.20 -0.19 0.00 -2.93 0.00 0.00 61.98 58.68 2ww3 s VAL 129 Cb -0.03 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 2ww3 s VAL 129 CO -0.00 -0.11 0.57 -0.47 -3.33 0.00 0.00 175.10 171.75 2ww3 s TYR 130 N -0.37 3.23 -0.63 1.54 5.04 -0.66 -0.97 117.35 124.54 2ww3 s TYR 130 Ca -0.05 0.56 -0.21 0.00 -2.44 0.00 0.00 57.07 54.93 2ww3 s TYR 130 Cb -0.03 -2.86 0.08 0.00 0.35 0.00 0.00 41.96 39.50 2ww3 s TYR 130 CO 0.01 -0.40 0.86 -0.51 -1.34 0.00 0.00 175.55 174.18 2ww3 s LEU 131 N 2.45 4.78 0.40 6.97 1.43 0.10 -4.61 118.68 130.20 2ww3 s LEU 131 Ca 0.23 -1.16 0.09 0.00 -1.03 0.00 0.00 54.13 52.26 2ww3 s LEU 131 Cb -0.15 -2.37 0.84 0.00 0.03 0.00 0.00 46.19 44.53 2ww3 s LEU 131 CO 0.11 -1.31 1.97 0.00 0.23 0.00 0.00 176.35 177.34 2ww3 h ALA 132 N 9.42 1.59 0.00 4.21 0.00 -1.69 -2.09 119.26 130.70 2ww3 h ALA 132 Ca -0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ww3 h ALA 132 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ww3 h ALA 132 CO 1.15 0.30 -0.16 0.39 0.00 0.00 0.00 179.25 180.94 2ww3 n GLU 133 N -4.34 0.06 0.00 0.00 1.02 -1.26 -3.61 120.64 112.50 2ww3 n GLU 133 Ca -0.00 0.04 0.03 0.00 -0.02 0.00 0.00 57.16 57.21 2ww3 n GLU 133 Cb 0.21 -1.56 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 2ww3 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ww3 n HIS 134 N -1.65 0.00 -4.09 -0.32 8.25 -0.99 -4.94 115.22 111.49 2ww3 n HIS 134 Ca 0.06 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.20 2ww3 n HIS 134 Cb 0.36 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.13 -2.62 -4.23 0.41 2.03 -0.82 -4.64 116.55 106.56 2ww3 n ASP 135 Ca 0.03 -0.97 -0.31 0.00 0.52 0.00 0.00 54.79 54.06 2ww3 n ASP 135 Cb 0.14 -3.04 -0.17 0.00 -0.72 0.00 0.00 41.12 37.34 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 -3.50 1.93 -0.14 5.18 1.01 -1.02 -3.61 121.20 121.05 2ww3 s ILE 136 Ca 0.50 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 2ww3 s ILE 136 Cb -0.27 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 2ww3 s ILE 136 CO 0.90 0.54 0.38 -0.69 0.00 0.00 0.00 174.94 176.06 2ww3 s VAL 137 N 0.05 5.25 -0.10 2.92 1.01 -0.91 0.03 120.40 128.65 2ww3 s VAL 137 Ca -0.09 0.73 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2ww3 s VAL 137 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2ww3 s VAL 137 CO 0.05 0.36 -0.12 -0.89 0.00 0.00 0.00 175.10 174.50 2ww3 s THR 138 N 0.56 3.23 0.06 3.92 2.01 -0.14 -1.19 115.64 124.08 2ww3 s THR 138 Ca 0.21 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.64 2ww3 s THR 138 Cb -0.14 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 2ww3 s THR 138 CO 0.07 0.55 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.78 2ww3 s GLU 139 N -0.15 1.00 -0.11 4.92 2.02 -0.22 -1.39 118.70 124.77 2ww3 s GLU 139 Ca -0.00 -0.90 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 2ww3 s GLU 139 Cb -0.13 -1.07 0.03 0.00 0.10 0.00 0.00 34.13 33.06 2ww3 s GLU 139 CO 0.03 0.26 0.33 0.00 0.02 0.00 0.00 175.26 175.90 2ww3 s MET 140 N -1.41 0.45 -0.13 1.61 0.23 -0.63 -0.67 119.30 118.74 2ww3 s MET 140 Ca 0.02 0.35 -0.04 0.00 -1.03 0.00 0.00 55.69 54.99 2ww3 s MET 140 Cb -0.09 0.21 0.06 0.00 -1.53 0.00 0.00 34.83 33.48 2ww3 s MET 140 CO 0.02 -0.07 0.11 0.95 -2.03 0.00 0.00 175.02 174.00 2ww3 s THR 141 N -0.10 -0.15 0.35 3.16 -4.23 -0.52 -1.86 115.64 112.29 2ww3 s THR 141 Ca -0.03 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 2ww3 s THR 141 Cb -0.03 -0.45 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 2ww3 s THR 141 CO 0.01 -0.11 0.53 -2.16 -0.54 0.00 0.00 174.62 172.35 2ww3 s PRO 142 N 2.19 3.35 0.00 3.99 0.04 -1.26 -1.21 135.00 142.10 2ww3 s PRO 142 Ca 0.04 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.55 2ww3 s PRO 142 Cb -0.15 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2ww3 s PRO 142 CO -0.08 0.11 0.00 0.25 0.04 0.00 0.00 177.00 177.32 2ww3 n THR 143 N -1.76 0.00 -0.02 1.26 -2.24 0.47 -4.65 114.28 107.33 2ww3 n THR 143 Ca -0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 2ww3 n THR 143 Cb 0.57 -0.55 0.27 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.58 0.00 -0.78 5.08 -1.93 -3.37 114.58 114.15 2ww3 h GLU 144 Ca 0.00 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2ww3 h GLU 144 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2ww3 h GLU 144 CO 0.00 0.60 0.00 0.54 -1.00 0.00 0.00 179.01 179.15 2ww3 n ARG 145 N -4.27 1.59 -4.47 2.33 1.74 -1.26 -1.11 116.66 111.22 2ww3 n ARG 145 Ca 0.02 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.81 2ww3 n ARG 145 Cb 0.25 -0.15 -0.07 0.00 -1.02 0.00 0.00 32.46 31.48 2ww3 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ww3 n ALA 146 N -0.23 0.48 -3.55 7.54 0.00 -1.26 -3.31 120.51 120.19 2ww3 n ALA 146 Ca 0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 53.44 51.17 2ww3 n ALA 146 Cb 0.01 1.27 -0.06 0.00 0.00 0.00 0.00 19.45 20.67 2ww3 n ALA 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ww3 s VAL 147 N -2.89 0.00 -0.16 0.00 0.11 0.14 -0.40 120.40 117.20 2ww3 s VAL 147 Ca 0.09 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.10 2ww3 s VAL 147 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2ww3 s VAL 147 CO 0.07 0.00 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.60 2ww3 s LEU 148 N -0.91 3.37 -0.08 2.54 2.96 -0.35 -1.10 118.68 125.12 2ww3 s LEU 148 Ca -0.08 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2ww3 s LEU 148 Cb -0.01 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2ww3 s LEU 148 CO 0.07 0.16 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.80 2ww3 s PHE 149 N 0.40 2.83 -0.14 5.38 0.40 0.53 -1.43 117.98 125.95 2ww3 s PHE 149 Ca -0.02 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2ww3 s PHE 149 Cb -0.14 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.69 2ww3 s PHE 149 CO 0.02 0.15 -0.15 0.50 0.70 0.00 0.00 175.22 176.44 2ww3 s ARG 150 N -0.49 2.36 -0.19 0.44 3.52 0.15 -0.17 118.95 124.56 2ww3 s ARG 150 Ca 0.07 -0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 55.04 2ww3 s ARG 150 Cb -0.12 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.18 2ww3 s ARG 150 CO 0.02 -0.16 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.24 2ww3 s PHE 151 N 1.26 2.96 -0.46 5.12 0.40 0.26 -1.06 117.98 126.47 2ww3 s PHE 151 Ca 0.00 -0.69 -0.16 0.00 -0.60 0.00 0.00 56.93 55.47 2ww3 s PHE 151 Cb -0.14 -2.04 0.05 0.00 0.51 0.00 0.00 43.02 41.40 2ww3 s PHE 151 CO -0.07 -0.36 0.43 0.99 0.70 0.00 0.00 175.22 176.91 2ww3 s THR 152 N 1.06 5.14 0.33 0.64 2.01 -0.33 -0.88 115.64 123.60 2ww3 s THR 152 Ca 0.01 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2ww3 s THR 152 Cb -0.15 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2ww3 s THR 152 CO 0.00 -0.55 0.58 -0.36 -0.69 0.00 0.00 174.62 173.60 2ww3 s PHE 153 N 1.93 3.49 0.79 4.92 0.08 0.27 -2.15 117.98 127.32 2ww3 s PHE 153 Ca 0.08 0.57 -0.10 0.00 0.12 0.00 0.00 56.93 57.61 2ww3 s PHE 153 Cb -0.21 -2.06 0.11 0.00 -0.57 0.00 0.00 43.02 40.28 2ww3 s PHE 153 CO 0.09 0.11 1.13 -1.25 -0.10 0.00 0.00 175.22 175.20 2ww3 s PRO 154 N -3.92 1.71 0.13 0.24 0.04 -1.24 -0.87 135.00 131.09 2ww3 s PRO 154 Ca 0.43 -0.30 -0.32 0.00 0.04 0.00 0.00 61.00 60.86 2ww3 s PRO 154 Cb -0.10 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 2ww3 s PRO 154 CO 0.33 -1.63 1.81 -1.91 0.04 0.00 0.00 177.00 175.64 2ww3 n GLU 155 N -3.21 2.74 -3.64 4.56 2.13 -1.25 -4.34 120.64 117.62 2ww3 n GLU 155 Ca 0.10 0.99 -0.05 0.00 0.66 0.00 0.00 57.16 58.87 2ww3 n GLU 155 Cb 0.60 -2.88 -0.07 0.00 0.27 0.00 0.00 31.44 29.37 2ww3 n GLU 155 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2ww3 s ASN 156 N 2.47 -0.35 0.39 4.31 3.84 -0.27 -4.87 114.94 120.45 2ww3 s ASN 156 Ca 0.81 0.62 0.21 0.00 0.21 0.00 0.00 52.86 54.72 2ww3 s ASN 156 Cb -0.50 0.86 0.44 0.00 -0.55 0.00 0.00 41.25 41.50 2ww3 s ASN 156 CO 0.37 -0.10 1.62 0.44 -2.79 0.00 0.00 177.10 176.64 2ww3 h ASP 157 N 4.72 0.00 -2.88 -4.21 5.19 -1.88 0.17 116.42 117.53 2ww3 h ASP 157 Ca -0.28 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.52 2ww3 h ASP 157 Cb 1.18 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.28 2ww3 h ASP 157 CO 0.16 0.23 -0.64 1.41 -3.12 0.00 0.00 179.24 177.28 2ww3 n HIS 158 N -3.21 2.59 -4.29 4.55 8.25 -1.26 -3.99 115.22 117.87 2ww3 n HIS 158 Ca 0.02 -4.14 -0.35 0.00 -0.26 0.00 0.00 57.72 53.00 2ww3 n HIS 158 Cb 0.57 -0.48 -0.10 0.00 1.12 0.00 0.00 29.99 31.10 2ww3 n HIS 158 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2ww3 s SER 159 N -1.32 5.26 0.09 0.41 0.01 -0.76 -1.86 113.70 115.54 2ww3 s SER 159 Ca 0.28 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.64 2ww3 s SER 159 Cb -0.01 -1.67 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 2ww3 s SER 159 CO -0.16 0.29 -0.08 -0.31 0.41 0.00 0.00 173.24 173.39 2ww3 s TYR 160 N -0.35 0.91 -0.16 2.43 1.51 -0.39 -1.04 117.35 120.27 2ww3 s TYR 160 Ca 0.07 -0.80 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 2ww3 s TYR 160 Cb -0.12 -0.52 0.02 0.00 -0.11 0.00 0.00 41.96 41.23 2ww3 s TYR 160 CO 0.02 -0.10 -0.19 0.08 -1.11 0.00 0.00 175.55 174.26 2ww3 s VAL 161 N -3.09 1.90 -0.09 0.71 1.01 0.13 -0.52 120.40 120.44 2ww3 s VAL 161 Ca 0.08 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2ww3 s VAL 161 Cb 0.02 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 2ww3 s VAL 161 CO -0.03 0.52 0.47 -0.69 0.00 0.00 0.00 175.10 175.37 2ww3 s VAL 162 N 1.21 5.15 -0.11 2.92 1.01 0.33 -2.27 120.40 128.64 2ww3 s VAL 162 Ca 0.01 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.95 2ww3 s VAL 162 Cb -0.14 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2ww3 s VAL 162 CO -0.09 0.37 -0.14 -0.69 0.00 0.00 0.00 175.10 174.55 2ww3 s VAL 163 N 0.31 3.01 -0.15 2.92 1.01 0.99 -0.08 120.40 128.41 2ww3 s VAL 163 Ca 0.26 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.54 2ww3 s VAL 163 Cb -0.15 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2ww3 s VAL 163 CO 0.11 0.54 -0.10 -0.62 0.00 0.00 0.00 175.10 175.03 2ww3 s ASP 164 N 0.07 2.62 0.00 3.32 -1.08 0.34 -1.01 116.67 120.92 2ww3 s ASP 164 Ca -0.06 -0.50 0.25 0.00 -0.52 0.00 0.00 52.55 51.72 2ww3 s ASP 164 Cb -0.15 -1.02 0.64 0.00 -1.46 0.00 0.00 42.92 40.94 2ww3 s ASP 164 CO 0.04 -0.11 1.51 0.00 0.52 0.00 0.00 175.17 177.13 2ww3 n ALA 165 N 4.84 2.51 -1.11 3.66 0.00 -0.75 -1.00 120.51 128.66 2ww3 n ALA 165 Ca -0.14 -0.62 0.15 0.00 0.00 0.00 0.00 53.44 52.83 2ww3 n ALA 165 Cb 0.49 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 0.75 -2.85 -2.68 0.00 3.01 -1.26 -4.54 117.46 109.89 2ww3 n PHE 166 Ca 0.17 1.46 0.00 0.00 1.01 0.00 0.00 57.45 60.09 2ww3 n PHE 166 Cb 0.46 -2.59 0.00 0.00 -0.01 0.00 0.00 39.48 37.34 2ww3 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww3 n ASP 167 N -3.73 0.00 -0.42 4.37 5.75 -1.26 -3.91 116.55 117.35 2ww3 n ASP 167 Ca -0.01 -0.72 -0.05 0.00 -0.01 0.00 0.00 54.79 53.99 2ww3 n ASP 167 Cb 0.51 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.72 -0.36 0.00 0.11 4.76 -0.79 -3.63 118.16 117.53 2ww3 n LYS 168 Ca 0.00 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 2ww3 n LYS 168 Cb 0.00 -4.30 0.00 0.00 -1.84 0.00 0.00 35.03 28.89 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 -2.08 0.19 1.99 0.72 0.00 0.31 -4.69 105.19 101.63 2ww3 n GLY 169 Ca -0.05 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 2ww3 n GLY 169 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww3 n SER 170 N 0.00 -0.11 -3.67 1.61 3.41 0.13 -3.73 113.62 111.27 2ww3 n SER 170 Ca 0.00 -2.34 -0.14 0.00 -0.26 0.00 0.00 58.87 56.12 2ww3 n SER 170 Cb 0.00 0.94 -0.08 0.00 -0.26 0.00 0.00 64.21 64.81 2ww3 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2ww3 s TYR 171 N -2.76 -0.49 -0.14 7.33 5.04 -0.75 -2.52 117.35 123.06 2ww3 s TYR 171 Ca 0.22 1.03 -0.20 0.00 -2.44 0.00 0.00 57.07 55.67 2ww3 s TYR 171 Cb 0.01 0.22 0.05 0.00 0.35 0.00 0.00 41.96 42.59 2ww3 s TYR 171 CO 0.16 -0.39 0.52 -1.50 -1.34 0.00 0.00 175.55 173.00 2ww3 s ILE 172 N -0.51 0.01 -0.06 3.14 2.07 -0.92 -1.60 121.20 123.33 2ww3 s ILE 172 Ca -0.06 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.07 2ww3 s ILE 172 Cb -0.03 -0.77 0.03 0.00 0.13 0.00 0.00 42.46 41.82 2ww3 s ILE 172 CO 0.04 -0.04 0.05 -0.75 -1.91 0.00 0.00 174.94 172.33 2ww3 s LYS 173 N -0.26 0.06 0.12 3.50 2.20 0.17 -1.95 119.74 123.58 2ww3 s LYS 173 Ca -0.04 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.54 2ww3 s LYS 173 Cb -0.03 -0.75 -0.06 0.00 -1.51 0.00 0.00 37.83 35.47 2ww3 s LYS 173 CO 0.03 -0.37 1.04 0.42 -0.36 0.00 0.00 175.35 176.11 2ww3 s ILE 174 N 2.13 4.24 -0.57 5.43 1.01 0.37 -1.18 121.20 132.63 2ww3 s ILE 174 Ca 0.05 1.83 0.06 0.00 0.00 0.00 0.00 60.65 62.59 2ww3 s ILE 174 Cb -0.13 -4.17 0.24 0.00 0.01 0.00 0.00 42.46 38.41 2ww3 s ILE 174 CO -0.04 0.27 0.64 -0.38 0.00 0.00 0.00 174.94 175.43 2ww3 n ILE 175 N 2.83 1.30 -0.29 2.92 5.41 0.88 -4.87 119.36 127.53 2ww3 n ILE 175 Ca 0.03 -4.77 0.11 0.00 1.00 0.00 0.00 62.75 59.12 2ww3 n ILE 175 Cb 0.48 -2.05 0.27 0.00 -0.71 0.00 0.00 39.64 37.63 2ww3 n ILE 175 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2ww3 h PRO 176 N 4.36 0.33 -0.33 0.38 0.11 -1.95 0.12 132.00 135.01 2ww3 h PRO 176 Ca 0.16 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.31 2ww3 h PRO 176 Cb 0.74 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 2ww3 h PRO 176 CO 0.70 0.22 0.23 1.05 -0.21 0.00 0.00 178.00 179.98 2ww3 h GLU 177 N 0.34 0.19 -0.69 1.05 9.09 -1.94 0.12 114.58 122.73 2ww3 h GLU 177 Ca 0.52 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.91 2ww3 h GLU 177 Cb 0.96 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 2ww3 h GLU 177 CO -0.54 0.12 0.00 0.39 0.05 0.00 0.00 179.01 179.03 2ww3 n GLU 178 N -4.48 3.16 -3.57 1.06 1.02 0.38 -4.93 120.64 113.29 2ww3 n GLU 178 Ca 0.04 -2.75 -0.26 0.00 -0.02 0.00 0.00 57.16 54.17 2ww3 n GLU 178 Cb 0.26 -1.70 0.02 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.39 -4.69 -4.12 1.62 3.02 0.40 -4.72 115.26 108.17 2ww3 n ASN 179 Ca 0.25 -0.56 -0.17 0.00 -0.03 0.00 0.00 54.58 54.08 2ww3 n ASN 179 Cb 0.73 -3.79 -0.12 0.00 -0.61 0.00 0.00 39.78 35.99 2ww3 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ww3 s LYS 180 N -6.25 0.71 0.01 3.52 2.20 -1.16 -1.51 119.74 117.26 2ww3 s LYS 180 Ca 0.51 -0.81 0.06 0.00 -0.36 0.00 0.00 55.97 55.37 2ww3 s LYS 180 Cb -0.26 -0.63 -0.02 0.00 -1.51 0.00 0.00 37.83 35.41 2ww3 s LYS 180 CO 0.63 0.14 -0.18 0.42 -0.36 0.00 0.00 175.35 176.00 2ww3 s ILE 181 N -1.18 1.41 0.27 5.43 1.01 -0.44 -0.09 121.20 127.62 2ww3 s ILE 181 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2ww3 s ILE 181 Cb -0.09 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 2ww3 s ILE 181 CO 0.01 0.28 0.12 0.27 0.00 0.00 0.00 174.94 175.63 2ww3 s ILE 182 N -0.58 0.45 0.00 2.92 -4.36 -0.32 -0.46 121.20 118.86 2ww3 s ILE 182 Ca 0.06 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 2ww3 s ILE 182 Cb -0.07 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.05 2ww3 s ILE 182 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2ww3 n GLY 183 N -0.51 -0.03 3.17 6.27 0.00 -1.00 0.42 105.19 113.51 2ww3 n GLY 183 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.00 1.03 0.13 1.61 -0.85 -0.63 -1.05 117.35 115.59 2ww3 s TYR 184 Ca 0.00 -0.68 0.09 0.00 -0.52 0.00 0.00 57.07 55.96 2ww3 s TYR 184 Cb 0.00 -0.57 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 2ww3 s TYR 184 CO 0.00 -0.02 -0.21 -0.08 -1.52 0.00 0.00 175.55 173.72 2ww3 s THR 185 N -2.53 1.82 0.00 -3.49 -1.32 -0.11 -1.81 115.64 108.20 2ww3 s THR 185 Ca 0.06 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 2ww3 s THR 185 Cb -0.02 -1.70 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 2ww3 s THR 185 CO -0.00 -0.12 0.00 0.35 -2.21 0.00 0.00 174.62 172.64 2ww3 n THR 186 N 0.81 0.00 -1.68 5.08 -2.24 -1.24 -1.22 114.28 113.79 2ww3 n THR 186 Ca -0.17 -0.08 -0.50 0.00 -2.27 0.00 0.00 64.05 61.03 2ww3 n THR 186 Cb 0.55 0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 2ww3 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ww3 n ARG 187 N -0.42 1.90 -4.29 -0.78 0.63 -1.24 -4.80 116.66 107.66 2ww3 n ARG 187 Ca 0.00 0.70 -0.20 0.00 -0.92 0.00 0.00 57.85 57.43 2ww3 n ARG 187 Cb 0.00 -2.49 -0.08 0.00 0.45 0.00 0.00 32.46 30.34 2ww3 n ARG 187 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ww3 s ASN 188 N 3.37 1.73 -0.21 6.15 4.22 -1.26 -3.50 114.94 125.43 2ww3 s ASN 188 Ca 0.92 -1.76 0.11 0.00 -2.14 0.00 0.00 52.86 49.99 2ww3 s ASN 188 Cb -0.79 0.56 0.42 0.00 1.28 0.00 0.00 41.25 42.72 2ww3 s ASN 188 CO 0.53 -1.06 1.25 -1.20 -2.04 0.00 0.00 177.10 174.58 2ww3 n SER 189 N -1.54 1.89 0.00 3.54 7.64 -1.02 -4.93 113.62 119.19 2ww3 n SER 189 Ca 0.07 -3.82 0.00 0.00 1.01 0.00 0.00 58.87 56.13 2ww3 n SER 189 Cb 0.62 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.14 0.42 2.69 0.23 0.00 -1.26 -5.01 105.19 101.12 2ww3 n GLY 190 Ca 0.21 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.92 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 0.04 -0.39 3.10 -0.02 0.00 -1.26 -4.42 105.19 102.24 2ww3 n GLY 191 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.05 1.01 0.97 1.61 -7.23 -1.26 -0.47 120.40 111.98 2ww3 s VAL 192 Ca 0.18 -0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 59.48 2ww3 s VAL 192 Cb -0.08 -0.88 0.13 0.00 0.56 0.00 0.00 36.38 36.11 2ww3 s VAL 192 CO 0.22 0.12 0.88 -2.65 -0.31 0.00 0.00 175.10 173.36 2ww3 n PRO 193 N 2.33 -0.71 0.28 4.82 -0.02 -1.26 -4.88 135.00 135.57 2ww3 n PRO 193 Ca -0.16 -0.15 0.16 0.00 -2.02 0.00 0.00 63.50 61.33 2ww3 n PRO 193 Cb 0.55 -2.18 0.81 0.00 -0.02 0.00 0.00 33.50 32.65 2ww3 n PRO 193 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2ww3 h GLU 194 N -1.92 0.00 -0.62 -0.52 9.09 -1.98 -2.31 114.58 116.33 2ww3 h GLU 194 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 2ww3 h GLU 194 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2ww3 h GLU 194 CO 0.40 0.07 0.00 0.27 0.05 0.00 0.00 179.01 179.80 2ww3 n ASN 195 N -3.33 3.56 -4.65 3.06 6.94 -1.26 -5.00 115.26 114.57 2ww3 n ASN 195 Ca -0.01 -2.16 -0.47 0.00 -0.02 0.00 0.00 54.58 51.91 2ww3 n ASN 195 Cb 0.24 -0.45 -0.05 0.00 -2.36 0.00 0.00 39.78 37.16 2ww3 n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ww3 n PHE 196 N 1.10 2.11 -3.71 -2.53 7.35 -0.87 -5.00 117.46 115.91 2ww3 n PHE 196 Ca 0.21 0.35 -0.14 0.00 -0.76 0.00 0.00 57.45 57.10 2ww3 n PHE 196 Cb 0.62 -2.50 -0.09 0.00 0.35 0.00 0.00 39.48 37.86 2ww3 n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2ww3 s LYS 197 N 0.86 0.61 -0.20 -4.13 1.02 -1.26 -4.76 119.74 111.87 2ww3 s LYS 197 Ca 0.80 0.40 -0.02 0.00 0.02 0.00 0.00 55.97 57.17 2ww3 s LYS 197 Cb -0.74 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 36.86 2ww3 s LYS 197 CO 0.40 -0.12 -0.10 1.21 -0.92 0.00 0.00 175.35 175.82 2ww3 s ASN 198 N -0.26 3.89 -0.17 2.83 3.84 -0.35 -4.42 114.94 120.29 2ww3 s ASN 198 Ca -0.04 -0.47 -0.11 0.00 0.21 0.00 0.00 52.86 52.45 2ww3 s ASN 198 Cb -0.03 -1.65 -0.05 0.00 -0.55 0.00 0.00 41.25 38.97 2ww3 s ASN 198 CO 0.02 -0.00 0.18 -0.31 -2.79 0.00 0.00 177.10 174.20 2ww3 s TYR 199 N 1.35 3.46 0.16 0.43 1.51 0.14 -0.93 117.35 123.48 2ww3 s TYR 199 Ca 0.04 0.45 0.06 0.00 -1.01 0.00 0.00 57.07 56.61 2ww3 s TYR 199 Cb -0.14 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 2ww3 s TYR 199 CO -0.06 0.36 -0.12 -0.59 -1.11 0.00 0.00 175.55 174.03 2ww3 s PHE 200 N 0.12 1.44 -0.01 2.71 -0.12 -0.21 0.07 117.98 121.98 2ww3 s PHE 200 Ca 0.12 -0.66 0.01 0.00 -0.05 0.00 0.00 56.93 56.34 2ww3 s PHE 200 Cb -0.12 -0.71 0.01 0.00 -0.63 0.00 0.00 43.02 41.57 2ww3 s PHE 200 CO 0.01 0.19 -0.01 0.42 -0.05 0.00 0.00 175.22 175.77 2ww3 s ILE 201 N -3.01 0.16 -0.21 -4.49 1.01 -0.42 -2.38 121.20 111.86 2ww3 s ILE 201 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 2ww3 s ILE 201 Cb 0.00 -0.19 0.06 0.00 0.01 0.00 0.00 42.46 42.34 2ww3 s ILE 201 CO 0.03 0.08 -0.02 -0.63 0.00 0.00 0.00 174.94 174.41 2ww3 s ILE 202 N 0.32 1.06 -0.27 2.92 1.01 0.40 -2.28 121.20 124.36 2ww3 s ILE 202 Ca -0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 2ww3 s ILE 202 Cb -0.05 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2ww3 s ILE 202 CO -0.01 -0.12 0.13 -1.61 0.00 0.00 0.00 174.94 173.33 2ww3 s GLU 203 N 1.61 3.68 0.03 2.79 2.02 -0.18 -1.32 118.70 127.32 2ww3 s GLU 203 Ca -0.03 -0.48 -0.09 0.00 0.02 0.00 0.00 54.97 54.39 2ww3 s GLU 203 Cb -0.18 -3.49 -0.05 0.00 0.10 0.00 0.00 34.13 30.51 2ww3 s GLU 203 CO -0.07 -0.24 0.33 -0.06 0.02 0.00 0.00 175.26 175.24 2ww3 s PHE 204 N 1.66 3.60 -0.38 1.61 0.40 -0.57 -1.14 117.98 123.17 2ww3 s PHE 204 Ca 0.06 0.70 0.07 0.00 -0.60 0.00 0.00 56.93 57.16 2ww3 s PHE 204 Cb -0.16 -2.09 0.58 0.00 0.51 0.00 0.00 43.02 41.86 2ww3 s PHE 204 CO 0.07 0.59 1.60 -0.40 0.70 0.00 0.00 175.22 177.78 2ww3 n ASP 205 N 1.17 4.11 -3.75 1.36 5.75 -0.90 -4.78 116.55 119.52 2ww3 n ASP 205 Ca -0.11 -3.01 -0.13 0.00 -0.01 0.00 0.00 54.79 51.53 2ww3 n ASP 205 Cb 0.53 -0.71 -0.14 0.00 -1.03 0.00 0.00 41.12 39.77 2ww3 n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ww3 s LYS 206 N -2.48 0.13 0.40 0.11 2.20 -1.26 -4.90 119.74 113.94 2ww3 s LYS 206 Ca 0.44 0.41 -0.26 0.00 -0.36 0.00 0.00 55.97 56.20 2ww3 s LYS 206 Cb 0.35 -0.15 -0.09 0.00 -1.51 0.00 0.00 37.83 36.44 2ww3 s LYS 206 CO 0.10 -0.16 1.26 -1.25 -0.36 0.00 0.00 175.35 174.94 2ww3 s PRO 207 N 1.14 4.01 0.25 4.03 0.04 -1.26 -4.96 135.00 138.24 2ww3 s PRO 207 Ca -0.09 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 2ww3 s PRO 207 Cb -0.11 -2.74 -0.09 0.00 0.04 0.00 0.00 34.50 31.60 2ww3 s PRO 207 CO -0.06 -0.42 1.24 -0.06 0.04 0.00 0.00 177.00 177.73 2ww3 s PHE 208 N -1.30 3.30 -0.25 0.56 0.08 -1.26 -4.85 117.98 114.26 2ww3 s PHE 208 Ca 0.57 1.41 0.07 0.00 0.12 0.00 0.00 56.93 59.10 2ww3 s PHE 208 Cb -0.36 -3.52 -0.09 0.00 -0.57 0.00 0.00 43.02 38.48 2ww3 s PHE 208 CO 0.45 -1.46 0.26 -2.37 -0.10 0.00 0.00 175.22 172.01 2ww3 n THR 209 N 1.81 0.00 -3.93 0.64 5.66 0.81 -4.98 114.28 114.29 2ww3 n THR 209 Ca 0.03 -0.29 -0.10 0.00 -3.05 0.00 0.00 64.05 60.64 2ww3 n THR 209 Cb 0.43 0.82 -0.11 0.00 -1.55 0.00 0.00 70.33 69.93 2ww3 n THR 209 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 2ww3 s TYR 210 N -1.90 0.15 -0.21 1.09 6.14 -0.75 -4.89 117.35 116.99 2ww3 s TYR 210 Ca 0.01 -0.33 -0.26 0.00 0.64 0.00 0.00 57.07 57.13 2ww3 s TYR 210 Cb 0.05 -0.12 0.07 0.00 0.42 0.00 0.00 41.96 42.38 2ww3 s TYR 210 CO 0.30 -0.23 0.70 -1.59 0.64 0.00 0.00 175.55 175.36 2ww3 s LYS 211 N -1.39 0.88 0.11 4.97 -2.85 -1.26 -1.89 119.74 118.31 2ww3 s LYS 211 Ca -0.15 0.80 -0.23 0.00 -1.00 0.00 0.00 55.97 55.38 2ww3 s LYS 211 Cb -0.09 0.43 0.06 0.00 -2.06 0.00 0.00 37.83 36.17 2ww3 s LYS 211 CO 0.00 -0.16 0.58 0.00 0.10 0.00 0.00 175.35 175.87 2ww3 s ALA 212 N -0.03 -1.51 0.42 0.59 0.00 -0.44 -0.32 121.76 120.47 2ww3 s ALA 212 Ca -0.03 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.58 2ww3 s ALA 212 Cb -0.04 0.65 -0.07 0.00 0.00 0.00 0.00 23.12 23.67 2ww3 s ALA 212 CO 0.03 -0.65 0.08 0.95 0.00 0.00 0.00 175.76 176.17 2ww3 s THR 213 N -3.16 2.07 -0.01 0.00 -4.23 -0.75 -1.65 115.64 107.92 2ww3 s THR 213 Ca -0.02 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 2ww3 s THR 213 Cb -0.00 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 2ww3 s THR 213 CO -0.08 0.00 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.23 2ww3 s VAL 214 N -2.68 0.67 -0.07 2.29 1.01 0.21 -0.72 120.40 121.12 2ww3 s VAL 214 Ca 0.36 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2ww3 s VAL 214 Cb 0.07 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.92 2ww3 s VAL 214 CO 0.19 0.19 0.03 -0.70 0.00 0.00 0.00 175.10 174.81 2ww3 s GLU 215 N -0.20 0.36 -1.40 2.72 2.12 -0.98 -2.15 118.70 119.18 2ww3 s GLU 215 Ca 0.03 0.17 -0.17 0.00 0.36 0.00 0.00 54.97 55.37 2ww3 s GLU 215 Cb -0.03 -0.89 0.02 0.00 0.26 0.00 0.00 34.13 33.49 2ww3 s GLU 215 CO -0.00 -0.34 0.31 0.09 -0.54 0.00 0.00 175.26 174.79 2ww3 n ASN 216 N 5.20 -1.38 0.00 -1.70 5.03 -1.19 -0.47 115.26 120.75 2ww3 n ASN 216 Ca -0.06 -1.30 0.00 0.00 0.87 0.00 0.00 54.58 54.09 2ww3 n ASN 216 Cb 0.50 -1.59 0.00 0.00 -1.02 0.00 0.00 39.78 37.67 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 -2.37 1.24 3.70 7.41 0.00 -1.26 -4.99 105.19 108.92 2ww3 n GLY 217 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.00 6.50 0.03 1.61 0.01 0.38 -4.98 114.94 115.49 2ww3 s ASN 218 Ca 0.00 0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 52.44 2ww3 s ASN 218 Cb 0.00 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 2ww3 s ASN 218 CO 0.00 0.00 0.97 -0.22 -1.51 0.00 0.00 177.10 176.34 2ww3 s LEU 219 N 0.84 4.40 -0.36 0.60 2.96 -1.26 -2.31 118.68 123.55 2ww3 s LEU 219 Ca 0.20 1.68 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 2ww3 s LEU 219 Cb -0.14 -3.57 0.12 0.00 0.50 0.00 0.00 46.19 43.10 2ww3 s LEU 219 CO 0.07 -0.21 0.18 -1.10 -1.32 0.00 0.00 176.35 173.97 2ww3 s GLN 220 N 0.76 0.82 0.26 1.98 -0.21 0.11 -5.00 119.66 118.38 2ww3 s GLN 220 Ca 0.51 -1.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.18 2ww3 s GLN 220 Cb -0.21 -1.85 -0.11 0.00 1.00 0.00 0.00 33.01 31.83 2ww3 s GLN 220 CO 0.28 -1.11 1.55 -2.00 -2.12 0.00 0.00 175.29 171.89 2ww3 s GLU 221 N 1.09 4.18 0.00 2.91 2.12 -1.26 -1.81 118.70 125.93 2ww3 s GLU 221 Ca 0.14 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.94 2ww3 s GLU 221 Cb -0.21 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.11 2ww3 s GLU 221 CO -0.11 -0.57 0.00 0.09 -0.54 0.00 0.00 175.26 174.14 2ww3 n ASN 222 N 2.49 -3.90 -4.61 -1.70 3.02 0.56 -4.91 115.26 106.20 2ww3 n ASN 222 Ca 0.09 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.24 2ww3 n ASN 222 Cb 0.38 -1.81 -0.09 0.00 -0.61 0.00 0.00 39.78 37.65 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 -1.66 5.15 -0.61 2.41 1.01 -1.11 -4.98 120.40 120.62 2ww3 s VAL 223 Ca 0.00 0.65 0.25 0.00 0.00 0.00 0.00 61.98 62.88 2ww3 s VAL 223 Cb 0.00 -3.73 0.30 0.00 0.00 0.00 0.00 36.38 32.96 2ww3 s VAL 223 CO 0.00 0.15 1.73 0.00 0.00 0.00 0.00 175.10 176.98 2ww3 h ALA 224 N 8.06 1.00 -2.40 5.51 0.00 -1.89 -3.22 119.26 126.32 2ww3 h ALA 224 Ca -0.31 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2ww3 h ALA 224 Cb 1.16 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 2ww3 h ALA 224 CO 0.67 0.00 -0.16 -2.00 0.00 0.00 0.00 179.25 177.76 2ww3 s GLU 225 N -3.16 0.77 -0.16 0.00 2.12 -1.26 -0.48 118.70 116.54 2ww3 s GLU 225 Ca 0.09 -0.11 -0.12 0.00 0.36 0.00 0.00 54.97 55.20 2ww3 s GLU 225 Cb 0.10 0.35 0.05 0.00 0.26 0.00 0.00 34.13 34.89 2ww3 s GLU 225 CO 0.61 -0.23 0.41 -0.65 -0.54 0.00 0.00 175.26 174.86 2ww3 s GLN 226 N -1.39 0.43 -0.17 4.30 -1.52 -0.82 -5.00 119.66 115.49 2ww3 s GLN 226 Ca -0.12 0.67 0.01 0.00 -1.95 0.00 0.00 55.36 53.96 2ww3 s GLN 226 Cb -0.04 0.11 0.03 0.00 -0.22 0.00 0.00 33.01 32.89 2ww3 s GLN 226 CO 0.05 -0.11 -0.15 0.99 -0.25 0.00 0.00 175.29 175.83 2ww3 s THR 227 N 0.79 1.72 0.13 -0.19 2.01 -1.26 -2.17 115.64 116.66 2ww3 s THR 227 Ca -0.05 -0.82 -0.25 0.00 0.31 0.00 0.00 61.69 60.88 2ww3 s THR 227 Cb -0.06 -1.65 0.08 0.00 0.01 0.00 0.00 72.50 70.89 2ww3 s THR 227 CO -0.06 0.39 1.05 0.28 -0.69 0.00 0.00 174.62 175.60 2ww3 s THR 228 N 1.41 0.00 0.18 -0.82 -1.32 -1.05 -5.03 115.64 109.01 2ww3 s THR 228 Ca 0.03 -0.55 -0.13 0.00 -1.21 0.00 0.00 61.69 59.82 2ww3 s THR 228 Cb -0.14 -2.26 0.07 0.00 -1.51 0.00 0.00 72.50 68.66 2ww3 s THR 228 CO -0.10 0.00 1.78 -0.78 -2.21 0.00 0.00 174.62 173.30 2ww3 h ASP 229 N 2.00 0.33 -3.01 8.08 3.58 -1.94 0.40 116.42 125.87 2ww3 h ASP 229 Ca -0.26 0.03 -0.59 0.00 0.42 0.00 0.00 57.03 56.63 2ww3 h ASP 229 Cb 1.22 -0.03 -0.40 0.00 1.72 0.00 0.00 39.33 41.85 2ww3 h ASP 229 CO 0.29 0.23 -0.80 -2.28 -2.88 0.00 0.00 179.24 173.80 2ww3 s HIS 230 N -6.13 1.28 0.19 0.28 2.46 -1.26 -0.53 115.29 111.58 2ww3 s HIS 230 Ca -0.13 -1.95 -0.24 0.00 0.47 0.00 0.00 55.06 53.21 2ww3 s HIS 230 Cb 0.14 -1.36 -0.08 0.00 -0.13 0.00 0.00 32.58 31.15 2ww3 s HIS 230 CO 0.73 -0.81 0.78 0.00 -2.47 0.00 0.00 174.74 172.97 2ww3 s ALA 231 N 0.81 3.43 0.17 1.58 0.00 -1.25 -3.14 121.76 123.35 2ww3 s ALA 231 Ca 0.17 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 2ww3 s ALA 231 Cb -0.23 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2ww3 s ALA 231 CO -0.01 0.29 0.12 0.20 0.00 0.00 0.00 175.76 176.37 2ww3 s GLY 232 N -1.28 1.10 -0.02 0.00 0.00 -0.91 -1.80 107.32 104.40 2ww3 s GLY 232 Ca 0.38 -1.48 -0.05 0.00 0.00 0.00 0.00 44.72 43.56 2ww3 s GLY 232 CO 0.25 -1.30 0.12 0.00 0.00 0.00 0.00 173.10 172.17 2ww3 s ALA 233 N -4.08 -0.29 -0.09 3.20 0.00 -0.18 -0.62 121.76 119.69 2ww3 s ALA 233 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2ww3 s ALA 233 Cb 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.17 2ww3 s ALA 233 CO 0.06 -0.14 -0.04 0.42 0.00 0.00 0.00 175.76 176.06 2ww3 s ILE 234 N -0.72 0.71 0.12 0.00 1.01 -0.66 -0.01 121.20 121.65 2ww3 s ILE 234 Ca -0.08 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.57 2ww3 s ILE 234 Cb -0.05 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2ww3 s ILE 234 CO 0.01 0.31 -0.23 0.27 0.00 0.00 0.00 174.94 175.31 2ww3 s ILE 235 N 1.79 1.90 0.19 2.92 -5.25 -0.96 -1.32 121.20 120.47 2ww3 s ILE 235 Ca 0.04 -1.66 -0.03 0.00 -0.99 0.00 0.00 60.65 58.01 2ww3 s ILE 235 Cb -0.12 -1.73 0.01 0.00 2.95 0.00 0.00 42.46 43.57 2ww3 s ILE 235 CO -0.06 -0.04 0.31 0.61 -1.79 0.00 0.00 174.94 173.97 2ww3 n GLY 236 N 0.94 2.23 3.85 6.27 0.00 -0.79 0.19 105.19 117.88 2ww3 n GLY 236 Ca -0.18 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.47 2ww3 n GLY 236 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ww3 s PHE 237 N -4.38 0.00 -0.03 1.61 -0.00 -0.20 -0.13 117.98 114.85 2ww3 s PHE 237 Ca 0.13 -0.10 -0.14 0.00 -0.00 0.00 0.00 56.93 56.83 2ww3 s PHE 237 Cb -0.01 0.55 -0.05 0.00 -0.00 0.00 0.00 43.02 43.50 2ww3 s PHE 237 CO 0.10 -0.23 0.36 -1.59 -0.00 0.00 0.00 175.22 173.86 2ww3 s LYS 238 N -2.12 3.88 0.06 1.99 -2.85 -1.26 -1.83 119.74 117.62 2ww3 s LYS 238 Ca 0.24 0.32 0.06 0.00 -1.00 0.00 0.00 55.97 55.59 2ww3 s LYS 238 Cb 0.02 -3.24 -0.03 0.00 -2.06 0.00 0.00 37.83 32.52 2ww3 s LYS 238 CO -0.02 0.66 -0.17 0.95 0.10 0.00 0.00 175.35 176.86 2ww3 s THR 239 N -0.91 1.35 0.48 3.79 -4.23 0.61 -4.99 115.64 111.74 2ww3 s THR 239 Ca 0.22 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2ww3 s THR 239 Cb -0.16 -1.22 0.01 0.00 1.34 0.00 0.00 72.50 72.47 2ww3 s THR 239 CO 0.11 0.00 0.70 0.00 -0.54 0.00 0.00 174.62 174.89 2ww3 s ARG 240 N -1.39 2.89 0.23 3.99 1.70 -1.26 -1.11 118.95 124.00 2ww3 s ARG 240 Ca 0.03 -0.60 -0.32 0.00 -0.47 0.00 0.00 55.73 54.37 2ww3 s ARG 240 Cb -0.09 -2.54 -0.12 0.00 -0.57 0.00 0.00 34.95 31.63 2ww3 s ARG 240 CO 0.02 -0.41 1.64 1.17 -1.08 0.00 0.00 175.30 176.64 2ww3 n LYS 241 N -2.16 2.61 -0.80 3.89 4.81 -1.26 -1.58 118.16 123.67 2ww3 n LYS 241 Ca 0.04 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 2ww3 n LYS 241 Cb 0.58 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.90 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 3.15 0.69 3.72 3.14 0.00 -0.05 -4.80 105.19 111.04 2ww3 n GLY 242 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.34 4.15 -0.19 1.61 2.12 -0.61 -4.60 118.70 120.84 2ww3 s GLU 243 Ca 0.00 2.54 -0.09 0.00 0.36 0.00 0.00 54.97 57.78 2ww3 s GLU 243 Cb 0.00 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.25 2ww3 s GLU 243 CO 0.00 -0.70 0.10 -0.65 -0.54 0.00 0.00 175.26 173.47 2ww3 s GLN 244 N 1.04 4.04 -0.12 4.30 -0.21 -1.26 -0.57 119.66 126.88 2ww3 s GLN 244 Ca 0.73 -0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.83 2ww3 s GLN 244 Cb -0.48 -3.32 -0.02 0.00 1.00 0.00 0.00 33.01 30.19 2ww3 s GLN 244 CO 0.33 0.33 -0.09 0.08 -2.12 0.00 0.00 175.29 173.82 2ww3 s VAL 245 N 0.25 3.47 -0.10 1.09 1.01 -0.06 -4.96 120.40 121.09 2ww3 s VAL 245 Ca 0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2ww3 s VAL 245 Cb -0.12 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2ww3 s VAL 245 CO -0.01 0.53 -0.05 0.20 0.00 0.00 0.00 175.10 175.77 2ww3 s ASN 246 N 0.09 4.78 -0.12 3.32 0.01 -1.26 -0.57 114.94 121.20 2ww3 s ASN 246 Ca -0.03 -0.03 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 2ww3 s ASN 246 Cb -0.14 -1.43 0.01 0.00 0.41 0.00 0.00 41.25 40.11 2ww3 s ASN 246 CO 0.04 0.30 -0.16 0.00 -1.51 0.00 0.00 177.10 175.77 2ww3 s ALA 247 N -0.43 1.78 -0.23 0.60 0.00 0.76 -2.11 121.76 122.14 2ww3 s ALA 247 Ca 0.07 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 2ww3 s ALA 247 Cb -0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 2ww3 s ALA 247 CO 0.02 -0.09 0.28 1.03 0.00 0.00 0.00 175.76 177.00 2ww3 s ARG 248 N 0.99 4.10 0.06 0.00 0.52 -0.29 -0.35 118.95 123.99 2ww3 s ARG 248 Ca -0.06 -0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.17 2ww3 s ARG 248 Cb -0.15 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 2ww3 s ARG 248 CO -0.02 -0.02 -0.19 0.42 0.02 0.00 0.00 175.30 175.51 2ww3 s ILE 249 N 1.27 1.54 0.11 1.52 1.01 -0.26 -1.01 121.20 125.39 2ww3 s ILE 249 Ca 0.13 -1.26 -0.17 0.00 0.00 0.00 0.00 60.65 59.34 2ww3 s ILE 249 Cb -0.14 -1.37 0.04 0.00 0.01 0.00 0.00 42.46 41.00 2ww3 s ILE 249 CO 0.07 0.07 0.43 0.00 0.00 0.00 0.00 174.94 175.50 2ww3 s ALA 250 N -0.94 -1.03 0.18 9.38 0.00 -0.96 -0.69 121.76 127.70 2ww3 s ALA 250 Ca 0.05 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 2ww3 s ALA 250 Cb -0.09 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2ww3 s ALA 250 CO 0.02 -0.62 0.26 -1.54 0.00 0.00 0.00 175.76 173.88 2ww3 s SER 251 N -2.63 0.08 0.04 0.00 1.04 -1.21 -1.30 113.70 109.71 2ww3 s SER 251 Ca 0.01 -1.04 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 2ww3 s SER 251 Cb 0.01 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.60 2ww3 s SER 251 CO -0.10 -0.91 0.40 -0.55 0.98 0.00 0.00 173.24 173.07 2ww3 s SER 252 N -3.03 -0.27 0.00 7.02 0.15 0.11 -4.78 113.70 112.89 2ww3 s SER 252 Ca 0.24 0.01 0.23 0.00 0.70 0.00 0.00 55.95 57.13 2ww3 s SER 252 Cb 0.04 0.41 0.47 0.00 -1.71 0.00 0.00 66.02 65.23 2ww3 s SER 252 CO 0.04 -0.64 1.43 0.49 1.20 0.00 0.00 173.24 175.76 2ww3 n PHE 253 N 0.59 0.53 -0.10 3.44 3.01 -1.26 0.29 117.46 123.95 2ww3 n PHE 253 Ca -0.19 -0.26 -0.20 0.00 1.01 0.00 0.00 57.45 57.81 2ww3 n PHE 253 Cb 0.59 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.99 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 1.43 1.09 -3.63 4.37 5.41 -1.26 -4.71 119.36 122.05 2ww3 n ILE 254 Ca 0.20 -0.29 0.03 0.00 1.00 0.00 0.00 62.75 63.68 2ww3 n ILE 254 Cb 0.59 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 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 -6.67 -0.02 0.20 4.38 1.04 -1.26 -4.97 113.70 106.40 2ww3 s SER 255 Ca -0.27 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 2ww3 s SER 255 Cb 0.10 0.06 0.12 0.00 0.10 0.00 0.00 66.02 66.41 2ww3 s SER 255 CO 0.36 -0.11 1.73 -0.26 0.98 0.00 0.00 173.24 175.94 2ww3 h PHE 256 N 2.00 1.18 -0.38 5.02 0.04 -1.94 -1.77 116.94 121.09 2ww3 h PHE 256 Ca -0.31 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.37 2ww3 h PHE 256 Cb 1.19 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.97 2ww3 h PHE 256 CO 0.45 0.94 0.16 0.93 -0.60 0.00 0.00 178.31 180.19 2ww3 h GLU 257 N 1.08 0.33 0.00 1.51 3.07 -2.00 -1.16 114.58 117.42 2ww3 h GLU 257 Ca 0.23 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.02 2ww3 h GLU 257 Cb 0.31 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2ww3 h GLU 257 CO -0.01 0.22 -0.26 0.37 -1.40 0.00 0.00 179.01 177.94 2ww3 h GLN 258 N 0.34 0.00 -0.64 2.33 5.75 -1.91 -1.84 115.11 119.14 2ww3 h GLN 258 Ca 0.17 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.58 2ww3 h GLN 258 Cb 0.11 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2ww3 h GLN 258 CO -0.14 0.26 0.06 0.00 -2.65 0.00 0.00 178.83 176.36 2ww3 h ALA 259 N 1.74 0.88 -0.20 3.38 0.00 -0.50 -1.83 119.26 122.73 2ww3 h ALA 259 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2ww3 h ALA 259 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ww3 h ALA 259 CO 0.03 0.67 0.09 0.00 0.00 0.00 0.00 179.25 180.05 2ww3 h ALA 260 N 1.04 0.26 -0.90 0.00 0.00 -0.40 -1.76 119.26 117.49 2ww3 h ALA 260 Ca 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2ww3 h ALA 260 Cb 0.50 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2ww3 h ALA 260 CO 0.02 -0.18 0.59 0.00 0.00 0.00 0.00 179.25 179.68 2ww3 h ALA 261 N 0.95 1.48 -0.35 0.00 0.00 -1.39 -2.39 119.26 117.57 2ww3 h ALA 261 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2ww3 h ALA 261 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2ww3 h ALA 261 CO -0.01 0.40 0.01 -0.91 0.00 0.00 0.00 179.25 178.74 2ww3 h ASN 262 N 1.06 0.51 -0.64 0.00 2.35 -0.81 -2.09 115.58 115.97 2ww3 h ASN 262 Ca 0.38 -0.09 0.18 0.00 -0.55 0.00 0.00 56.30 56.22 2ww3 h ASN 262 Cb 0.13 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2ww3 h ASN 262 CO -0.13 0.57 0.47 -0.03 -1.65 0.00 0.00 177.43 176.66 2ww3 h MET 263 N 0.52 0.00 -0.08 0.81 4.05 -0.79 -2.37 114.93 117.07 2ww3 h MET 263 Ca 0.11 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.56 2ww3 h MET 263 Cb 0.33 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 2ww3 h MET 263 CO 0.01 0.00 0.10 -0.91 0.23 0.00 0.00 176.91 176.34 2ww3 h ASN 264 N 0.00 0.00 -0.06 1.39 -0.26 -1.43 -1.37 115.58 113.85 2ww3 h ASN 264 Ca 0.30 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 56.06 2ww3 h ASN 264 Cb 1.23 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.49 2ww3 h ASN 264 CO -0.00 0.00 0.16 -0.33 -1.06 0.00 0.00 177.43 176.19 2ww3 h GLU 265 N 0.00 0.00 0.00 0.81 5.08 -1.61 0.12 114.58 118.98 2ww3 h GLU 265 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2ww3 h GLU 265 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2ww3 h GLU 265 CO -0.00 0.00 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.91 2ww3 h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.47 -3.49 115.31 115.06 2ww3 h LEU 266 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ww3 h LEU 266 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ww3 h LEU 266 CO -0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2ww3 n GLY 267 N 0.96 2.25 1.85 0.83 0.00 0.40 -2.39 105.19 109.08 2ww3 n GLY 267 Ca 0.03 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 2ww3 n GLY 267 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ww3 n LYS 268 N 14.00 3.26 -2.33 1.61 0.00 -1.26 -4.98 118.16 128.46 2ww3 n LYS 268 Ca 0.00 -4.02 -0.34 0.00 -0.00 0.00 0.00 58.31 53.95 2ww3 n LYS 268 Cb 0.00 -2.15 -0.01 0.00 -0.00 0.00 0.00 35.03 32.86 2ww3 n LYS 268 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ww3 s ASP 269 N -3.55 6.01 0.70 -5.58 1.01 -1.01 -5.06 116.67 109.19 2ww3 s ASP 269 Ca 0.48 1.98 -0.00 0.00 0.71 0.00 0.00 52.55 55.71 2ww3 s ASP 269 Cb 0.40 -2.56 0.13 0.00 1.01 0.00 0.00 42.92 41.90 2ww3 s ASP 269 CO 0.02 -1.02 0.89 -0.46 0.21 0.00 0.00 175.17 174.81 2ww3 n ASN 270 N -1.34 1.18 -0.01 0.27 0.23 -1.26 -4.83 115.26 109.50 2ww3 n ASN 270 Ca 0.10 -2.00 -0.10 0.00 -0.53 0.00 0.00 54.58 52.05 2ww3 n ASN 270 Cb 0.52 -0.58 -0.04 0.00 -2.08 0.00 0.00 39.78 37.61 2ww3 n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2ww3 h ILE 271 N -0.60 0.29 -0.76 1.53 1.08 -1.97 -0.34 117.51 116.75 2ww3 h ILE 271 Ca -0.29 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 2ww3 h ILE 271 Cb 1.08 0.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.07 2ww3 h ILE 271 CO 0.31 0.00 0.48 -0.33 -0.69 0.00 0.00 178.15 177.92 2ww3 h GLU 272 N -0.37 0.91 -0.17 2.37 3.07 -1.98 0.30 114.58 118.69 2ww3 h GLU 272 Ca 0.10 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 2ww3 h GLU 272 Cb 0.54 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 2ww3 h GLU 272 CO -0.37 0.60 -0.03 1.96 -1.40 0.00 0.00 179.01 179.78 2ww3 h GLN 273 N 0.94 0.33 -0.46 2.33 4.20 -1.87 -0.76 115.11 119.81 2ww3 h GLN 273 Ca 0.30 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2ww3 h GLN 273 Cb 0.02 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2ww3 h GLN 273 CO -0.11 0.58 0.27 -0.07 -0.67 0.00 0.00 178.83 178.82 2ww3 h LEU 274 N 0.05 0.56 -0.35 1.46 3.38 -0.78 -0.90 115.31 118.74 2ww3 h LEU 274 Ca 0.05 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2ww3 h LEU 274 Cb 0.45 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2ww3 h LEU 274 CO 0.01 0.47 -0.03 0.00 0.09 0.00 0.00 178.44 178.99 2ww3 h ALA 275 N 1.11 0.29 -0.77 1.53 0.00 -0.31 -0.76 119.26 120.35 2ww3 h ALA 275 Ca 0.16 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2ww3 h ALA 275 Cb 0.02 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2ww3 h ALA 275 CO -0.03 -0.42 0.43 0.37 0.00 0.00 0.00 179.25 179.60 2ww3 h GLN 276 N 0.06 1.06 -0.02 0.00 5.75 -0.81 -0.21 115.11 120.94 2ww3 h GLN 276 Ca 0.17 -0.11 -0.12 0.00 -0.15 0.00 0.00 58.65 58.44 2ww3 h GLN 276 Cb 0.24 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 2ww3 h GLN 276 CO -0.31 0.77 -0.53 0.87 -2.65 0.00 0.00 178.83 176.98 2ww3 h LYS 277 N 1.07 0.06 -0.24 1.69 1.57 -0.25 0.60 116.57 121.07 2ww3 h LYS 277 Ca 0.27 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 2ww3 h LYS 277 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2ww3 h LYS 277 CO -0.05 0.58 -0.07 0.78 -0.57 0.00 0.00 179.45 180.12 2ww3 h GLY 278 N 1.55 0.51 0.21 3.86 0.00 -0.61 -0.75 103.07 107.84 2ww3 h GLY 278 Ca -0.00 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.01 2ww3 h GLY 278 CO 0.07 0.39 0.15 1.70 0.00 0.00 0.00 176.54 178.85 2ww3 h LYS 279 N 0.21 0.28 -0.22 4.80 3.64 -0.76 -0.10 116.57 124.42 2ww3 h LYS 279 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2ww3 h LYS 279 Cb 0.54 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2ww3 h LYS 279 CO 0.03 0.18 0.12 -0.44 -2.27 0.00 0.00 179.45 177.07 2ww3 h ASP 280 N 0.29 0.27 -0.78 4.20 3.32 -0.63 -0.68 116.42 122.40 2ww3 h ASP 280 Ca 0.32 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 2ww3 h ASP 280 Cb 0.46 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2ww3 h ASP 280 CO -0.39 0.27 0.31 0.00 -1.72 0.00 0.00 179.24 177.71 2ww3 h ALA 281 N 1.01 1.01 -0.01 3.45 0.00 -0.53 -0.68 119.26 123.51 2ww3 h ALA 281 Ca 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ww3 h ALA 281 Cb 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2ww3 h ALA 281 CO -0.01 0.64 0.00 -1.49 0.00 0.00 0.00 179.25 178.39 2ww3 h TRP 282 N 1.13 0.02 0.00 0.00 4.06 -0.87 -2.80 115.95 117.48 2ww3 h TRP 282 Ca 0.26 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.20 2ww3 h TRP 282 Cb 0.22 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 2ww3 h TRP 282 CO 0.02 0.21 -0.02 -0.91 -3.56 0.00 0.00 178.44 174.18 2ww3 h ASN 283 N -0.18 0.00 0.19 -3.49 -0.26 -0.96 0.72 115.58 111.61 2ww3 h ASN 283 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2ww3 h ASN 283 Cb 0.20 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 2ww3 h ASN 283 CO -0.00 0.02 -0.20 -0.61 -1.06 0.00 0.00 177.43 175.58 2ww3 h GLN 284 N 0.00 -0.41 0.18 0.81 5.75 -0.87 -0.32 115.11 120.25 2ww3 h GLN 284 Ca -0.00 0.03 -0.31 0.00 -0.15 0.00 0.00 58.65 58.22 2ww3 h GLN 284 Cb 0.04 0.09 0.03 0.00 1.07 0.00 0.00 27.48 28.71 2ww3 h GLN 284 CO 0.00 -0.27 -1.34 -0.39 -2.65 0.00 0.00 178.83 174.18 2ww3 h VAL 285 N -0.42 1.31 -0.93 2.39 -1.51 -1.13 -3.35 116.25 112.61 2ww3 h VAL 285 Ca 0.00 -2.62 -0.01 0.00 -1.23 0.00 0.00 66.70 62.84 2ww3 h VAL 285 Cb 0.40 2.86 -0.04 0.00 -2.13 0.00 0.00 31.29 32.38 2ww3 h VAL 285 CO -0.05 0.79 0.54 -0.07 -1.23 0.00 0.00 177.57 177.55 2ww3 h LEU 286 N 0.20 1.13 0.00 4.19 3.38 0.39 -2.62 115.31 121.98 2ww3 h LEU 286 Ca -0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ww3 h LEU 286 Cb 2.03 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.49 2ww3 h LEU 286 CO 0.25 0.89 0.00 0.61 0.09 0.00 0.00 178.44 180.28 2ww3 n GLY 287 N -1.19 -0.78 0.17 0.83 0.00 -0.13 -2.47 105.19 101.60 2ww3 n GLY 287 Ca 0.10 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2ww3 n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww3 h LYS 288 N 0.00 0.00 -3.86 1.61 1.79 -1.59 -3.38 116.57 111.14 2ww3 h LYS 288 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2ww3 h LYS 288 Cb 0.09 0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.35 2ww3 h LYS 288 CO 0.00 0.00 -0.78 0.42 -1.08 0.00 0.00 179.45 178.01 2ww3 s ILE 289 N -3.49 0.73 -0.26 1.86 1.01 -1.03 -0.63 121.20 119.39 2ww3 s ILE 289 Ca 0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2ww3 s ILE 289 Cb 0.08 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.56 2ww3 s ILE 289 CO 0.31 0.08 0.02 -1.61 0.00 0.00 0.00 174.94 173.74 2ww3 s GLU 290 N 1.80 3.16 0.06 2.79 2.02 -0.59 -4.95 118.70 122.99 2ww3 s GLU 290 Ca 0.02 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.24 2ww3 s GLU 290 Cb -0.15 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2ww3 s GLU 290 CO -0.07 -0.35 0.08 0.14 0.02 0.00 0.00 175.26 175.08 2ww3 s VAL 291 N 1.47 4.58 0.07 2.63 -7.23 -1.26 -0.45 120.40 120.21 2ww3 s VAL 291 Ca 0.03 -0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.51 2ww3 s VAL 291 Cb -0.16 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.56 2ww3 s VAL 291 CO -0.00 0.18 0.01 -1.61 -0.31 0.00 0.00 175.10 173.37 2ww3 s GLU 292 N -2.22 0.70 -0.81 4.82 2.02 0.16 -4.94 118.70 118.42 2ww3 s GLU 292 Ca 0.28 -1.24 -0.03 0.00 0.02 0.00 0.00 54.97 53.99 2ww3 s GLU 292 Cb -0.12 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.34 2ww3 s GLU 292 CO 0.20 -0.16 0.70 0.41 0.02 0.00 0.00 175.26 176.43 2ww3 n GLY 293 N 0.05 -0.02 1.04 -1.39 0.00 -1.26 -2.42 105.19 101.18 2ww3 n GLY 293 Ca -0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.29 3.83 3.99 -0.02 0.00 -1.26 -2.52 105.19 107.92 2ww3 n GLY 294 Ca -0.08 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.77 5.59 0.28 1.61 2.20 -1.26 -4.95 114.94 116.63 2ww3 s ASN 295 Ca 0.07 -0.45 -0.02 0.00 -0.94 0.00 0.00 52.86 51.51 2ww3 s ASN 295 Cb 0.00 -0.68 0.41 0.00 -2.00 0.00 0.00 41.25 38.99 2ww3 s ASN 295 CO 0.05 -0.73 1.92 0.25 -2.94 0.00 0.00 177.10 175.65 2ww3 h LEU 296 N 0.71 1.02 -0.78 3.54 5.85 -2.02 -1.21 115.31 122.41 2ww3 h LEU 296 Ca -0.40 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.36 2ww3 h LEU 296 Cb 1.28 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 2ww3 h LEU 296 CO 0.47 0.69 0.47 0.44 -0.34 0.00 0.00 178.44 180.18 2ww3 h ASP 297 N 1.18 0.73 -0.20 1.25 3.32 -1.99 -0.61 116.42 120.10 2ww3 h ASP 297 Ca 0.38 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 2ww3 h ASP 297 Cb 0.03 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 2ww3 h ASP 297 CO -0.12 0.47 -0.21 1.56 -1.72 0.00 0.00 179.24 179.23 2ww3 h GLN 298 N 0.87 0.50 -0.36 3.56 4.20 -1.65 0.82 115.11 123.04 2ww3 h GLN 298 Ca 0.34 -0.26 0.06 0.00 0.06 0.00 0.00 58.65 58.85 2ww3 h GLN 298 Cb 0.16 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 2ww3 h GLN 298 CO -0.17 0.84 0.02 1.88 -0.67 0.00 0.00 178.83 180.73 2ww3 h TYR 299 N 0.17 0.02 -0.56 2.96 0.05 -1.10 0.11 116.97 118.62 2ww3 h TYR 299 Ca 0.03 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2ww3 h TYR 299 Cb 0.75 0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.51 2ww3 h TYR 299 CO 0.08 -0.04 0.23 0.00 -1.05 0.00 0.00 178.16 177.38 2ww3 h ARG 300 N 0.12 0.83 -0.41 4.88 3.08 -0.85 -1.42 114.38 120.63 2ww3 h ARG 300 Ca 0.17 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2ww3 h ARG 300 Cb 0.23 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2ww3 h ARG 300 CO -0.28 0.71 0.07 1.15 -1.07 0.00 0.00 179.97 180.56 2ww3 h THR 301 N 0.77 1.24 -0.03 2.04 2.02 -0.43 -1.43 112.91 117.08 2ww3 h THR 301 Ca 0.19 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 2ww3 h THR 301 Cb 0.18 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2ww3 h THR 301 CO -0.02 0.30 0.02 0.15 0.37 0.00 0.00 175.52 176.34 2ww3 h PHE 302 N 0.53 0.04 0.00 3.16 3.57 -0.52 -1.12 116.94 122.59 2ww3 h PHE 302 Ca 0.12 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 2ww3 h PHE 302 Cb 0.36 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2ww3 h PHE 302 CO 0.02 0.08 -0.67 1.88 -2.23 0.00 0.00 178.31 177.39 2ww3 h TYR 303 N -0.02 0.00 -0.44 0.41 0.05 -1.27 -0.16 116.97 115.54 2ww3 h TYR 303 Ca 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2ww3 h TYR 303 Cb 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2ww3 h TYR 303 CO -0.06 0.61 0.07 0.77 -1.05 0.00 0.00 178.16 178.50 2ww3 h SER 304 N 0.00 0.71 -0.43 3.88 0.02 -1.23 -1.00 113.55 115.50 2ww3 h SER 304 Ca -0.02 -0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 2ww3 h SER 304 Cb 1.48 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2ww3 h SER 304 CO 0.08 0.79 -0.11 0.00 -1.14 0.00 0.00 176.83 176.45 2ww3 h LEU 306 N 0.80 0.36 -0.56 0.00 5.85 -0.89 -2.02 115.31 118.86 2ww3 h LEU 306 Ca 0.13 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.73 2ww3 h LEU 306 Cb 0.63 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 2ww3 h LEU 306 CO 0.04 0.50 -0.08 0.22 -0.34 0.00 0.00 178.44 178.79 2ww3 h TYR 307 N 0.21 -0.19 0.00 1.25 3.20 -1.14 0.25 116.97 120.55 2ww3 h TYR 307 Ca 0.07 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2ww3 h TYR 307 Cb 0.28 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2ww3 h TYR 307 CO 0.01 -0.20 0.00 0.54 -1.64 0.00 0.00 178.16 176.87 2ww3 n ARG 308 N -5.34 0.15 0.00 1.82 5.12 -0.89 -1.82 116.66 115.71 2ww3 n ARG 308 Ca 0.06 0.46 0.13 0.00 -1.93 0.00 0.00 57.85 56.57 2ww3 n ARG 308 Cb 0.30 -1.83 0.37 0.00 -1.16 0.00 0.00 32.46 30.15 2ww3 n ARG 308 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2ww3 n SER 309 N -2.11 1.57 -0.82 0.55 7.64 0.06 -3.77 113.62 116.74 2ww3 n SER 309 Ca 0.01 -1.36 0.03 0.00 1.01 0.00 0.00 58.87 58.56 2ww3 n SER 309 Cb 0.16 0.09 0.18 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.02 2.84 -0.04 -3.43 4.77 -0.75 -4.69 117.00 115.72 2ww3 n LEU 310 Ca 0.15 -3.89 -0.06 0.00 -0.03 0.00 0.00 56.01 52.19 2ww3 n LEU 310 Cb 0.39 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 2ww3 n LEU 310 CO 0.21 1.43 -0.78 0.18 -1.33 0.00 0.00 177.39 177.10 2ww3 n LEU 311 N -0.98 2.86 -4.28 2.23 4.77 -1.25 -1.11 117.00 119.24 2ww3 n LEU 311 Ca 0.21 -0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.90 2ww3 n LEU 311 Cb 0.75 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 2ww3 n LEU 311 CO 0.01 0.62 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.80 2ww3 s PHE 312 N -2.17 1.84 0.67 -1.77 0.40 -1.26 -3.66 117.98 112.03 2ww3 s PHE 312 Ca -0.12 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.68 2ww3 s PHE 312 Cb 0.03 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.51 2ww3 s PHE 312 CO 0.19 0.15 1.09 -1.25 0.70 0.00 0.00 175.22 176.11 2ww3 s PRO 313 N -1.54 2.80 0.30 0.24 0.04 -1.26 -4.93 135.00 130.64 2ww3 s PRO 313 Ca 0.07 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.22 2ww3 s PRO 313 Cb -0.09 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2ww3 s PRO 313 CO 0.03 -1.24 0.76 -0.98 0.04 0.00 0.00 177.00 175.61 2ww3 s ARG 314 N -4.32 4.14 0.31 4.56 1.70 0.25 -4.77 118.95 120.81 2ww3 s ARG 314 Ca 0.65 0.81 -0.28 0.00 -0.47 0.00 0.00 55.73 56.43 2ww3 s ARG 314 Cb -0.19 -2.59 -0.13 0.00 -0.57 0.00 0.00 34.95 31.47 2ww3 s ARG 314 CO 0.44 0.23 1.16 1.63 -1.08 0.00 0.00 175.30 177.68 2ww3 n LYS 315 N 0.04 1.73 -0.37 3.89 5.02 0.75 -2.34 118.16 126.87 2ww3 n LYS 315 Ca 0.02 0.61 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 2ww3 n LYS 315 Cb 0.52 -2.09 0.08 0.00 -0.02 0.00 0.00 35.03 33.52 2ww3 n LYS 315 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ww3 n PHE 316 N 0.38 0.00 -4.38 2.13 7.35 0.99 -3.94 117.46 119.99 2ww3 n PHE 316 Ca 0.08 -0.56 -0.25 0.00 -0.76 0.00 0.00 57.45 55.95 2ww3 n PHE 316 Cb 0.34 -0.11 -0.09 0.00 0.35 0.00 0.00 39.48 39.96 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 -1.48 2.52 0.06 -5.13 -0.85 -1.16 -4.47 117.35 106.84 2ww3 s TYR 317 Ca 0.19 -0.48 -0.03 0.00 -0.52 0.00 0.00 57.07 56.22 2ww3 s TYR 317 Cb 0.17 -1.53 -0.03 0.00 0.38 0.00 0.00 41.96 40.95 2ww3 s TYR 317 CO -0.00 0.47 0.03 -1.21 -1.52 0.00 0.00 175.55 173.32 2ww3 s GLU 318 N -3.71 0.65 -0.12 -3.49 2.02 0.07 -4.96 118.70 109.16 2ww3 s GLU 318 Ca 0.35 -1.08 -0.14 0.00 0.02 0.00 0.00 54.97 54.11 2ww3 s GLU 318 Cb 0.02 0.24 -0.05 0.00 0.10 0.00 0.00 34.13 34.44 2ww3 s GLU 318 CO 0.19 -0.15 0.34 -0.51 0.02 0.00 0.00 175.26 175.15 2ww3 s LEU 319 N -2.75 4.30 0.99 1.80 2.01 -1.26 -1.02 118.68 122.74 2ww3 s LEU 319 Ca 0.04 0.65 -0.16 0.00 0.01 0.00 0.00 54.13 54.67 2ww3 s LEU 319 Cb 0.05 -2.46 0.23 0.00 0.01 0.00 0.00 46.19 44.02 2ww3 s LEU 319 CO -0.09 0.14 1.35 1.51 1.01 0.00 0.00 176.35 180.27 2ww3 s ASP 320 N 0.12 2.83 0.47 2.29 1.47 -0.13 -4.79 116.67 118.94 2ww3 s ASP 320 Ca 0.20 0.12 0.25 0.00 1.18 0.00 0.00 52.55 54.29 2ww3 s ASP 320 Cb -0.14 -0.07 1.34 0.00 -0.34 0.00 0.00 42.92 43.71 2ww3 s ASP 320 CO 0.07 -2.90 1.72 0.00 0.68 0.00 0.00 175.17 174.74 2ww3 h ALA 321 N -1.75 1.16 -0.34 2.11 0.00 -1.98 0.50 119.26 118.96 2ww3 h ALA 321 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ww3 h ALA 321 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ww3 h ALA 321 CO 0.31 -0.16 0.00 0.09 0.00 0.00 0.00 179.25 179.50 2ww3 n ASN 322 N -2.49 3.84 -1.67 0.00 3.02 -1.26 -4.97 115.26 111.74 2ww3 n ASN 322 Ca -0.02 -2.70 -0.17 0.00 -0.03 0.00 0.00 54.58 51.66 2ww3 n ASN 322 Cb 0.23 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 2ww3 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ww3 n GLY 323 N -0.03 0.53 3.80 7.41 0.00 0.17 -5.00 105.19 112.07 2ww3 n GLY 323 Ca 0.20 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.25 3.07 0.15 1.61 -1.52 -1.26 -4.79 119.66 112.68 2ww3 s GLN 324 Ca 0.00 -0.52 -0.30 0.00 -1.95 0.00 0.00 55.36 52.58 2ww3 s GLN 324 Cb 0.00 -2.85 -0.08 0.00 -0.22 0.00 0.00 33.01 29.86 2ww3 s GLN 324 CO 0.00 0.63 1.28 -1.25 -0.25 0.00 0.00 175.29 175.69 2ww3 s PRO 325 N -1.96 4.41 0.23 2.91 0.04 -1.26 -0.95 135.00 138.42 2ww3 s PRO 325 Ca 0.26 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2ww3 s PRO 325 Cb -0.12 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 2ww3 s PRO 325 CO 0.17 -0.25 0.05 0.96 0.04 0.00 0.00 177.00 177.97 2ww3 s ILE 326 N 0.45 0.73 -0.09 0.56 -4.36 -0.19 -0.28 121.20 118.03 2ww3 s ILE 326 Ca 0.58 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.67 2ww3 s ILE 326 Cb -0.34 -2.45 0.07 0.00 1.25 0.00 0.00 42.46 40.99 2ww3 s ILE 326 CO 0.34 -0.19 0.67 -1.38 0.24 0.00 0.00 174.94 174.62 2ww3 s HIS 327 N -3.63 -0.66 0.39 1.37 -3.43 0.40 -0.75 115.29 108.99 2ww3 s HIS 327 Ca 0.32 1.24 -0.27 0.00 -0.80 0.00 0.00 55.06 55.56 2ww3 s HIS 327 Cb 0.07 0.37 -0.09 0.00 -1.43 0.00 0.00 32.58 31.50 2ww3 s HIS 327 CO 0.10 -0.56 1.34 -0.47 -2.00 0.00 0.00 174.74 173.16 2ww3 s TYR 328 N -0.90 2.79 -0.34 0.38 5.04 -1.26 -1.20 117.35 121.86 2ww3 s TYR 328 Ca -0.09 1.36 -0.17 0.00 -2.44 0.00 0.00 57.07 55.74 2ww3 s TYR 328 Cb -0.01 -3.75 -0.01 0.00 0.35 0.00 0.00 41.96 38.54 2ww3 s TYR 328 CO 0.08 -2.27 0.44 0.45 -1.34 0.00 0.00 175.55 172.91 2ww3 s SER 329 N -0.59 6.26 0.00 4.32 0.15 0.44 -4.90 113.70 119.38 2ww3 s SER 329 Ca 0.55 -0.07 0.18 0.00 0.70 0.00 0.00 55.95 57.32 2ww3 s SER 329 Cb -0.40 -2.23 1.08 0.00 -1.71 0.00 0.00 66.02 62.76 2ww3 s SER 329 CO 0.52 -0.39 1.50 -0.81 1.20 0.00 0.00 173.24 175.26 2ww3 n PRO 330 N 5.55 0.64 -0.11 5.44 -0.04 -1.26 -1.13 135.00 144.10 2ww3 n PRO 330 Ca -0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.20 2ww3 n PRO 330 Cb 0.49 -1.44 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 2ww3 n PRO 330 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ww3 n TYR 331 N -0.94 0.11 0.24 0.54 4.01 -1.26 -4.09 117.16 115.77 2ww3 n TYR 331 Ca 0.14 0.05 0.03 0.00 -0.16 0.00 0.00 57.90 57.95 2ww3 n TYR 331 Cb 0.06 -0.79 0.01 0.00 -0.31 0.00 0.00 39.34 38.32 2ww3 n TYR 331 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2ww3 n ASN 332 N -4.36 1.23 0.00 7.72 0.23 -1.25 -4.82 115.26 114.01 2ww3 n ASN 332 Ca -0.34 -1.12 0.00 0.00 -0.53 0.00 0.00 54.58 52.59 2ww3 n ASN 332 Cb 0.70 0.20 0.00 0.00 -2.08 0.00 0.00 39.78 38.60 2ww3 n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww3 n GLY 333 N 0.49 0.55 3.94 4.83 0.00 -0.28 -5.02 105.19 109.71 2ww3 n GLY 333 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.01 3.43 -0.12 1.61 -0.21 -1.26 -4.73 119.66 118.37 2ww3 s GLN 334 Ca 0.00 -0.37 -0.18 0.00 0.02 0.00 0.00 55.36 54.83 2ww3 s GLN 334 Cb 0.00 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 2ww3 s GLN 334 CO 0.00 0.10 0.45 0.08 -2.12 0.00 0.00 175.29 173.80 2ww3 s VAL 335 N -2.34 5.20 0.06 1.09 1.01 -1.26 -0.42 120.40 123.74 2ww3 s VAL 335 Ca 0.41 0.90 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 2ww3 s VAL 335 Cb -0.10 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2ww3 s VAL 335 CO 0.36 0.34 0.04 -0.76 0.00 0.00 0.00 175.10 175.09 2ww3 s LEU 336 N 0.55 2.12 0.61 3.92 1.43 -0.34 -4.95 118.68 122.02 2ww3 s LEU 336 Ca 0.25 -0.83 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 2ww3 s LEU 336 Cb -0.15 0.46 -0.03 0.00 0.03 0.00 0.00 46.19 46.50 2ww3 s LEU 336 CO 0.10 -0.61 1.06 -2.16 0.23 0.00 0.00 176.35 174.96 2ww3 s PRO 337 N -3.64 3.26 0.00 1.29 0.04 -1.26 -0.45 135.00 134.23 2ww3 s PRO 337 Ca 0.04 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2ww3 s PRO 337 Cb 0.05 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2ww3 s PRO 337 CO -0.09 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2ww3 n GLY 338 N -1.15 1.01 3.77 0.56 0.00 0.62 -4.81 105.19 105.19 2ww3 n GLY 338 Ca 0.08 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 2ww3 n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ww3 s TYR 339 N -1.76 2.64 -0.28 1.61 2.02 -1.26 -4.15 117.35 116.17 2ww3 s TYR 339 Ca 0.00 1.55 -0.20 0.00 -0.37 0.00 0.00 57.07 58.05 2ww3 s TYR 339 Cb 0.00 -3.18 0.08 0.00 -0.40 0.00 0.00 41.96 38.46 2ww3 s TYR 339 CO 0.00 -1.66 0.72 1.41 -1.57 0.00 0.00 175.55 174.45 2ww3 s MET 340 N -3.97 0.74 0.14 -0.62 -2.45 -1.26 -4.22 119.30 107.66 2ww3 s MET 340 Ca 0.68 1.10 0.04 0.00 -1.25 0.00 0.00 55.69 56.26 2ww3 s MET 340 Cb -0.21 0.25 -0.04 0.00 1.25 0.00 0.00 34.83 36.07 2ww3 s MET 340 CO 0.39 -0.12 -0.10 -0.06 1.05 0.00 0.00 175.02 176.18 2ww3 s PHE 341 N 1.09 1.24 0.09 4.11 0.40 -1.26 -0.01 117.98 123.64 2ww3 s PHE 341 Ca -0.06 -0.76 -0.04 0.00 -0.60 0.00 0.00 56.93 55.47 2ww3 s PHE 341 Cb -0.05 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 42.86 2ww3 s PHE 341 CO -0.11 0.07 0.22 -2.37 0.70 0.00 0.00 175.22 173.73 2ww3 n THR 342 N -0.15 0.00 -2.66 0.64 5.66 -0.99 -4.88 114.28 111.90 2ww3 n THR 342 Ca -0.11 -0.24 -0.09 0.00 -3.05 0.00 0.00 64.05 60.56 2ww3 n THR 342 Cb 0.60 0.25 0.04 0.00 -1.55 0.00 0.00 70.33 69.68 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 -1.07 -2.96 -3.73 1.09 8.00 -0.06 -0.59 116.55 117.23 2ww3 n ASP 343 Ca -0.02 -0.36 -0.14 0.00 0.71 0.00 0.00 54.79 54.99 2ww3 n ASP 343 Cb 0.16 -3.04 -0.09 0.00 -0.02 0.00 0.00 41.12 38.13 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 -3.20 0.04 -0.23 -3.53 -1.32 -1.17 -4.45 115.64 101.78 2ww3 s THR 344 Ca 0.09 -0.32 -0.04 0.00 -1.21 0.00 0.00 61.69 60.21 2ww3 s THR 344 Cb -0.01 -0.64 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 2ww3 s THR 344 CO 0.40 -0.18 -0.02 -0.83 -2.21 0.00 0.00 174.62 171.78 2ww3 s GLY 345 N -0.98 1.64 0.53 6.08 0.00 -1.26 -2.72 107.32 110.60 2ww3 s GLY 345 Ca -0.10 -1.20 0.23 0.00 0.00 0.00 0.00 44.72 43.65 2ww3 s GLY 345 CO 0.04 0.46 2.13 0.74 0.00 0.00 0.00 173.10 176.47 2ww3 h PHE 346 N 8.13 0.00 -0.72 1.90 0.04 -1.26 -0.59 116.94 124.45 2ww3 h PHE 346 Ca -0.40 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.53 2ww3 h PHE 346 Cb 1.16 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.26 2ww3 h PHE 346 CO 0.60 0.07 0.49 2.35 -0.60 0.00 0.00 178.31 181.22 2ww3 h TRP 347 N 0.00 0.33 0.00 -0.55 7.01 -1.83 -1.69 115.95 119.22 2ww3 h TRP 347 Ca -0.00 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 2ww3 h TRP 347 Cb 0.16 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2ww3 h TRP 347 CO 0.00 0.12 -0.37 -0.44 -2.79 0.00 0.00 178.44 174.96 2ww3 h ASP 348 N 0.27 0.00 0.59 2.65 3.45 -1.50 -3.44 116.42 118.45 2ww3 h ASP 348 Ca 0.35 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.64 2ww3 h ASP 348 Cb 0.99 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 2ww3 h ASP 348 CO -0.08 0.79 -0.22 0.35 -1.57 0.00 0.00 179.24 178.50 2ww3 n THR 349 N -4.65 0.00 0.26 0.35 -2.24 -0.81 -3.36 114.28 103.83 2ww3 n THR 349 Ca -0.08 -0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 2ww3 n THR 349 Cb 0.25 -0.07 0.71 0.00 -2.10 0.00 0.00 70.33 69.12 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 0.24 0.00 -0.03 4.78 -0.00 -1.58 -1.88 116.94 118.47 2ww3 h PHE 350 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 2ww3 h PHE 350 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.41 2ww3 h PHE 350 CO 0.00 0.12 -0.03 0.00 -0.00 0.00 0.00 178.31 178.40 2ww3 h ARG 351 N 0.00 0.08 0.00 6.09 3.08 -1.81 -3.43 114.38 118.40 2ww3 h ARG 351 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2ww3 h ARG 351 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2ww3 h ARG 351 CO 0.02 0.52 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 2ww3 h LEU 353 N 0.00 -0.30 -0.66 0.00 7.12 -1.82 0.42 115.31 120.07 2ww3 h LEU 353 Ca 0.00 -0.07 -0.14 0.00 0.13 0.00 0.00 57.88 57.80 2ww3 h LEU 353 Cb 0.00 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 2ww3 h LEU 353 CO 0.00 -0.12 -0.62 -0.26 -0.13 0.00 0.00 178.44 177.31 2ww3 h PHE 354 N -0.46 0.23 -0.73 1.25 0.04 -1.62 -2.25 116.94 113.40 2ww3 h PHE 354 Ca -0.04 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.68 2ww3 h PHE 354 Cb 0.35 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 2ww3 h PHE 354 CO -0.03 0.75 0.45 -1.35 -0.60 0.00 0.00 178.31 177.53 2ww3 h PRO 355 N 0.13 0.83 -0.37 1.51 0.11 -1.77 -0.95 132.00 131.50 2ww3 h PRO 355 Ca -0.01 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 66.13 2ww3 h PRO 355 Cb 1.13 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 31.97 2ww3 h PRO 355 CO 0.09 0.55 -0.21 1.25 -0.21 0.00 0.00 178.00 179.48 2ww3 h LEU 356 N 0.86 -0.69 -0.69 2.35 5.85 0.43 -0.60 115.31 122.81 2ww3 h LEU 356 Ca 0.30 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.23 2ww3 h LEU 356 Cb 0.07 0.36 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2ww3 h LEU 356 CO -0.13 -0.24 0.39 -0.07 -0.34 0.00 0.00 178.44 178.05 2ww3 h LEU 357 N -0.15 0.58 -1.74 2.25 3.38 -1.11 0.30 115.31 118.83 2ww3 h LEU 357 Ca 0.18 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2ww3 h LEU 357 Cb 0.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ww3 h LEU 357 CO -0.46 0.38 -0.12 0.78 0.09 0.00 0.00 178.44 179.11 2ww3 h ASN 358 N 0.72 0.01 0.06 -0.43 -0.26 -0.15 0.47 115.58 116.00 2ww3 h ASN 358 Ca 0.31 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.96 2ww3 h ASN 358 Cb 0.19 -0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.45 2ww3 h ASN 358 CO -0.18 0.14 -0.37 0.25 -1.06 0.00 0.00 177.43 176.21 2ww3 h LEU 359 N 0.02 0.22 0.00 1.61 5.85 -0.26 -3.39 115.31 119.35 2ww3 h LEU 359 Ca 0.00 -0.96 0.00 0.00 0.84 0.00 0.00 57.88 57.76 2ww3 h LEU 359 Cb 0.22 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2ww3 h LEU 359 CO 0.02 1.16 -0.73 0.23 -0.34 0.00 0.00 178.44 178.78 2ww3 n MET 360 N -4.40 2.92 -2.79 1.25 2.81 0.01 -4.71 117.12 112.22 2ww3 n MET 360 Ca -0.12 -0.03 -0.02 0.00 -1.81 0.00 0.00 57.70 55.72 2ww3 n MET 360 Cb 0.63 -1.00 0.05 0.00 -0.71 0.00 0.00 33.22 32.19 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 -1.40 1.02 -0.16 2.03 4.01 0.14 -4.64 117.16 118.16 2ww3 n TYR 361 Ca 0.01 -2.27 0.18 0.00 -0.16 0.00 0.00 57.90 55.65 2ww3 n TYR 361 Cb 0.16 -0.16 0.54 0.00 -0.31 0.00 0.00 39.34 39.58 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 2.62 0.33 0.00 -0.72 0.13 -1.10 0.21 132.00 133.47 2ww3 h PRO 362 Ca -0.15 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.90 2ww3 h PRO 362 Cb 1.25 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2ww3 h PRO 362 CO 0.24 0.22 -0.30 0.66 -0.23 0.00 0.00 178.00 178.58 2ww3 h SER 363 N 0.34 0.00 -0.08 1.44 4.64 -1.92 -1.32 113.55 116.65 2ww3 h SER 363 Ca 0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.57 2ww3 h SER 363 Cb 1.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2ww3 h SER 363 CO -0.11 0.30 -0.48 0.58 -0.87 0.00 0.00 176.83 176.25 2ww3 h VAL 364 N 0.00 1.39 -0.35 0.95 2.07 -1.32 -3.15 116.25 115.84 2ww3 h VAL 364 Ca -0.00 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.66 2ww3 h VAL 364 Cb 0.54 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 2ww3 h VAL 364 CO 0.04 0.55 0.16 -1.13 0.02 0.00 0.00 177.57 177.20 2ww3 h ASN 365 N 0.03 0.43 -0.10 0.57 -1.24 -1.15 -1.88 115.58 112.23 2ww3 h ASN 365 Ca -0.04 -0.03 0.03 0.00 0.71 0.00 0.00 56.30 56.97 2ww3 h ASN 365 Cb 1.13 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 40.01 2ww3 h ASN 365 CO 0.10 0.38 -0.49 0.50 -1.29 0.00 0.00 177.43 176.62 2ww3 h LYS 366 N 0.48 -0.55 -0.95 6.67 1.63 -1.24 1.12 116.57 123.74 2ww3 h LYS 366 Ca 0.12 0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.12 2ww3 h LYS 366 Cb 0.07 0.12 -0.10 0.00 -0.60 0.00 0.00 32.23 31.73 2ww3 h LYS 366 CO -0.02 -0.37 0.56 0.93 -3.45 0.00 0.00 179.45 177.11 2ww3 h GLU 367 N -0.57 0.76 -0.38 1.90 5.08 -1.32 -0.72 114.58 119.32 2ww3 h GLU 367 Ca 0.05 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2ww3 h GLU 367 Cb 0.67 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2ww3 h GLU 367 CO -0.41 0.50 -0.27 0.52 -1.00 0.00 0.00 179.01 178.35 2ww3 h MET 368 N 0.78 0.85 -0.06 2.33 2.86 -0.27 -1.68 114.93 119.72 2ww3 h MET 368 Ca 0.52 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2ww3 h MET 368 Cb 0.71 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 2ww3 h MET 368 CO -0.34 1.05 0.03 1.96 1.06 0.00 0.00 176.91 180.67 2ww3 h GLN 369 N 0.65 0.09 -1.00 1.72 1.08 0.20 -0.53 115.11 117.32 2ww3 h GLN 369 Ca 0.07 -0.01 0.23 0.00 -1.45 0.00 0.00 58.65 57.49 2ww3 h GLN 369 Cb 0.84 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 28.16 2ww3 h GLN 369 CO 0.07 0.16 0.63 0.93 -0.95 0.00 0.00 178.83 179.67 2ww3 h GLU 370 N 0.00 0.54 -0.25 1.46 4.39 -1.05 -0.08 114.58 119.59 2ww3 h GLU 370 Ca 0.02 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 2ww3 h GLU 370 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2ww3 h GLU 370 CO -0.00 0.36 -0.31 0.78 -1.16 0.00 0.00 179.01 178.67 2ww3 h GLY 371 N 0.55 0.56 1.12 -3.84 0.00 -0.25 -2.34 103.07 98.87 2ww3 h GLY 371 Ca 0.58 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 2ww3 h GLY 371 CO -0.34 0.45 0.25 1.41 0.00 0.00 0.00 176.54 178.31 2ww3 h LEU 372 N 0.44 1.03 -1.02 3.11 3.38 0.47 -1.58 115.31 121.14 2ww3 h LEU 372 Ca 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2ww3 h LEU 372 Cb 0.76 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2ww3 h LEU 372 CO 0.06 0.95 0.58 0.40 0.09 0.00 0.00 178.44 180.52 2ww3 h ILE 373 N 1.07 1.25 -0.07 1.22 1.08 -0.85 -0.42 117.51 120.80 2ww3 h ILE 373 Ca 0.24 -0.51 -0.10 0.00 -0.39 0.00 0.00 64.86 64.10 2ww3 h ILE 373 Cb 0.27 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.91 2ww3 h ILE 373 CO -0.01 0.25 -0.41 0.78 -0.69 0.00 0.00 178.15 178.07 2ww3 h ASN 374 N 1.28 0.15 -0.41 1.72 -0.26 -1.19 -1.51 115.58 115.36 2ww3 h ASN 374 Ca 0.34 -0.06 -0.05 0.00 -0.56 0.00 0.00 56.30 55.97 2ww3 h ASN 374 Cb -0.09 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 2ww3 h ASN 374 CO -0.07 0.55 0.06 0.74 -1.06 0.00 0.00 177.43 177.65 2ww3 h THR 375 N 0.12 1.24 0.59 2.81 2.02 -0.22 0.03 112.91 119.50 2ww3 h THR 375 Ca 0.01 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.27 2ww3 h THR 375 Cb 0.78 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2ww3 h THR 375 CO 0.06 0.31 -0.30 0.22 0.37 0.00 0.00 175.52 176.17 2ww3 h TYR 376 N 0.54 -0.79 -0.77 3.16 3.20 -0.86 0.29 116.97 121.73 2ww3 h TYR 376 Ca 0.12 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.05 2ww3 h TYR 376 Cb 0.38 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 2ww3 h TYR 376 CO 0.03 -0.48 0.50 -0.07 -1.64 0.00 0.00 178.16 176.50 2ww3 h LEU 377 N -0.82 0.71 0.00 2.82 3.38 -1.22 1.47 115.31 121.65 2ww3 h LEU 377 Ca -0.08 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.69 2ww3 h LEU 377 Cb 0.64 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2ww3 h LEU 377 CO 0.12 0.45 -1.35 -0.33 0.09 0.00 0.00 178.44 177.41 2ww3 h GLU 378 N 0.80 0.00 0.00 1.13 5.08 -0.91 -3.39 114.58 117.28 2ww3 h GLU 378 Ca 0.33 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 2ww3 h GLU 378 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ww3 h GLU 378 CO -0.12 0.49 -1.29 -1.13 -1.00 0.00 0.00 179.01 175.96 2ww3 n SER 379 N -3.05 3.70 0.00 1.42 3.41 0.08 -4.31 113.62 114.87 2ww3 n SER 379 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2ww3 n SER 379 Cb 0.92 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 2ww3 n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww3 n GLY 380 N 2.33 1.64 3.09 5.00 0.00 0.50 -5.03 105.19 112.73 2ww3 n GLY 380 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.36 0.81 0.41 1.61 0.40 -1.24 -4.95 117.98 112.67 2ww3 s PHE 381 Ca 0.00 -0.50 -0.25 0.00 -0.60 0.00 0.00 56.93 55.58 2ww3 s PHE 381 Cb 0.00 -0.48 -0.08 0.00 0.51 0.00 0.00 43.02 42.97 2ww3 s PHE 381 CO 0.00 -0.05 1.17 -0.06 0.70 0.00 0.00 175.22 176.98 2ww3 s PHE 382 N -1.44 3.05 0.81 0.36 0.08 -1.26 -3.34 117.98 116.24 2ww3 s PHE 382 Ca -0.07 1.55 -0.11 0.00 0.12 0.00 0.00 56.93 58.42 2ww3 s PHE 382 Cb -0.09 -3.39 0.08 0.00 -0.57 0.00 0.00 43.02 39.05 2ww3 s PHE 382 CO 0.01 -1.32 1.09 -1.25 -0.10 0.00 0.00 175.22 173.64 2ww3 s PRO 383 N -2.34 2.00 0.10 0.24 0.04 -1.26 -4.49 135.00 129.28 2ww3 s PRO 383 Ca 0.58 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 2ww3 s PRO 383 Cb -0.30 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 2ww3 s PRO 383 CO 0.38 -1.77 -0.00 0.39 0.04 0.00 0.00 177.00 176.03 2ww3 n GLU 384 N -3.59 0.01 -4.55 4.56 -0.58 -1.26 -4.51 120.64 110.72 2ww3 n GLU 384 Ca 0.08 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.49 2ww3 n GLU 384 Cb 0.54 -0.51 -0.15 0.00 -0.57 0.00 0.00 31.44 30.75 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 -2.00 2.81 -0.06 -0.32 -0.00 -1.26 -0.66 118.94 117.45 2ww3 s TRP 385 Ca -0.00 -0.88 0.01 0.00 -0.00 0.00 0.00 56.10 55.23 2ww3 s TRP 385 Cb 0.00 -1.90 0.02 0.00 -0.00 0.00 0.00 33.47 31.59 2ww3 s TRP 385 CO 0.01 -0.38 -0.08 0.00 -0.00 0.00 0.00 176.95 176.49 2ww3 s ALA 386 N 0.72 1.00 -0.42 5.86 0.00 -1.10 -1.42 121.76 126.40 2ww3 s ALA 386 Ca -0.06 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.66 2ww3 s ALA 386 Cb -0.15 -0.56 0.19 0.00 0.00 0.00 0.00 23.12 22.60 2ww3 s ALA 386 CO 0.02 -0.04 0.80 0.45 0.00 0.00 0.00 175.76 176.99 2ww3 s SER 387 N 0.97 -1.12 0.04 0.00 0.15 -1.26 -0.88 113.70 111.59 2ww3 s SER 387 Ca -0.10 -0.88 0.22 0.00 0.70 0.00 0.00 55.95 55.89 2ww3 s SER 387 Cb -0.15 1.45 -0.16 0.00 -1.71 0.00 0.00 66.02 65.46 2ww3 s SER 387 CO 0.00 -0.09 0.78 -0.81 1.20 0.00 0.00 173.24 174.33 2ww3 n PRO 388 N 3.62 0.47 -1.99 5.44 -0.04 -1.25 -4.63 135.00 136.61 2ww3 n PRO 388 Ca 0.12 -0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 2ww3 n PRO 388 Cb 0.59 -1.59 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 2ww3 n PRO 388 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww3 n GLY 389 N 1.30 0.88 3.68 0.55 0.00 0.39 -4.75 105.19 107.24 2ww3 n GLY 389 Ca -0.01 -2.04 -0.45 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.30 2.36 -4.68 1.61 8.25 -1.26 -4.40 115.22 114.80 2ww3 n HIS 390 Ca 0.11 0.29 -0.24 0.00 -0.26 0.00 0.00 57.72 57.62 2ww3 n HIS 390 Cb 0.40 -2.54 -0.15 0.00 1.12 0.00 0.00 29.99 28.82 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 0.41 1.28 -0.66 -0.41 1.81 -0.50 -4.32 118.95 116.55 2ww3 s ARG 391 Ca 0.74 -0.69 -0.26 0.00 -1.72 0.00 0.00 55.73 53.80 2ww3 s ARG 391 Cb -0.63 -1.28 0.04 0.00 -0.45 0.00 0.00 34.95 32.63 2ww3 s ARG 391 CO 0.42 0.34 1.13 0.20 -0.68 0.00 0.00 175.30 176.71 2ww3 s GLY 392 N -0.67 1.13 -0.28 -3.53 0.00 -1.26 -4.42 107.32 98.29 2ww3 s GLY 392 Ca 0.06 -1.37 -0.21 0.00 0.00 0.00 0.00 44.72 43.19 2ww3 s GLY 392 CO 0.00 2.38 0.83 0.00 0.00 0.00 0.00 173.10 176.32 2ww3 n MET 394 N 3.16 0.00 -3.66 0.00 2.81 -1.26 -4.64 117.12 113.53 2ww3 n MET 394 Ca -0.16 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.61 2ww3 n MET 394 Cb 0.57 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 33.06 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 -4.73 118.33 114.61 2ww3 n VAL 395 Ca 0.00 -1.41 0.00 0.00 -2.04 0.00 0.00 64.34 60.89 2ww3 n VAL 395 Cb 0.00 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.51 0.93 2.36 7.63 0.00 -1.26 -4.65 105.19 109.69 2ww3 n GLY 396 Ca -0.02 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 2ww3 n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ww3 n ASN 397 N -0.39 5.70 0.12 1.61 4.05 -1.26 -4.87 115.26 120.22 2ww3 n ASN 397 Ca 0.00 -3.76 0.12 0.00 0.45 0.00 0.00 54.58 51.39 2ww3 n ASN 397 Cb 0.00 -0.60 0.47 0.00 1.23 0.00 0.00 39.78 40.89 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 -0.64 0.62 -0.35 1.20 4.13 -1.26 -1.70 115.26 117.27 2ww3 n ASN 398 Ca 0.47 0.64 0.24 0.00 1.68 0.00 0.00 54.58 57.61 2ww3 n ASN 398 Cb 0.70 -0.78 0.49 0.00 -1.54 0.00 0.00 39.78 38.65 2ww3 n ASN 398 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ww3 h SER 399 N 0.00 0.50 -0.83 6.41 4.64 -1.90 0.17 113.55 122.53 2ww3 h SER 399 Ca 0.00 0.14 0.08 0.00 -0.47 0.00 0.00 61.79 61.54 2ww3 h SER 399 Cb 0.39 0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.49 2ww3 h SER 399 CO 0.00 -0.02 0.54 0.00 -0.87 0.00 0.00 176.83 176.49 2ww3 h ALA 400 N 1.72 1.66 -0.41 5.18 0.00 -1.69 -0.38 119.26 125.32 2ww3 h ALA 400 Ca 0.68 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.45 2ww3 h ALA 400 Cb 1.64 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2ww3 h ALA 400 CO -0.45 0.19 -0.24 1.03 0.00 0.00 0.00 179.25 179.78 2ww3 h SER 401 N 0.85 0.92 0.28 0.00 0.87 -0.88 -2.15 113.55 113.44 2ww3 h SER 401 Ca 0.37 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2ww3 h SER 401 Cb 0.34 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2ww3 h SER 401 CO -0.14 1.14 -0.14 0.40 -0.53 0.00 0.00 176.83 177.56 2ww3 h ILE 402 N 0.71 0.74 -0.44 2.23 1.08 -0.95 -1.14 117.51 119.74 2ww3 h ILE 402 Ca 0.09 -0.12 0.03 0.00 -0.39 0.00 0.00 64.86 64.47 2ww3 h ILE 402 Cb 0.81 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 35.33 2ww3 h ILE 402 CO 0.07 0.03 0.22 -0.07 -0.69 0.00 0.00 178.15 177.71 2ww3 h LEU 403 N -0.44 0.33 -0.01 1.44 3.38 -1.10 -1.95 115.31 116.95 2ww3 h LEU 403 Ca -0.04 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2ww3 h LEU 403 Cb 0.34 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.06 2ww3 h LEU 403 CO 0.06 0.24 -0.84 0.58 0.09 0.00 0.00 178.44 178.58 2ww3 h VAL 404 N 0.45 1.34 -0.99 1.22 2.07 -1.41 -2.04 116.25 116.90 2ww3 h VAL 404 Ca 0.19 -2.15 0.03 0.00 0.82 0.00 0.00 66.70 65.58 2ww3 h VAL 404 Cb 0.08 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 2ww3 h VAL 404 CO -0.13 0.65 0.65 -0.78 0.02 0.00 0.00 177.57 177.99 2ww3 h ASP 405 N 0.19 1.10 -0.06 0.57 3.58 -1.14 0.38 116.42 121.03 2ww3 h ASP 405 Ca -0.10 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2ww3 h ASP 405 Cb 1.51 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 2ww3 h ASP 405 CO 0.16 0.77 0.00 0.00 -2.88 0.00 0.00 179.24 177.30 2ww3 h ALA 406 N 1.41 0.08 0.15 -0.78 0.00 -1.38 -1.80 119.26 116.94 2ww3 h ALA 406 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2ww3 h ALA 406 Cb -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ww3 h ALA 406 CO -0.11 -0.25 -0.15 -0.92 0.00 0.00 0.00 179.25 177.82 2ww3 h TYR 407 N -0.18 -0.38 -0.10 0.00 5.03 -0.89 0.13 116.97 120.57 2ww3 h TYR 407 Ca 0.02 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.36 2ww3 h TYR 407 Cb 0.33 0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.75 2ww3 h TYR 407 CO 0.03 -0.23 0.08 0.52 -1.32 0.00 0.00 178.16 177.24 2ww3 h MET 408 N -0.32 0.00 -0.71 1.82 2.86 -0.26 -1.11 114.93 117.21 2ww3 h MET 408 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2ww3 h MET 408 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2ww3 h MET 408 CO -0.04 0.00 0.03 1.63 1.06 0.00 0.00 176.91 179.60 2ww3 n LYS 409 N -4.32 3.80 -0.65 1.72 5.02 -0.68 -4.89 118.16 118.17 2ww3 n LYS 409 Ca -0.01 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 2ww3 n LYS 409 Cb 0.19 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 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 0.39 0.78 3.43 0.72 0.00 -0.42 -4.96 105.19 105.13 2ww3 n GLY 410 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 2ww3 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww3 s VAL 411 N -2.92 5.04 -0.30 1.61 1.01 0.41 -4.99 120.40 120.26 2ww3 s VAL 411 Ca 0.00 -2.24 -0.11 0.00 0.00 0.00 0.00 61.98 59.63 2ww3 s VAL 411 Cb 0.00 -4.79 -0.03 0.00 0.00 0.00 0.00 36.38 31.56 2ww3 s VAL 411 CO 0.00 -1.48 0.20 -0.54 0.00 0.00 0.00 175.10 173.28 2ww3 s LYS 412 N 1.67 3.72 0.75 2.72 1.02 -1.26 -3.01 119.74 125.36 2ww3 s LYS 412 Ca 0.35 -0.48 -0.13 0.00 0.02 0.00 0.00 55.97 55.73 2ww3 s LYS 412 Cb -0.05 -3.69 0.05 0.00 -0.52 0.00 0.00 37.83 33.62 2ww3 s LYS 412 CO -0.06 -0.29 1.15 0.14 -0.92 0.00 0.00 175.35 175.37 2ww3 s VAL 413 N 1.73 2.70 0.02 3.17 -7.23 -1.26 -4.97 120.40 114.56 2ww3 s VAL 413 Ca 0.06 0.30 -0.16 0.00 -1.81 0.00 0.00 61.98 60.37 2ww3 s VAL 413 Cb -0.17 -2.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.93 2ww3 s VAL 413 CO 0.10 -0.23 1.05 0.44 -0.31 0.00 0.00 175.10 176.15 2ww3 h ASP 414 N -0.59 -0.50 -1.28 4.85 3.32 -1.98 -3.39 116.42 116.84 2ww3 h ASP 414 Ca -0.46 0.02 -0.67 0.00 0.02 0.00 0.00 57.03 55.94 2ww3 h ASP 414 Cb 1.27 0.13 -0.11 0.00 0.22 0.00 0.00 39.33 40.84 2ww3 h ASP 414 CO 0.50 -0.31 1.73 -0.62 -1.72 0.00 0.00 179.24 178.83 2ww3 s ASP 415 N -3.33 6.75 0.10 6.45 2.15 -1.26 -4.83 116.67 122.70 2ww3 s ASP 415 Ca -0.09 -2.19 -0.06 0.00 0.43 0.00 0.00 52.55 50.64 2ww3 s ASP 415 Cb 0.01 -2.53 -0.20 0.00 -0.30 0.00 0.00 42.92 39.90 2ww3 s ASP 415 CO 0.26 -1.20 1.21 -0.29 -0.17 0.00 0.00 175.17 174.98 2ww3 h ILE 416 N 5.83 1.42 -0.84 4.11 2.10 -2.00 -3.08 117.51 125.05 2ww3 h ILE 416 Ca 0.33 -2.69 0.16 0.00 1.08 0.00 0.00 64.86 63.74 2ww3 h ILE 416 Cb 0.93 2.67 -0.16 0.00 -1.09 0.00 0.00 36.82 39.17 2ww3 h ILE 416 CO 1.38 0.80 -0.24 0.11 -1.08 0.00 0.00 178.15 179.12 2ww3 h LYS 417 N 0.17 -0.01 -0.24 2.19 1.79 -1.97 0.32 116.57 118.82 2ww3 h LYS 417 Ca -0.12 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.28 2ww3 h LYS 417 Cb 1.79 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.43 2ww3 h LYS 417 CO 0.19 -0.01 -0.14 1.15 -1.08 0.00 0.00 179.45 179.57 2ww3 h THR 418 N -0.01 1.22 0.02 -0.16 2.02 -1.97 -1.51 112.91 112.51 2ww3 h THR 418 Ca 0.39 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2ww3 h THR 418 Cb 0.61 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2ww3 h THR 418 CO -0.87 0.31 -0.01 0.25 0.37 0.00 0.00 175.52 175.57 2ww3 h LEU 419 N 0.37 -0.02 0.13 2.58 5.85 -0.35 -0.78 115.31 123.09 2ww3 h LEU 419 Ca 0.07 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2ww3 h LEU 419 Cb 0.47 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2ww3 h LEU 419 CO 0.03 0.05 -0.06 0.22 -0.34 0.00 0.00 178.44 178.34 2ww3 h TYR 420 N -0.09 -0.17 -0.62 1.25 3.20 -0.87 -2.05 116.97 117.62 2ww3 h TYR 420 Ca -0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.96 2ww3 h TYR 420 Cb 0.08 0.05 -0.11 0.00 1.54 0.00 0.00 36.73 38.29 2ww3 h TYR 420 CO -0.06 0.09 -0.41 0.93 -1.64 0.00 0.00 178.16 177.08 2ww3 h GLU 421 N -0.41 -0.18 -0.62 1.82 5.08 -1.27 -0.93 114.58 118.06 2ww3 h GLU 421 Ca -0.02 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 2ww3 h GLU 421 Cb 0.33 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 2ww3 h GLU 421 CO 0.03 -0.12 0.04 0.78 -1.00 0.00 0.00 179.01 178.74 2ww3 h GLY 422 N -0.19 0.71 0.50 -3.84 0.00 -0.96 0.47 103.07 99.76 2ww3 h GLY 422 Ca 0.21 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.64 2ww3 h GLY 422 CO -0.72 -0.19 -0.07 1.41 0.00 0.00 0.00 176.54 176.98 2ww3 h LEU 423 N 0.15 -0.26 -0.70 3.11 3.38 -0.48 -1.80 115.31 118.72 2ww3 h LEU 423 Ca 0.33 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2ww3 h LEU 423 Cb 0.53 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2ww3 h LEU 423 CO -0.50 -0.09 0.46 0.40 0.09 0.00 0.00 178.44 178.79 2ww3 h ILE 424 N -0.02 1.19 -0.79 1.22 1.08 -0.07 -2.22 117.51 117.90 2ww3 h ILE 424 Ca 0.12 -0.35 0.12 0.00 -0.39 0.00 0.00 64.86 64.35 2ww3 h ILE 424 Cb 0.20 0.16 -0.06 0.00 -3.07 0.00 0.00 36.82 34.05 2ww3 h ILE 424 CO -0.25 0.18 0.52 -0.74 -0.69 0.00 0.00 178.15 177.16 2ww3 h HIS 425 N 0.95 0.70 0.00 1.37 2.76 -0.28 -0.85 115.15 119.81 2ww3 h HIS 425 Ca 0.26 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.37 2ww3 h HIS 425 Cb -0.10 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.63 2ww3 h HIS 425 CO -0.02 0.30 -0.37 0.78 -1.30 0.00 0.00 177.93 177.33 2ww3 h GLY 426 N 0.63 0.00 1.37 5.26 0.00 -0.72 -2.69 103.07 106.92 2ww3 h GLY 426 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2ww3 h GLY 426 CO -0.14 0.00 -0.09 -1.30 0.00 0.00 0.00 176.54 175.01 2ww3 n THR 427 N -3.72 0.00 -2.31 4.70 -2.24 -0.33 -3.34 114.28 107.04 2ww3 n THR 427 Ca -0.01 -0.02 0.02 0.00 -2.27 0.00 0.00 64.05 61.77 2ww3 n THR 427 Cb 0.46 -0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.41 2ww3 n THR 427 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2ww3 n GLU 428 N -1.23 0.00 -3.95 -0.78 0.28 -1.16 -4.92 120.64 108.88 2ww3 n GLU 428 Ca 0.12 -1.62 -0.09 0.00 -0.16 0.00 0.00 57.16 55.41 2ww3 n GLU 428 Cb 0.28 -0.18 -0.07 0.00 1.43 0.00 0.00 31.44 32.91 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 -1.62 0.08 -0.00 -1.84 0.01 -1.02 -5.04 114.94 105.51 2ww3 s ASN 429 Ca 0.21 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.52 2ww3 s ASN 429 Cb 0.24 0.40 -0.00 0.00 0.41 0.00 0.00 41.25 42.31 2ww3 s ASN 429 CO -0.11 -0.84 -0.01 0.54 -1.51 0.00 0.00 177.10 175.17 2ww3 s VAL 430 N -3.95 0.09 0.30 1.60 0.11 -1.26 -0.66 120.40 116.62 2ww3 s VAL 430 Ca 0.15 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 2ww3 s VAL 430 Cb 0.04 -0.09 -0.12 0.00 -1.53 0.00 0.00 36.38 34.68 2ww3 s VAL 430 CO -0.02 0.03 1.56 1.57 -3.33 0.00 0.00 175.10 174.90 2ww3 n HIS 431 N 3.07 2.77 0.27 1.54 -0.00 0.85 -4.88 115.22 118.84 2ww3 n HIS 431 Ca -0.12 0.30 0.15 0.00 0.46 0.00 0.00 57.72 58.51 2ww3 n HIS 431 Cb 0.59 -2.57 0.75 0.00 -0.12 0.00 0.00 29.99 28.65 2ww3 n HIS 431 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2ww3 h PRO 432 N 4.49 0.00 0.00 1.57 0.13 -2.00 -3.28 132.00 132.91 2ww3 h PRO 432 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2ww3 h PRO 432 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2ww3 h PRO 432 CO 0.77 0.08 -1.49 0.39 -0.23 0.00 0.00 178.00 177.52 2ww3 n GLU 433 N -3.33 0.86 -3.82 0.86 -0.58 -1.26 -4.90 120.64 108.47 2ww3 n GLU 433 Ca -0.01 -0.07 -0.30 0.00 -0.42 0.00 0.00 57.16 56.36 2ww3 n GLU 433 Cb 0.26 -1.23 -0.15 0.00 -0.57 0.00 0.00 31.44 29.75 2ww3 n GLU 433 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ww3 s VAL 434 N -2.56 1.35 0.46 2.62 1.01 -1.24 -4.96 120.40 117.09 2ww3 s VAL 434 Ca -0.04 -1.77 0.34 0.00 0.00 0.00 0.00 61.98 60.51 2ww3 s VAL 434 Cb 0.05 -2.01 0.37 0.00 0.00 0.00 0.00 36.38 34.79 2ww3 s VAL 434 CO 0.40 -0.67 2.17 0.77 0.00 0.00 0.00 175.10 177.77 2ww3 h SER 435 N 7.86 0.00 0.39 3.32 4.64 -1.91 -1.81 113.55 126.04 2ww3 h SER 435 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 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 0.49 0.05 -0.06 -1.54 -0.87 0.00 0.00 176.83 174.89 2ww3 n SER 436 N -3.41 0.29 -4.50 4.97 3.41 -1.26 -3.96 113.62 109.17 2ww3 n SER 436 Ca -0.02 -0.49 -0.37 0.00 -0.26 0.00 0.00 58.87 57.74 2ww3 n SER 436 Cb 0.18 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.46 4.65 0.00 6.66 2.01 -0.68 -4.62 115.64 121.20 2ww3 s THR 437 Ca 0.31 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.25 2ww3 s THR 437 Cb 0.20 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2ww3 s THR 437 CO 0.46 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 2ww3 n GLY 438 N 4.90 -1.03 2.90 4.40 0.00 -1.26 -0.11 105.19 114.99 2ww3 n GLY 438 Ca -0.15 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 2ww3 n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww3 s ARG 439 N 0.00 1.60 0.25 1.61 0.52 0.16 -4.74 118.95 118.35 2ww3 s ARG 439 Ca 0.00 -2.18 -0.31 0.00 -0.52 0.00 0.00 55.73 52.72 2ww3 s ARG 439 Cb 0.00 -2.96 -0.12 0.00 0.52 0.00 0.00 34.95 32.39 2ww3 s ARG 439 CO 0.00 -1.07 1.65 -1.17 0.02 0.00 0.00 175.30 174.73 2ww3 s LEU 440 N 0.29 4.36 0.00 2.53 2.96 -1.25 -2.13 118.68 125.43 2ww3 s LEU 440 Ca 0.15 2.91 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 2ww3 s LEU 440 Cb -0.23 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.84 2ww3 s LEU 440 CO -0.04 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 174.66 2ww3 n GLY 441 N 3.01 0.62 0.26 7.98 0.00 -1.26 -4.94 105.19 110.87 2ww3 n GLY 441 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 0.47 1.61 -0.00 -1.78 -0.13 116.97 117.14 2ww3 h TYR 442 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2ww3 h TYR 442 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2ww3 h TYR 442 CO 0.00 0.01 -0.23 0.93 -0.00 0.00 0.00 178.16 178.87 2ww3 h GLU 443 N 0.00 -0.61 -0.04 0.10 3.07 -1.92 0.15 114.58 115.33 2ww3 h GLU 443 Ca -0.00 0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2ww3 h GLU 443 Cb 0.02 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2ww3 h GLU 443 CO 0.00 -0.39 0.02 1.88 -1.40 0.00 0.00 179.01 179.11 2ww3 h TYR 444 N -0.66 0.05 -0.80 4.33 0.05 -1.80 -2.63 116.97 115.51 2ww3 h TYR 444 Ca -0.06 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.74 2ww3 h TYR 444 Cb 0.50 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.18 2ww3 h TYR 444 CO -0.04 0.17 0.53 -0.92 -1.05 0.00 0.00 178.16 176.85 2ww3 h TYR 445 N -0.08 0.96 -0.14 4.88 3.20 -0.87 0.37 116.97 125.29 2ww3 h TYR 445 Ca 0.01 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.74 2ww3 h TYR 445 Cb 0.14 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2ww3 h TYR 445 CO -0.03 0.57 -0.61 -0.91 -1.64 0.00 0.00 178.16 175.54 2ww3 h ASN 446 N 1.01 0.54 -0.03 -2.11 -0.26 -0.71 -1.55 115.58 112.48 2ww3 h ASN 446 Ca 0.31 -0.31 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 2ww3 h ASN 446 Cb 0.00 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.11 2ww3 h ASN 446 CO -0.09 1.02 -0.23 0.50 -1.06 0.00 0.00 177.43 177.58 2ww3 h LYS 447 N 0.35 0.20 0.00 0.81 3.64 -0.89 -3.40 116.57 117.28 2ww3 h LYS 447 Ca -0.01 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2ww3 h LYS 447 Cb 1.15 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2ww3 h LYS 447 CO 0.11 0.86 -1.48 1.28 -2.27 0.00 0.00 179.45 177.96 2ww3 n LEU 448 N -4.53 0.21 0.00 5.20 4.77 0.12 -4.98 117.00 117.79 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 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2ww3 n LEU 448 CO 0.39 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2ww3 n GLY 449 N 1.51 0.75 3.59 -0.72 0.00 -0.58 -5.03 105.19 104.71 2ww3 n GLY 449 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.53 -0.31 -0.23 1.61 1.13 -1.24 -4.76 117.35 111.02 2ww3 s TYR 450 Ca 0.00 0.08 -0.16 0.00 -1.41 0.00 0.00 57.07 55.57 2ww3 s TYR 450 Cb 0.00 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 2ww3 s TYR 450 CO 0.00 -0.77 0.43 0.08 -2.51 0.00 0.00 175.55 172.78 2ww3 s VAL 451 N -3.39 5.15 0.63 -3.49 1.01 -1.26 -3.42 120.40 115.63 2ww3 s VAL 451 Ca 0.07 0.74 -0.15 0.00 0.00 0.00 0.00 61.98 62.63 2ww3 s VAL 451 Cb -0.02 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2ww3 s VAL 451 CO -0.05 0.18 1.09 -2.84 0.00 0.00 0.00 175.10 173.48 2ww3 s PRO 452 N 1.75 3.05 0.19 2.72 0.02 -1.26 -4.52 135.00 136.94 2ww3 s PRO 452 Ca 0.19 1.31 0.25 0.00 0.02 0.00 0.00 61.00 62.76 2ww3 s PRO 452 Cb -0.15 -1.99 0.52 0.00 0.02 0.00 0.00 34.50 32.89 2ww3 s PRO 452 CO 0.09 -1.04 1.52 -0.92 -0.33 0.00 0.00 177.00 176.31 2ww3 h TYR 453 N 0.23 0.00 -0.53 6.54 5.03 -1.05 -3.35 116.97 123.84 2ww3 h TYR 453 Ca -0.47 0.00 -0.39 0.00 2.58 0.00 0.00 58.73 60.45 2ww3 h TYR 453 Cb 1.23 0.00 -0.31 0.00 1.55 0.00 0.00 36.73 39.20 2ww3 h TYR 453 CO 0.56 0.00 -0.74 -0.40 -1.32 0.00 0.00 178.16 176.26 2ww3 n ASP 454 N -2.29 3.93 -0.61 -2.11 5.75 -1.26 -4.69 116.55 115.27 2ww3 n ASP 454 Ca 0.04 -3.74 0.06 0.00 -0.01 0.00 0.00 54.79 51.14 2ww3 n ASP 454 Cb 0.45 -0.40 0.13 0.00 -1.03 0.00 0.00 41.12 40.27 2ww3 n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ww3 n VAL 455 N -0.81 1.41 -1.30 2.12 0.24 -1.26 -4.85 118.33 113.87 2ww3 n VAL 455 Ca 0.36 -2.11 -0.10 0.00 -2.04 0.00 0.00 64.34 60.44 2ww3 n VAL 455 Cb 0.89 0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.31 2ww3 n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ww3 n LYS 456 N -0.75 -0.81 -3.89 7.34 4.01 -1.26 -4.96 118.16 117.83 2ww3 n LYS 456 Ca 0.13 0.84 -0.33 0.00 -0.51 0.00 0.00 58.31 58.44 2ww3 n LYS 456 Cb 0.76 -4.81 -0.13 0.00 -0.51 0.00 0.00 35.03 30.34 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 -2.34 2.84 0.73 -0.18 1.01 -1.26 -5.10 121.20 116.90 2ww3 s ILE 457 Ca 0.00 -2.37 -0.13 0.00 0.00 0.00 0.00 60.65 58.15 2ww3 s ILE 457 Cb 0.00 -2.99 0.03 0.00 0.01 0.00 0.00 42.46 39.51 2ww3 s ILE 457 CO 0.00 -0.68 1.11 0.20 0.00 0.00 0.00 174.94 175.57 2ww3 s ASN 458 N 1.15 4.65 -1.53 3.58 0.01 -1.26 -3.69 114.94 117.86 2ww3 s ASN 458 Ca 0.11 1.97 -0.03 0.00 -0.71 0.00 0.00 52.86 54.20 2ww3 s ASN 458 Cb -0.21 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.91 2ww3 s ASN 458 CO -0.05 -1.94 0.42 -0.62 -1.51 0.00 0.00 177.10 173.40 2ww3 n GLU 459 N -2.99 -3.80 0.01 -0.60 1.02 0.40 -4.92 120.64 109.75 2ww3 n GLU 459 Ca 0.10 0.89 -0.03 0.00 -0.02 0.00 0.00 57.16 58.10 2ww3 n GLU 459 Cb 0.52 -5.59 0.22 0.00 -0.02 0.00 0.00 31.44 26.57 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 -0.96 0.49 -0.19 1.62 -1.07 -1.54 -1.68 115.58 112.25 2ww3 h ASN 460 Ca -0.49 -0.15 -0.13 0.00 0.07 0.00 0.00 56.30 55.59 2ww3 h ASN 460 Cb 1.35 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2ww3 h ASN 460 CO 0.54 0.70 -0.40 0.00 0.07 0.00 0.00 177.43 178.34 2ww3 h ALA 461 N 1.34 0.31 -0.33 4.14 0.00 -1.13 -2.47 119.26 121.13 2ww3 h ALA 461 Ca 0.07 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2ww3 h ALA 461 Cb 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2ww3 h ALA 461 CO 0.04 0.41 0.19 0.00 0.00 0.00 0.00 179.25 179.90 2ww3 h ALA 462 N 0.59 0.41 -0.25 0.00 0.00 -1.32 0.11 119.26 118.80 2ww3 h ALA 462 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2ww3 h ALA 462 Cb 1.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2ww3 h ALA 462 CO 0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.11 2ww3 h ARG 463 N 0.39 -0.00 -0.16 0.00 3.08 -1.33 -2.25 114.38 114.11 2ww3 h ARG 463 Ca 0.13 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.22 2ww3 h ARG 463 Cb -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2ww3 h ARG 463 CO -0.06 -0.00 -0.14 1.15 -1.07 0.00 0.00 179.97 179.85 2ww3 h THR 464 N -0.00 0.60 -0.23 2.04 2.02 -1.00 0.14 112.91 116.48 2ww3 h THR 464 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 2ww3 h THR 464 Cb 0.19 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2ww3 h THR 464 CO -0.26 0.00 0.15 -0.07 0.37 0.00 0.00 175.52 175.71 2ww3 h LEU 465 N -0.16 0.25 -0.45 2.58 3.38 -0.76 -1.72 115.31 118.43 2ww3 h LEU 465 Ca 0.10 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2ww3 h LEU 465 Cb 0.31 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2ww3 h LEU 465 CO -0.26 0.18 -0.22 -0.33 0.09 0.00 0.00 178.44 177.91 2ww3 h GLU 466 N 0.31 0.94 -0.63 1.13 5.08 -1.22 -2.38 114.58 117.81 2ww3 h GLU 466 Ca 0.09 -0.41 0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2ww3 h GLU 466 Cb -0.03 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.11 2ww3 h GLU 466 CO -0.03 1.08 0.18 1.88 -1.00 0.00 0.00 179.01 181.12 2ww3 h TYR 467 N 0.78 0.30 -0.46 4.33 0.05 -0.45 0.50 116.97 122.02 2ww3 h TYR 467 Ca 0.10 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.95 2ww3 h TYR 467 Cb 0.79 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.46 2ww3 h TYR 467 CO 0.06 0.01 0.23 0.00 -1.05 0.00 0.00 178.16 177.41 2ww3 h ALA 468 N 1.48 0.58 -0.58 3.88 0.00 -0.93 0.56 119.26 124.25 2ww3 h ALA 468 Ca 0.33 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2ww3 h ALA 468 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2ww3 h ALA 468 CO -0.38 -0.12 0.28 -0.92 0.00 0.00 0.00 179.25 178.10 2ww3 h TYR 469 N 0.46 0.84 -0.58 0.00 3.20 -0.76 -1.08 116.97 119.05 2ww3 h TYR 469 Ca 0.20 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2ww3 h TYR 469 Cb 0.10 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 2ww3 h TYR 469 CO -0.10 0.65 0.30 -0.44 -1.64 0.00 0.00 178.16 176.93 2ww3 h ASP 470 N 0.79 0.71 -0.31 -2.11 3.32 0.14 -1.80 116.42 117.16 2ww3 h ASP 470 Ca 0.20 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 2ww3 h ASP 470 Cb 0.13 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2ww3 h ASP 470 CO -0.02 0.58 -0.31 0.44 -1.72 0.00 0.00 179.24 178.20 2ww3 h ASP 471 N 0.80 0.87 -0.64 6.45 3.32 0.50 -1.81 116.42 125.91 2ww3 h ASP 471 Ca 0.20 -0.36 0.08 0.00 0.02 0.00 0.00 57.03 56.97 2ww3 h ASP 471 Cb 0.04 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.29 2ww3 h ASP 471 CO -0.03 1.11 0.30 -0.25 -1.72 0.00 0.00 179.24 178.65 2ww3 h TRP 472 N 0.70 0.54 -0.08 4.55 7.01 -0.62 0.21 115.95 128.25 2ww3 h TRP 472 Ca 0.08 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.13 2ww3 h TRP 472 Cb 0.87 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 2ww3 h TRP 472 CO 0.05 0.20 -0.08 0.00 -2.79 0.00 0.00 178.44 175.82 2ww3 h ILE 474 N -0.11 1.22 -0.64 0.00 2.04 -0.65 -1.43 117.51 117.95 2ww3 h ILE 474 Ca 0.06 -0.41 0.08 0.00 1.00 0.00 0.00 64.86 65.59 2ww3 h ILE 474 Cb 0.19 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 2ww3 h ILE 474 CO -0.15 0.21 0.30 0.22 0.00 0.00 0.00 178.15 178.74 2ww3 h TYR 475 N 1.13 0.54 -0.22 1.37 5.03 0.18 0.10 116.97 125.10 2ww3 h TYR 475 Ca 0.30 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.64 2ww3 h TYR 475 Cb -0.11 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.01 2ww3 h TYR 475 CO 0.00 0.20 0.13 0.00 -1.32 0.00 0.00 178.16 177.17 2ww3 h ARG 476 N 0.54 0.31 -0.35 1.82 2.47 -0.09 -1.03 114.38 118.05 2ww3 h ARG 476 Ca 0.31 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.96 2ww3 h ARG 476 Cb 0.30 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2ww3 h ARG 476 CO -0.25 0.26 0.07 1.25 0.56 0.00 0.00 179.97 181.87 2ww3 h LEU 477 N 0.26 0.54 -0.39 3.04 5.85 -1.12 -1.61 115.31 121.89 2ww3 h LEU 477 Ca 0.08 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.62 2ww3 h LEU 477 Cb 0.04 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 2ww3 h LEU 477 CO -0.01 0.65 0.06 0.00 -0.34 0.00 0.00 178.44 178.79 2ww3 h ALA 478 N 0.92 0.41 0.24 1.25 0.00 -0.59 0.15 119.26 121.64 2ww3 h ALA 478 Ca 0.11 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2ww3 h ALA 478 Cb 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2ww3 h ALA 478 CO 0.00 -0.34 -0.20 -0.22 0.00 0.00 0.00 179.25 178.49 2ww3 h LYS 479 N 0.18 -0.44 0.00 0.00 3.64 -1.18 -1.89 116.57 116.87 2ww3 h LYS 479 Ca 0.19 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2ww3 h LYS 479 Cb 0.24 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2ww3 h LYS 479 CO -0.26 -0.30 -0.04 1.49 -2.27 0.00 0.00 179.45 178.07 2ww3 h GLU 480 N -0.46 0.00 -0.09 1.90 4.57 -0.61 -1.79 114.58 118.11 2ww3 h GLU 480 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2ww3 h GLU 480 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2ww3 h GLU 480 CO -0.02 0.04 0.00 1.28 -1.18 0.00 0.00 179.01 179.13 2ww3 n LEU 481 N -3.74 1.94 -3.62 1.64 4.32 0.47 -4.95 117.00 113.06 2ww3 n LEU 481 Ca -0.03 -0.72 -0.23 0.00 -0.02 0.00 0.00 56.01 55.02 2ww3 n LEU 481 Cb 0.13 -0.05 0.07 0.00 -1.62 0.00 0.00 43.42 41.95 2ww3 n LEU 481 CO 0.28 0.36 0.13 0.29 -1.22 0.00 0.00 177.39 177.23 2ww3 n LYS 482 N 0.51 -6.67 -1.27 3.23 4.01 -0.67 -4.99 118.16 112.31 2ww3 n LYS 482 Ca 0.17 0.76 -0.30 0.00 -0.51 0.00 0.00 58.31 58.44 2ww3 n LYS 482 Cb 0.41 -5.70 0.13 0.00 -0.51 0.00 0.00 35.03 29.36 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 -6.04 1.41 0.40 1.97 1.81 -0.74 -4.97 118.95 112.79 2ww3 s ARG 483 Ca 0.34 0.79 -0.26 0.00 -1.72 0.00 0.00 55.73 54.88 2ww3 s ARG 483 Cb -0.15 -1.83 -0.11 0.00 -0.45 0.00 0.00 34.95 32.41 2ww3 s ARG 483 CO 0.76 -2.13 1.15 -2.30 -0.68 0.00 0.00 175.30 172.10 2ww3 n PRO 484 N -3.80 1.68 -0.34 3.54 -0.02 -1.26 -4.78 135.00 130.01 2ww3 n PRO 484 Ca 0.07 0.60 0.20 0.00 -2.02 0.00 0.00 63.50 62.34 2ww3 n PRO 484 Cb 0.55 -2.19 0.43 0.00 -0.02 0.00 0.00 33.50 32.27 2ww3 n PRO 484 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ww3 h LYS 485 N 1.93 0.50 -0.45 -0.52 -0.00 -1.99 -1.07 116.57 114.96 2ww3 h LYS 485 Ca -0.45 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.65 60.03 2ww3 h LYS 485 Cb 1.31 -0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 33.42 2ww3 h LYS 485 CO 0.59 0.33 -0.25 1.57 -0.00 0.00 0.00 179.45 181.69 2ww3 h LYS 486 N 0.51 0.93 -0.20 0.07 5.09 -1.99 -0.59 116.57 120.40 2ww3 h LYS 486 Ca 0.63 -0.41 -0.02 0.00 0.09 0.00 0.00 60.65 60.94 2ww3 h LYS 486 Cb 1.34 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.64 2ww3 h LYS 486 CO -0.42 1.07 0.05 0.93 -2.09 0.00 0.00 179.45 178.99 2ww3 h GLU 487 N 0.80 0.32 -0.63 0.07 5.08 -1.57 -1.93 114.58 116.73 2ww3 h GLU 487 Ca 0.10 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2ww3 h GLU 487 Cb 0.82 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2ww3 h GLU 487 CO 0.07 0.45 0.37 0.82 -1.00 0.00 0.00 179.01 179.72 2ww3 h ILE 488 N 0.14 1.18 -0.09 3.13 2.04 -1.33 -2.28 117.51 120.31 2ww3 h ILE 488 Ca 0.06 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 2ww3 h ILE 488 Cb 0.27 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2ww3 h ILE 488 CO 0.00 0.19 -0.49 0.28 0.00 0.00 0.00 178.15 178.14 2ww3 h SER 489 N 0.87 0.24 -0.40 1.72 0.02 -1.01 -2.63 113.55 112.37 2ww3 h SER 489 Ca 0.23 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2ww3 h SER 489 Cb -0.02 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2ww3 h SER 489 CO -0.04 0.69 -0.01 0.25 -1.14 0.00 0.00 176.83 176.59 2ww3 h LEU 490 N 0.18 0.70 -0.03 5.07 5.85 -0.78 -2.17 115.31 124.13 2ww3 h LEU 490 Ca 0.01 -0.31 -0.22 0.00 0.84 0.00 0.00 57.88 58.20 2ww3 h LEU 490 Cb 0.93 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2ww3 h LEU 490 CO 0.07 0.84 -1.03 -0.26 -0.34 0.00 0.00 178.44 177.72 2ww3 h PHE 491 N 0.54 0.16 -0.81 1.25 0.04 -1.53 -1.97 116.94 114.62 2ww3 h PHE 491 Ca 0.11 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2ww3 h PHE 491 Cb 0.48 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.58 2ww3 h PHE 491 CO 0.04 1.05 0.53 0.00 -0.60 0.00 0.00 178.31 179.33 2ww3 h ALA 492 N 0.91 1.60 -0.03 2.45 0.00 -1.48 -0.52 119.26 122.19 2ww3 h ALA 492 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ww3 h ALA 492 Cb 1.77 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2ww3 h ALA 492 CO 0.15 0.28 -0.09 -0.22 0.00 0.00 0.00 179.25 179.37 2ww3 h LYS 493 N 0.89 0.11 0.00 0.00 3.64 -1.25 -3.21 116.57 116.75 2ww3 h LYS 493 Ca 0.34 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2ww3 h LYS 493 Cb 0.21 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2ww3 h LYS 493 CO -0.12 0.70 -0.04 0.00 -2.27 0.00 0.00 179.45 177.71 2ww3 h ARG 494 N -0.46 0.00 0.00 1.90 3.08 -1.09 -1.17 114.38 116.64 2ww3 h ARG 494 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2ww3 h ARG 494 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 2ww3 h ARG 494 CO 0.02 0.04 -0.16 0.00 -1.07 0.00 0.00 179.97 178.80 2ww3 h ALA 495 N 1.96 1.25 -0.32 0.04 0.00 -1.10 -1.95 119.26 119.14 2ww3 h ALA 495 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ww3 h ALA 495 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ww3 h ALA 495 CO 0.01 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 178.13 2ww3 n MET 496 N -3.65 2.00 0.16 0.00 2.81 -0.44 -4.19 117.12 113.81 2ww3 n MET 496 Ca -0.01 -1.53 0.11 0.00 -1.81 0.00 0.00 57.70 54.45 2ww3 n MET 496 Cb 0.29 -1.40 0.56 0.00 -0.71 0.00 0.00 33.22 31.96 2ww3 n MET 496 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2ww3 n ASN 497 N 0.74 0.54 0.28 7.83 3.02 -0.73 -1.89 115.26 125.05 2ww3 n ASN 497 Ca 0.16 0.74 0.18 0.00 -0.03 0.00 0.00 54.58 55.64 2ww3 n ASN 497 Cb 0.40 -0.80 0.84 0.00 -0.61 0.00 0.00 39.78 39.62 2ww3 n ASN 497 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2ww3 h TYR 498 N 0.00 0.00 -0.03 3.10 -0.00 -1.82 -2.46 116.97 115.76 2ww3 h TYR 498 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.61 2ww3 h TYR 498 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.78 2ww3 h TYR 498 CO 0.00 0.00 -0.53 0.87 -0.00 0.00 0.00 178.16 178.50 2ww3 h LYS 499 N 0.00 0.09 0.00 0.10 1.57 -1.73 -3.03 116.57 113.57 2ww3 h LYS 499 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2ww3 h LYS 499 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2ww3 h LYS 499 CO 0.00 0.60 0.00 0.09 -0.57 0.00 0.00 179.45 179.57 2ww3 n ASN 500 N -3.92 0.45 -0.39 0.86 3.02 -0.93 -2.01 115.26 112.35 2ww3 n ASN 500 Ca -0.02 0.69 0.04 0.00 -0.03 0.00 0.00 54.58 55.26 2ww3 n ASN 500 Cb 0.55 -0.75 0.11 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.08 2.64 -4.64 3.41 4.77 -1.14 -4.96 117.00 115.00 2ww3 n LEU 501 Ca -0.00 -2.18 -0.41 0.00 -0.03 0.00 0.00 56.01 53.39 2ww3 n LEU 501 Cb 0.07 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2ww3 n LEU 501 CO 0.10 0.64 0.44 0.12 -1.33 0.00 0.00 177.39 177.36 2ww3 s PHE 502 N -1.32 3.31 -0.59 -1.77 5.36 -0.85 -0.51 117.98 121.61 2ww3 s PHE 502 Ca 0.17 0.91 -0.22 0.00 -0.96 0.00 0.00 56.93 56.83 2ww3 s PHE 502 Cb 0.11 -2.87 0.06 0.00 -0.34 0.00 0.00 43.02 39.98 2ww3 s PHE 502 CO 0.08 -0.31 0.85 0.34 -1.46 0.00 0.00 175.22 174.72 2ww3 s ASP 503 N 1.39 6.23 0.39 6.13 2.15 0.32 -4.91 116.67 128.36 2ww3 s ASP 503 Ca 0.28 -0.86 0.17 0.00 0.43 0.00 0.00 52.55 52.57 2ww3 s ASP 503 Cb -0.16 -2.38 1.06 0.00 -0.30 0.00 0.00 42.92 41.14 2ww3 s ASP 503 CO 0.09 -1.22 1.78 0.50 -0.17 0.00 0.00 175.17 176.15 2ww3 h LYS 504 N 9.32 0.43 -0.28 4.34 3.64 -1.93 0.27 116.57 132.36 2ww3 h LYS 504 Ca -0.28 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.03 2ww3 h LYS 504 Cb 1.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 2ww3 h LYS 504 CO 1.10 0.28 -0.01 1.49 -2.27 0.00 0.00 179.45 180.04 2ww3 h GLU 505 N 0.44 0.49 0.00 1.90 4.81 -1.94 -3.29 114.58 116.99 2ww3 h GLU 505 Ca 0.58 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2ww3 h GLU 505 Cb 1.39 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.73 2ww3 h GLU 505 CO -0.30 0.66 -1.44 -1.13 -0.73 0.00 0.00 179.01 176.08 2ww3 n SER 506 N -4.59 0.56 -1.48 1.04 3.41 -0.91 -4.96 113.62 106.70 2ww3 n SER 506 Ca -0.03 -0.55 -0.15 0.00 -0.26 0.00 0.00 58.87 57.88 2ww3 n SER 506 Cb 0.26 1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 65.61 2ww3 n SER 506 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ww3 n LYS 507 N -1.84 -1.13 -4.39 4.33 5.02 0.89 -5.02 118.16 116.03 2ww3 n LYS 507 Ca 0.00 0.84 -0.20 0.00 -2.02 0.00 0.00 58.31 56.94 2ww3 n LYS 507 Cb 0.44 -5.09 -0.10 0.00 -0.02 0.00 0.00 35.03 30.25 2ww3 n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww3 s LEU 508 N -3.92 2.47 0.35 -0.35 1.43 -1.21 -4.95 118.68 112.50 2ww3 s LEU 508 Ca 0.00 -1.14 -0.26 0.00 -1.03 0.00 0.00 54.13 51.70 2ww3 s LEU 508 Cb 0.00 -0.60 -0.09 0.00 0.03 0.00 0.00 46.19 45.53 2ww3 s LEU 508 CO 0.00 -0.31 1.08 -0.04 0.23 0.00 0.00 176.35 177.31 2ww3 s MET 509 N -3.72 4.34 -0.10 1.70 -1.94 -1.26 -0.52 119.30 117.80 2ww3 s MET 509 Ca 0.27 1.65 -0.08 0.00 -1.71 0.00 0.00 55.69 55.83 2ww3 s MET 509 Cb 0.03 -2.81 0.03 0.00 2.01 0.00 0.00 34.83 34.09 2ww3 s MET 509 CO 0.10 -0.02 0.25 0.50 -0.01 0.00 0.00 175.02 175.84 2ww3 s ARG 510 N -2.07 0.27 0.54 2.03 3.52 0.33 -4.82 118.95 118.74 2ww3 s ARG 510 Ca 0.53 0.42 -0.20 0.00 -0.13 0.00 0.00 55.73 56.34 2ww3 s ARG 510 Cb -0.27 0.05 -0.07 0.00 -1.56 0.00 0.00 34.95 33.10 2ww3 s ARG 510 CO 0.34 -0.08 0.97 0.41 -0.81 0.00 0.00 175.30 176.12 2ww3 n GLY 511 N 3.41 -0.31 2.83 8.12 0.00 -1.26 -4.76 105.19 113.22 2ww3 n GLY 511 Ca -0.17 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2ww3 n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ww3 s ARG 512 N -2.47 0.84 0.70 1.61 3.52 -1.26 -1.13 118.95 120.76 2ww3 s ARG 512 Ca 0.71 -0.02 -0.16 0.00 -0.13 0.00 0.00 55.73 56.12 2ww3 s ARG 512 Cb -0.46 -1.04 0.02 0.00 -1.56 0.00 0.00 34.95 31.91 2ww3 s ARG 512 CO 0.51 -0.22 1.24 -0.80 -0.81 0.00 0.00 175.30 175.22 2ww3 s ASN 513 N 1.58 4.37 0.38 -2.12 0.01 0.15 -0.42 114.94 118.89 2ww3 s ASN 513 Ca -0.00 2.46 0.14 0.00 -0.71 0.00 0.00 52.86 54.75 2ww3 s ASN 513 Cb -0.13 -2.60 0.99 0.00 0.41 0.00 0.00 41.25 39.92 2ww3 s ASN 513 CO -0.04 -2.15 1.82 -0.08 -1.51 0.00 0.00 177.10 175.14 2ww3 h GLU 514 N 0.06 0.49 -0.15 -0.60 4.81 -1.89 -0.64 114.58 116.67 2ww3 h GLU 514 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2ww3 h GLU 514 Cb 1.31 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2ww3 h GLU 514 CO 0.51 0.33 0.00 -0.40 -0.73 0.00 0.00 179.01 178.72 2ww3 n ASP 515 N -4.60 0.15 0.00 1.04 5.68 -1.26 -4.85 116.55 112.71 2ww3 n ASP 515 Ca 0.22 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 2ww3 n ASP 515 Cb 0.70 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 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 0.36 1.99 3.82 6.12 0.00 -0.25 -5.05 105.19 112.19 2ww3 n GLY 516 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.33 4.64 0.45 2.61 -4.23 -1.25 -4.83 115.64 110.70 2ww3 s THR 517 Ca 0.00 1.15 -0.23 0.00 -1.18 0.00 0.00 61.69 61.43 2ww3 s THR 517 Cb 0.00 -3.81 -0.08 0.00 1.34 0.00 0.00 72.50 69.95 2ww3 s THR 517 CO 0.00 0.19 1.12 -0.36 -0.54 0.00 0.00 174.62 175.04 2ww3 s PHE 518 N -1.53 2.99 0.34 3.99 0.08 -1.26 0.31 117.98 122.90 2ww3 s PHE 518 Ca 0.42 1.57 -0.27 0.00 0.12 0.00 0.00 56.93 58.77 2ww3 s PHE 518 Cb -0.16 -3.28 -0.09 0.00 -0.57 0.00 0.00 43.02 38.92 2ww3 s PHE 518 CO 0.20 -1.21 1.12 1.14 -0.10 0.00 0.00 175.22 176.37 2ww3 s GLN 519 N -2.69 4.36 0.09 0.44 1.03 -0.28 -4.74 119.66 117.87 2ww3 s GLN 519 Ca 0.62 1.77 0.03 0.00 0.04 0.00 0.00 55.36 57.82 2ww3 s GLN 519 Cb -0.26 -2.90 -0.04 0.00 0.03 0.00 0.00 33.01 29.85 2ww3 s GLN 519 CO 0.31 -0.03 -0.09 -1.12 -2.54 0.00 0.00 175.29 171.83 2ww3 s SER 520 N -1.09 1.27 0.51 12.60 0.01 -1.26 -3.95 113.70 121.80 2ww3 s SER 520 Ca 0.51 -0.82 -0.19 0.00 1.31 0.00 0.00 55.95 56.76 2ww3 s SER 520 Cb -0.30 0.03 -0.07 0.00 0.21 0.00 0.00 66.02 65.90 2ww3 s SER 520 CO 0.38 -0.30 1.05 -2.84 0.41 0.00 0.00 173.24 171.94 2ww3 s PRO 521 N -2.85 3.65 -0.17 12.44 0.02 -1.26 -5.13 135.00 141.70 2ww3 s PRO 521 Ca 0.04 1.36 -0.08 0.00 0.02 0.00 0.00 61.00 62.34 2ww3 s PRO 521 Cb -0.02 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 2ww3 s PRO 521 CO -0.01 -0.56 0.09 0.12 -0.33 0.00 0.00 177.00 176.31 2ww3 s PHE 522 N -2.05 3.35 -0.26 6.54 5.36 -1.25 -5.07 117.98 124.59 2ww3 s PHE 522 Ca 0.67 0.24 -0.00 0.00 -0.96 0.00 0.00 56.93 56.87 2ww3 s PHE 522 Cb -0.17 -2.07 0.08 0.00 -0.34 0.00 0.00 43.02 40.52 2ww3 s PHE 522 CO 0.24 0.31 0.03 0.45 -1.46 0.00 0.00 175.22 174.79 2ww3 s SER 523 N 0.08 3.78 0.50 6.13 0.15 -1.26 -5.01 113.70 118.08 2ww3 s SER 523 Ca 0.07 -1.34 0.19 0.00 0.70 0.00 0.00 55.95 55.57 2ww3 s SER 523 Cb -0.12 -0.98 1.26 0.00 -1.71 0.00 0.00 66.02 64.47 2ww3 s SER 523 CO 0.00 -0.33 2.04 -0.65 1.20 0.00 0.00 173.24 175.50 2ww3 h PRO 524 N 8.03 0.11 -0.13 5.44 0.11 -1.97 -2.21 132.00 141.39 2ww3 h PRO 524 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2ww3 h PRO 524 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2ww3 h PRO 524 CO 0.42 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.57 2ww3 n LEU 525 N -4.45 1.92 -4.65 2.35 4.77 -1.26 -2.53 117.00 113.15 2ww3 n LEU 525 Ca 0.06 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.87 2ww3 n LEU 525 Cb 0.39 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2ww3 n LEU 525 CO 0.35 0.37 0.98 -0.75 -1.33 0.00 0.00 177.39 177.02 2ww3 s LYS 526 N -1.85 4.12 0.52 3.23 2.20 -0.83 -2.17 119.74 124.96 2ww3 s LYS 526 Ca 0.34 1.24 -0.17 0.00 -0.36 0.00 0.00 55.97 57.02 2ww3 s LYS 526 Cb 0.19 -3.73 -0.07 0.00 -1.51 0.00 0.00 37.83 32.71 2ww3 s LYS 526 CO 0.30 -0.83 1.00 -1.58 -0.36 0.00 0.00 175.35 173.88 2ww3 s TRP 527 N 3.59 3.28 0.00 4.03 0.52 -0.87 -4.34 118.94 125.16 2ww3 s TRP 527 Ca 0.47 1.51 0.00 0.00 0.02 0.00 0.00 56.10 58.10 2ww3 s TRP 527 Cb -0.15 -2.87 0.00 0.00 -1.15 0.00 0.00 33.47 29.30 2ww3 s TRP 527 CO 0.13 -0.54 0.00 0.41 0.02 0.00 0.00 176.95 176.97 2ww3 n GLY 528 N -1.18 -0.58 6.79 0.98 0.00 -0.35 -4.58 105.19 106.27 2ww3 n GLY 528 Ca 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2ww3 n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ww3 n ASP 529 N -1.00 0.00 0.15 1.61 2.03 -1.26 -1.42 116.55 116.65 2ww3 n ASP 529 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 2ww3 n ASP 529 Cb 0.00 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.62 2ww3 n ASP 529 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ww3 h ALA 530 N -0.66 1.08 -1.01 -1.67 0.00 -1.91 1.15 119.26 116.25 2ww3 h ALA 530 Ca 0.00 -0.50 -0.60 0.00 0.00 0.00 0.00 54.91 53.81 2ww3 h ALA 530 Cb 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 2ww3 h ALA 530 CO 0.00 0.69 -0.44 -0.06 0.00 0.00 0.00 179.25 179.44 2ww3 s PHE 531 N -3.78 2.14 -0.08 0.00 0.08 -0.51 -0.67 117.98 115.17 2ww3 s PHE 531 Ca -0.02 -0.74 0.05 0.00 0.12 0.00 0.00 56.93 56.33 2ww3 s PHE 531 Cb 0.13 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 2ww3 s PHE 531 CO 0.75 -0.01 -0.24 0.99 -0.10 0.00 0.00 175.22 176.61 2ww3 s THR 532 N -2.71 2.05 -1.53 0.64 2.01 -1.26 -4.05 115.64 110.78 2ww3 s THR 532 Ca 0.31 -1.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 2ww3 s THR 532 Cb 0.01 -1.76 0.09 0.00 0.01 0.00 0.00 72.50 70.85 2ww3 s THR 532 CO 0.18 0.56 0.96 -0.62 -0.69 0.00 0.00 174.62 175.01 2ww3 n GLU 533 N 3.32 -5.36 -3.87 4.92 -0.58 -1.26 -4.81 120.64 113.00 2ww3 n GLU 533 Ca -0.18 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2ww3 n GLU 533 Cb 0.53 -5.44 0.00 0.00 -0.57 0.00 0.00 31.44 25.95 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 -1.68 -2.31 0.70 0.62 0.00 -1.26 -4.83 105.19 96.44 2ww3 n GLY 534 Ca 0.02 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.73 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 2.62 1.84 -0.25 1.61 0.23 -1.26 -1.21 115.26 118.85 2ww3 n ASN 535 Ca 0.00 -1.39 0.02 0.00 -0.53 0.00 0.00 54.58 52.68 2ww3 n ASN 535 Cb 0.00 0.03 0.25 0.00 -2.08 0.00 0.00 39.78 37.99 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 0.18 0.86 0.55 0.53 0.87 -1.69 -0.78 113.55 114.07 2ww3 h SER 536 Ca -0.07 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2ww3 h SER 536 Cb 0.24 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2ww3 h SER 536 CO 0.12 0.59 -0.01 -0.50 -0.53 0.00 0.00 176.83 176.50 2ww3 h TRP 537 N 1.00 0.00 0.07 2.24 4.06 -1.93 -1.13 115.95 120.25 2ww3 h TRP 537 Ca 0.32 0.00 -0.36 0.00 2.06 0.00 0.00 58.89 60.91 2ww3 h TRP 537 Cb 0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.16 2ww3 h TRP 537 CO -0.00 0.01 -2.10 0.72 -3.56 0.00 0.00 178.44 173.51 2ww3 n HIS 538 N -3.13 0.82 0.75 0.49 8.25 -0.49 -4.52 115.22 117.38 2ww3 n HIS 538 Ca -0.01 0.20 0.12 0.00 -0.26 0.00 0.00 57.72 57.76 2ww3 n HIS 538 Cb 0.20 -1.12 0.11 0.00 1.12 0.00 0.00 29.99 30.31 2ww3 n HIS 538 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2ww3 n TYR 539 N -3.31 0.21 0.25 4.41 9.36 -0.42 -4.13 117.16 123.54 2ww3 n TYR 539 Ca -0.33 0.06 0.10 0.00 3.32 0.00 0.00 57.90 61.05 2ww3 n TYR 539 Cb 1.04 -0.38 0.65 0.00 -0.63 0.00 0.00 39.34 40.02 2ww3 n TYR 539 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2ww3 h THR 540 N 0.00 0.82 -0.05 2.97 2.02 -1.46 -1.90 112.91 115.31 2ww3 h THR 540 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2ww3 h THR 540 Cb 0.64 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2ww3 h THR 540 CO 0.00 0.13 0.00 0.79 0.37 0.00 0.00 175.52 176.81 2ww3 n TRP 541 N -3.98 0.07 -1.50 3.16 7.02 -1.26 -4.56 117.44 116.38 2ww3 n TRP 541 Ca -0.02 -0.03 -0.40 0.00 -1.02 0.00 0.00 57.50 56.03 2ww3 n TRP 541 Cb 0.22 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.09 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 -0.43 7.64 -3.23 -0.99 7.64 -0.72 -4.48 113.62 119.06 2ww3 n SER 542 Ca 0.14 -2.70 -0.24 0.00 1.01 0.00 0.00 58.87 57.07 2ww3 n SER 542 Cb 0.14 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 61.73 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 3.65 0.77 0.06 0.44 0.31 -1.26 -4.69 118.33 117.61 2ww3 n VAL 543 Ca 0.71 -4.66 0.03 0.00 -0.01 0.00 0.00 64.34 60.41 2ww3 n VAL 543 Cb 0.27 -1.67 0.42 0.00 -0.91 0.00 0.00 33.84 31.95 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 3.78 0.39 -0.09 3.52 -1.00 -1.89 -1.91 116.94 119.74 2ww3 h PHE 544 Ca 0.12 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2ww3 h PHE 544 Cb 0.78 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.22 2ww3 h PHE 544 CO 0.55 0.33 0.00 -2.39 -1.61 0.00 0.00 178.31 175.18 2ww3 n HIS 545 N -4.40 0.10 -2.72 -0.55 1.44 -1.26 -4.48 115.22 103.35 2ww3 n HIS 545 Ca 0.01 -0.05 -0.08 0.00 -2.01 0.00 0.00 57.72 55.59 2ww3 n HIS 545 Cb 0.14 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.35 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 0.53 -1.61 0.12 4.39 -0.08 -0.73 -0.11 116.55 119.07 2ww3 n ASP 546 Ca 0.17 -2.76 0.10 0.00 -1.51 0.00 0.00 54.79 50.79 2ww3 n ASP 546 Cb 0.41 1.02 0.59 0.00 2.34 0.00 0.00 41.12 45.48 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 2.33 0.16 -0.79 -0.67 0.11 -1.74 -0.24 132.00 131.15 2ww3 h PRO 547 Ca -0.21 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 2ww3 h PRO 547 Cb 1.24 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2ww3 h PRO 547 CO 0.04 0.11 0.43 0.37 -0.21 0.00 0.00 178.00 178.74 2ww3 h GLN 548 N 0.17 1.10 -0.71 1.05 5.75 -1.90 0.20 115.11 120.77 2ww3 h GLN 548 Ca 0.11 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 2ww3 h GLN 548 Cb 0.22 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2ww3 h GLN 548 CO -0.02 0.81 0.33 0.78 -2.65 0.00 0.00 178.83 178.08 2ww3 h GLY 549 N 1.14 1.10 0.91 2.39 0.00 -1.46 0.12 103.07 107.27 2ww3 h GLY 549 Ca 0.28 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 2ww3 h GLY 549 CO -0.04 0.52 -0.12 -2.00 0.00 0.00 0.00 176.54 174.89 2ww3 h LEU 550 N 1.02 0.63 -0.92 3.11 5.85 -0.54 0.83 115.31 125.29 2ww3 h LEU 550 Ca 0.25 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2ww3 h LEU 550 Cb 0.13 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2ww3 h LEU 550 CO -0.03 0.88 0.59 0.40 -0.34 0.00 0.00 178.44 179.94 2ww3 h ILE 551 N 0.38 1.09 -0.06 4.05 2.04 -0.38 -1.39 117.51 123.24 2ww3 h ILE 551 Ca 0.07 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2ww3 h ILE 551 Cb 0.63 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2ww3 h ILE 551 CO 0.04 0.20 -0.02 0.44 0.00 0.00 0.00 178.15 178.81 2ww3 h ASP 552 N 1.09 0.12 -0.94 1.72 3.32 -0.37 0.67 116.42 122.03 2ww3 h ASP 552 Ca 0.39 -0.39 0.27 0.00 0.02 0.00 0.00 57.03 57.33 2ww3 h ASP 552 Cb 0.12 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 39.49 2ww3 h ASP 552 CO -0.16 0.48 0.40 -0.07 -1.72 0.00 0.00 179.24 178.18 2ww3 h LEU 553 N -0.24 0.26 -0.55 1.55 3.38 -0.55 -0.16 115.31 119.00 2ww3 h LEU 553 Ca 0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2ww3 h LEU 553 Cb 0.43 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2ww3 h LEU 553 CO 0.01 -0.13 -0.03 0.23 0.09 0.00 0.00 178.44 178.60 2ww3 n MET 554 N -5.13 1.27 -1.11 1.13 2.81 -0.55 -4.89 117.12 110.64 2ww3 n MET 554 Ca 0.26 -0.55 0.00 0.00 -1.81 0.00 0.00 57.70 55.61 2ww3 n MET 554 Cb 0.82 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 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 1.15 1.10 0.00 3.03 0.00 -0.07 -4.66 105.19 105.73 2ww3 n GLY 555 Ca 0.19 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.98 2.03 0.32 -0.02 0.00 0.18 -4.61 105.19 102.11 2ww3 n GLY 556 Ca 0.00 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.91 2ww3 n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ww3 h LYS 557 N 0.00 1.03 -0.52 1.61 2.10 -1.92 -0.08 116.57 118.78 2ww3 h LYS 557 Ca 0.00 -0.23 -0.01 0.00 -2.00 0.00 0.00 60.65 58.41 2ww3 h LYS 557 Cb 0.00 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.16 2ww3 h LYS 557 CO 0.00 0.91 0.29 0.93 -2.00 0.00 0.00 179.45 179.57 2ww3 h GLU 558 N 0.99 0.73 -0.37 0.07 3.07 -1.91 0.27 114.58 117.43 2ww3 h GLU 558 Ca 0.21 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 58.88 2ww3 h GLU 558 Cb 0.33 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2ww3 h GLU 558 CO -0.00 0.56 -0.18 1.98 -1.40 0.00 0.00 179.01 179.97 2ww3 h MET 559 N 0.70 0.77 -0.38 2.33 4.05 -1.74 -1.86 114.93 118.80 2ww3 h MET 559 Ca 0.18 -0.34 0.05 0.00 -0.28 0.00 0.00 59.70 59.32 2ww3 h MET 559 Cb 0.04 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 2ww3 h MET 559 CO -0.03 0.96 0.09 0.35 0.23 0.00 0.00 176.91 178.51 2ww3 h PHE 560 N 0.56 0.16 -0.60 1.39 3.04 -0.82 -0.38 116.94 120.28 2ww3 h PHE 560 Ca 0.08 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 2ww3 h PHE 560 Cb 0.73 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.20 2ww3 h PHE 560 CO 0.06 0.04 0.18 0.28 -2.02 0.00 0.00 178.31 176.85 2ww3 h VAL 561 N 0.22 1.23 -0.22 1.41 2.07 -0.84 -0.71 116.25 119.41 2ww3 h VAL 561 Ca 0.18 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.90 2ww3 h VAL 561 Cb 0.20 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2ww3 h VAL 561 CO -0.22 0.31 0.13 0.74 0.02 0.00 0.00 177.57 178.55 2ww3 h THR 562 N 0.89 1.02 -0.65 2.57 2.02 -0.66 0.12 112.91 118.23 2ww3 h THR 562 Ca 0.20 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2ww3 h THR 562 Cb 0.27 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2ww3 h THR 562 CO -0.01 0.05 0.38 0.24 0.37 0.00 0.00 175.52 176.55 2ww3 h MET 563 N 0.27 0.89 0.12 6.66 2.86 -0.45 -2.12 114.93 123.16 2ww3 h MET 563 Ca 0.09 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2ww3 h MET 563 Cb -0.00 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.48 2ww3 h MET 563 CO -0.04 0.65 -0.06 0.52 1.06 0.00 0.00 176.91 179.05 2ww3 h MET 564 N 0.88 -0.15 -0.97 1.72 2.86 -0.91 -2.61 114.93 115.75 2ww3 h MET 564 Ca 0.23 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 58.09 2ww3 h MET 564 Cb 0.00 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.61 2ww3 h MET 564 CO -0.04 0.01 0.62 -0.44 1.06 0.00 0.00 176.91 178.12 2ww3 h ASP 565 N -0.29 0.55 1.23 1.22 5.19 -0.62 -1.29 116.42 122.42 2ww3 h ASP 565 Ca -0.02 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 2ww3 h ASP 565 Cb 0.23 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2ww3 h ASP 565 CO 0.03 0.19 -0.19 0.77 -3.12 0.00 0.00 179.24 176.92 2ww3 h SER 566 N 0.54 0.00 -0.95 6.45 4.64 -0.99 -2.78 113.55 120.45 2ww3 h SER 566 Ca 0.53 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 62.00 2ww3 h SER 566 Cb 1.14 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.14 2ww3 h SER 566 CO -0.27 0.19 0.56 0.58 -0.87 0.00 0.00 176.83 177.02 2ww3 h VAL 567 N 0.00 0.81 0.00 0.95 2.07 -1.09 -1.09 116.25 117.90 2ww3 h VAL 567 Ca -0.00 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2ww3 h VAL 567 Cb 0.86 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2ww3 h VAL 567 CO 0.02 0.15 -0.26 -0.26 0.02 0.00 0.00 177.57 177.25 2ww3 h PHE 568 N 0.82 0.00 0.00 1.57 0.04 -1.61 0.12 116.94 117.88 2ww3 h PHE 568 Ca 0.50 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 61.11 2ww3 h PHE 568 Cb 0.63 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 2ww3 h PHE 568 CO -0.03 0.26 -1.45 0.00 -0.60 0.00 0.00 178.31 176.49 2ww3 n ALA 569 N -2.17 1.97 -2.62 2.45 0.00 -0.50 -2.35 120.51 117.28 2ww3 n ALA 569 Ca 0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 2ww3 n ALA 569 Cb 0.60 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 2ww3 n ALA 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ww3 s VAL 570 N -2.95 4.78 0.73 0.00 -7.23 -0.66 -4.89 120.40 110.18 2ww3 s VAL 570 Ca -0.03 1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 61.28 2ww3 s VAL 570 Cb 0.09 -4.16 -0.08 0.00 0.56 0.00 0.00 36.38 32.79 2ww3 s VAL 570 CO 0.81 -0.22 0.15 -2.65 -0.31 0.00 0.00 175.10 172.88 2ww3 n PRO 571 N 6.21 0.15 -1.81 4.82 -0.02 -1.26 -3.20 135.00 139.89 2ww3 n PRO 571 Ca 0.05 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 2ww3 n PRO 571 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 2ww3 n PRO 571 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ww3 n PRO 572 N 0.28 3.41 -2.39 0.52 -0.04 -1.26 -4.68 135.00 130.85 2ww3 n PRO 572 Ca 0.07 -2.83 -0.28 0.00 -0.04 0.00 0.00 63.50 60.42 2ww3 n PRO 572 Cb 0.50 -3.02 0.01 0.00 -0.04 0.00 0.00 33.50 30.95 2ww3 n PRO 572 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2ww3 s ILE 573 N 1.82 4.47 0.08 0.52 -0.00 -1.26 -4.82 121.20 122.00 2ww3 s ILE 573 Ca 0.51 0.29 -0.26 0.00 -0.00 0.00 0.00 60.65 61.19 2ww3 s ILE 573 Cb 0.14 -3.74 0.08 0.00 -0.00 0.00 0.00 42.46 38.95 2ww3 s ILE 573 CO -0.06 -0.79 0.69 0.72 -0.00 0.00 0.00 174.94 175.50 2ww3 s PHE 574 N -2.92 -0.50 -0.13 1.37 -0.12 -1.26 -4.93 117.98 109.48 2ww3 s PHE 574 Ca 0.51 0.41 0.03 0.00 -0.05 0.00 0.00 56.93 57.83 2ww3 s PHE 574 Cb -0.11 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 42.83 2ww3 s PHE 574 CO 0.47 -0.73 -0.22 0.34 -0.05 0.00 0.00 175.22 175.03 2ww3 s ASP 575 N -2.43 3.09 0.00 1.98 -1.08 -0.92 -4.98 116.67 112.32 2ww3 s ASP 575 Ca 0.00 -0.59 0.12 0.00 -0.52 0.00 0.00 52.55 51.57 2ww3 s ASP 575 Cb -0.01 -1.43 0.27 0.00 -1.46 0.00 0.00 42.92 40.30 2ww3 s ASP 575 CO -0.09 0.09 1.17 -0.90 0.52 0.00 0.00 175.17 175.97 2ww3 n ASP 576 N 3.98 2.75 -0.42 -0.34 5.75 -1.26 -2.05 116.55 124.96 2ww3 n ASP 576 Ca -0.20 -1.85 0.37 0.00 -0.01 0.00 0.00 54.79 53.10 2ww3 n ASP 576 Cb 0.52 -0.18 0.65 0.00 -1.03 0.00 0.00 41.12 41.07 2ww3 n ASP 576 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2ww3 h SER 577 N 2.39 0.24 -0.76 -1.12 0.02 -1.92 0.81 113.55 113.21 2ww3 h SER 577 Ca 0.00 0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 2ww3 h SER 577 Cb 0.69 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 2ww3 h SER 577 CO 0.00 -0.33 0.28 0.22 -1.14 0.00 0.00 176.83 175.86 2ww3 h TYR 578 N 0.00 1.18 0.00 3.45 3.20 -1.84 -3.00 116.97 119.95 2ww3 h TYR 578 Ca 0.87 -0.10 -0.22 0.00 3.14 0.00 0.00 58.73 62.42 2ww3 h TYR 578 Cb 2.63 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 40.52 2ww3 h TYR 578 CO -0.01 0.91 -1.55 0.66 -1.64 0.00 0.00 178.16 176.53 2ww3 n TYR 579 N -4.29 0.98 -2.20 -3.82 4.01 0.25 -4.98 117.16 107.11 2ww3 n TYR 579 Ca 0.06 0.34 -0.13 0.00 -0.16 0.00 0.00 57.90 58.01 2ww3 n TYR 579 Cb 0.20 -1.13 -0.01 0.00 -0.31 0.00 0.00 39.34 38.09 2ww3 n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww3 n GLY 580 N 1.46 -0.08 3.61 2.72 0.00 0.67 -4.99 105.19 108.58 2ww3 n GLY 580 Ca -0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.57 0.22 -1.15 1.61 -2.07 -1.26 -5.05 119.66 107.38 2ww3 s GLN 581 Ca 0.00 -0.09 -0.21 0.00 -1.82 0.00 0.00 55.36 53.25 2ww3 s GLN 581 Cb 0.00 0.10 0.05 0.00 -1.09 0.00 0.00 33.01 32.06 2ww3 s GLN 581 CO 0.00 -0.10 1.64 0.08 -1.32 0.00 0.00 175.29 175.59 2ww3 s VAL 582 N -2.29 3.96 0.84 3.63 1.01 -1.26 -4.89 120.40 121.41 2ww3 s VAL 582 Ca 0.11 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 2ww3 s VAL 582 Cb -0.00 -5.04 0.08 0.00 0.00 0.00 0.00 36.38 31.42 2ww3 s VAL 582 CO -0.04 -1.87 1.00 2.30 0.00 0.00 0.00 175.10 176.49 2ww3 n ILE 583 N 6.78 1.28 -0.23 2.22 -5.35 -1.26 -4.67 119.36 118.13 2ww3 n ILE 583 Ca 0.41 -0.18 0.16 0.00 -0.27 0.00 0.00 62.75 62.88 2ww3 n ILE 583 Cb 0.48 -1.02 0.48 0.00 -1.74 0.00 0.00 39.64 37.84 2ww3 n ILE 583 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2ww3 h HIS 584 N -1.16 0.59 -0.98 4.28 2.07 -1.76 -0.46 115.15 117.73 2ww3 h HIS 584 Ca -0.45 0.02 0.07 0.00 -2.85 0.00 0.00 60.37 57.16 2ww3 h HIS 584 Cb 1.30 -0.18 -0.07 0.00 2.57 0.00 0.00 27.41 31.03 2ww3 h HIS 584 CO 0.45 0.19 0.63 0.93 -3.07 0.00 0.00 177.93 177.06 2ww3 h GLU 585 N 0.47 1.08 -0.06 5.12 3.07 -1.88 0.83 114.58 123.22 2ww3 h GLU 585 Ca 0.44 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.21 2ww3 h GLU 585 Cb 0.98 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 2ww3 h GLU 585 CO -0.17 0.71 -0.05 0.82 -1.40 0.00 0.00 179.01 178.93 2ww3 h ILE 586 N 1.11 1.36 -1.00 3.13 2.04 -1.41 -2.92 117.51 119.83 2ww3 h ILE 586 Ca 0.43 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 65.21 2ww3 h ILE 586 Cb 0.22 2.01 -0.07 0.00 -0.74 0.00 0.00 36.82 38.25 2ww3 h ILE 586 CO -0.18 0.32 0.64 -0.09 0.00 0.00 0.00 178.15 178.84 2ww3 h ARG 587 N -0.29 1.08 -0.89 2.37 9.65 -1.05 -1.94 114.38 123.31 2ww3 h ARG 587 Ca 0.01 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2ww3 h ARG 587 Cb 0.53 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 2ww3 h ARG 587 CO 0.01 0.71 0.57 0.93 2.80 0.00 0.00 179.97 185.00 2ww3 h GLU 588 N 1.11 1.18 -0.07 0.20 5.08 -0.81 -2.23 114.58 119.04 2ww3 h GLU 588 Ca 0.45 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 2ww3 h GLU 588 Cb 0.27 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2ww3 h GLU 588 CO -0.20 0.80 0.02 1.98 -1.00 0.00 0.00 179.01 180.61 2ww3 h MET 589 N 1.21 0.11 -0.60 2.33 4.05 -1.18 -3.25 114.93 117.60 2ww3 h MET 589 Ca 0.32 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 2ww3 h MET 589 Cb -0.11 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 2ww3 h MET 589 CO -0.07 0.28 0.32 1.79 0.23 0.00 0.00 176.91 179.46 2ww3 h THR 590 N -0.08 1.19 0.00 -0.77 1.35 -0.88 -3.05 112.91 110.67 2ww3 h THR 590 Ca 0.02 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2ww3 h THR 590 Cb 0.22 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.02 2ww3 h THR 590 CO -0.00 0.21 0.00 -0.37 -0.25 0.00 0.00 175.52 175.11 2ww3 h VAL 591 N 0.83 0.00 0.00 6.82 -1.51 -1.45 -3.24 116.25 117.70 2ww3 h VAL 591 Ca 0.21 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 2ww3 h VAL 591 Cb 0.04 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 2ww3 h VAL 591 CO -0.03 0.00 -0.07 0.24 -1.23 0.00 0.00 177.57 176.48 2ww3 h MET 592 N 0.00 0.00 -5.89 5.19 2.86 -1.61 -3.48 114.93 112.01 2ww3 h MET 592 Ca 0.00 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.25 2ww3 h MET 592 Cb 0.81 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.58 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 -2.78 -4.09 -2.36 1.22 4.05 -1.22 -4.92 115.26 105.15 2ww3 n ASN 593 Ca 0.04 -0.64 -0.26 0.00 0.45 0.00 0.00 54.58 54.18 2ww3 n ASN 593 Cb 0.50 -4.76 0.01 0.00 1.23 0.00 0.00 39.78 36.75 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 -4.59 3.42 0.00 1.20 2.81 -1.26 -5.09 117.12 113.61 2ww3 n MET 594 Ca -0.12 -4.39 0.00 0.00 -1.81 0.00 0.00 57.70 51.38 2ww3 n MET 594 Cb 0.61 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 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 -0.53 2.80 0.74 3.03 0.00 -0.99 -1.05 105.19 109.18 2ww3 n GLY 595 Ca 0.39 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 1.77 2.19 -4.56 1.61 3.02 0.43 -4.28 115.26 115.43 2ww3 n ASN 596 Ca 0.00 -1.84 -0.40 0.00 -0.03 0.00 0.00 54.58 52.32 2ww3 n ASN 596 Cb 0.00 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.64 1.77 -0.50 3.10 5.04 -0.21 -4.90 117.35 120.01 2ww3 s TYR 597 Ca 0.33 0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 55.59 2ww3 s TYR 597 Cb 0.18 -4.14 0.13 0.00 0.35 0.00 0.00 41.96 38.48 2ww3 s TYR 597 CO 0.26 -2.38 0.36 0.00 -1.34 0.00 0.00 175.55 172.45 2ww3 s ALA 598 N 8.30 3.42 0.53 3.97 0.00 -1.26 -4.71 121.76 132.01 2ww3 s ALA 598 Ca 0.67 -2.66 0.30 0.00 0.00 0.00 0.00 51.96 50.27 2ww3 s ALA 598 Cb -0.14 -2.80 1.72 0.00 0.00 0.00 0.00 23.12 21.90 2ww3 s ALA 598 CO 0.23 -1.94 2.20 1.25 0.00 0.00 0.00 175.76 177.50 2ww3 h HIS 599 N 8.23 0.00 -0.00 0.00 2.76 -1.94 -1.41 115.15 122.78 2ww3 h HIS 599 Ca -0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.01 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 0.66 0.04 -0.01 0.41 -1.30 0.00 0.00 177.93 177.74 2ww3 n GLY 600 N -1.07 -1.40 3.58 5.26 0.00 -1.26 -4.68 105.19 105.61 2ww3 n GLY 600 Ca -0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2ww3 n GLY 600 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ww3 s ASN 601 N -2.80 6.17 0.21 1.61 2.47 -0.53 -4.68 114.94 117.38 2ww3 s ASN 601 Ca 0.21 0.30 -0.15 0.00 0.42 0.00 0.00 52.86 53.64 2ww3 s ASN 601 Cb 0.20 -2.55 0.23 0.00 -1.45 0.00 0.00 41.25 37.68 2ww3 s ASN 601 CO 0.50 -1.68 1.60 1.56 -3.72 0.00 0.00 177.10 175.37 2ww3 h GLN 602 N 10.92 -0.05 -0.26 0.43 7.50 -1.87 -1.53 115.11 130.25 2ww3 h GLN 602 Ca -0.27 0.00 0.07 0.00 0.50 0.00 0.00 58.65 58.96 2ww3 h GLN 602 Cb 1.09 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.62 2ww3 h GLN 602 CO 1.17 -0.03 0.34 -1.35 -1.50 0.00 0.00 178.83 177.46 2ww3 h PRO 603 N -0.05 0.00 -0.03 1.46 0.11 -1.91 -2.02 132.00 129.56 2ww3 h PRO 603 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2ww3 h PRO 603 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2ww3 h PRO 603 CO -0.71 0.00 -0.09 1.51 -0.21 0.00 0.00 178.00 178.50 2ww3 n ILE 604 N -3.58 0.00 0.21 4.15 3.06 -0.58 -4.58 119.36 118.04 2ww3 n ILE 604 Ca 0.04 -0.42 0.08 0.00 -2.50 0.00 0.00 62.75 59.95 2ww3 n ILE 604 Cb 0.47 1.31 0.45 0.00 0.54 0.00 0.00 39.64 42.41 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 3.93 0.00 -0.01 9.51 4.20 -1.41 -1.02 115.11 130.31 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 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2ww3 h GLN 605 CO 0.00 0.28 -0.23 -2.39 -0.67 0.00 0.00 178.83 175.82 2ww3 n HIS 606 N -3.58 0.00 -0.05 2.96 1.44 -1.26 -4.61 115.22 110.13 2ww3 n HIS 606 Ca -0.01 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.62 2ww3 n HIS 606 Cb 0.42 -0.16 -0.02 0.00 0.12 0.00 0.00 29.99 30.35 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 0.90 -0.05 -0.87 -1.40 -1.53 -1.48 -2.34 114.93 108.17 2ww3 h MET 607 Ca 0.00 0.00 0.13 0.00 -3.44 0.00 0.00 59.70 56.39 2ww3 h MET 607 Cb 0.47 0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.46 2ww3 h MET 607 CO 0.00 -0.03 0.56 0.82 0.14 0.00 0.00 176.91 178.40 2ww3 h ILE 608 N -0.05 0.87 0.00 1.77 2.04 -1.81 0.38 117.51 120.71 2ww3 h ILE 608 Ca 0.11 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2ww3 h ILE 608 Cb 0.22 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2ww3 h ILE 608 CO -0.25 0.13 -0.00 1.88 0.00 0.00 0.00 178.15 179.90 2ww3 h TYR 609 N 0.73 0.00 0.00 1.37 -1.99 -1.75 -1.91 116.97 113.42 2ww3 h TYR 609 Ca 0.43 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.16 2ww3 h TYR 609 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.35 2ww3 h TYR 609 CO -0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.09 2ww3 h LEU 610 N 0.00 0.00 -1.26 3.88 3.38 -0.94 -1.24 115.31 119.13 2ww3 h LEU 610 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 2ww3 h LEU 610 Cb 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 2ww3 h LEU 610 CO 0.00 0.00 0.60 1.88 0.09 0.00 0.00 178.44 181.01 2ww3 h TYR 611 N 0.00 0.83 -0.89 1.13 0.05 -1.48 -1.39 116.97 115.22 2ww3 h TYR 611 Ca 0.00 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.86 2ww3 h TYR 611 Cb 0.13 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 37.55 2ww3 h TYR 611 CO 0.00 0.24 0.56 -0.44 -1.05 0.00 0.00 178.16 177.47 2ww3 h ASP 612 N 0.64 0.90 0.74 3.88 5.19 -1.44 -1.90 116.42 124.42 2ww3 h ASP 612 Ca 0.50 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 2ww3 h ASP 612 Cb 0.92 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2ww3 h ASP 612 CO -0.25 0.58 0.00 -1.22 -3.12 0.00 0.00 179.24 175.23 2ww3 n TYR 613 N -4.58 0.40 -0.92 4.55 4.02 -0.53 -1.67 117.16 118.42 2ww3 n TYR 613 Ca 0.12 0.15 0.08 0.00 -0.01 0.00 0.00 57.90 58.24 2ww3 n TYR 613 Cb 0.15 -0.74 0.27 0.00 -0.02 0.00 0.00 39.34 39.01 2ww3 n TYR 613 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ww3 n ALA 614 N -1.63 3.06 -2.52 -0.72 0.00 -0.77 -4.92 120.51 113.00 2ww3 n ALA 614 Ca 0.04 -2.17 -0.19 0.00 0.00 0.00 0.00 53.44 51.12 2ww3 n ALA 614 Cb 0.24 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.26 -0.38 2.56 0.00 0.00 -0.67 -4.91 105.19 101.53 2ww3 n GLY 615 Ca 0.22 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.02 2.10 0.24 1.61 6.02 -0.87 -4.65 117.38 118.81 2ww3 n GLN 616 Ca -0.18 -4.13 0.15 0.00 -0.01 0.00 0.00 57.00 52.83 2ww3 n GLN 616 Cb 0.65 -1.97 0.81 0.00 1.02 0.00 0.00 30.24 30.75 2ww3 n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ww3 h PRO 617 N 3.03 0.00 0.00 -1.09 0.13 -1.84 -1.53 132.00 130.70 2ww3 h PRO 617 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.21 2ww3 h PRO 617 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 2ww3 h PRO 617 CO 0.66 0.00 -0.17 0.11 -0.23 0.00 0.00 178.00 178.37 2ww3 h TRP 618 N 0.00 0.00 -0.16 1.56 0.09 -1.90 -0.40 115.95 115.14 2ww3 h TRP 618 Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 58.89 58.83 2ww3 h TRP 618 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.48 2ww3 h TRP 618 CO 0.00 0.17 -0.69 0.87 0.09 0.00 0.00 178.44 178.87 2ww3 h LYS 619 N 0.00 0.67 -0.52 0.12 1.57 -1.67 -2.17 116.57 114.58 2ww3 h LYS 619 Ca -0.00 -0.50 0.02 0.00 -1.87 0.00 0.00 60.65 58.29 2ww3 h LYS 619 Cb 0.32 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2ww3 h LYS 619 CO 0.02 1.12 0.32 0.00 -0.57 0.00 0.00 179.45 180.35 2ww3 h ALA 620 N 0.74 0.66 -0.90 3.86 0.00 -1.30 -0.76 119.26 121.56 2ww3 h ALA 620 Ca -0.03 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2ww3 h ALA 620 Cb 1.29 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2ww3 h ALA 620 CO 0.14 0.05 0.56 1.96 0.00 0.00 0.00 179.25 181.95 2ww3 h GLN 621 N 0.65 0.95 0.04 0.00 4.20 -0.94 0.81 115.11 120.81 2ww3 h GLN 621 Ca 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2ww3 h GLN 621 Cb -0.01 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.55 2ww3 h GLN 621 CO -0.08 0.63 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.78 2ww3 h TYR 622 N 0.98 -0.04 -0.30 2.96 3.20 -0.70 -2.64 116.97 120.42 2ww3 h TYR 622 Ca 0.41 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.11 2ww3 h TYR 622 Cb 0.26 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 2ww3 h TYR 622 CO -0.03 0.35 -0.49 -1.49 -1.64 0.00 0.00 178.16 174.86 2ww3 h TRP 623 N -0.45 1.08 -0.63 -3.82 4.06 -0.95 -2.50 115.95 112.75 2ww3 h TRP 623 Ca -0.00 -0.37 0.04 0.00 2.06 0.00 0.00 58.89 60.62 2ww3 h TRP 623 Cb 0.42 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 28.32 2ww3 h TRP 623 CO 0.06 1.20 0.36 -0.07 -3.56 0.00 0.00 178.44 176.43 2ww3 h LEU 624 N 0.66 0.57 -0.52 -4.49 3.38 -0.90 -0.45 115.31 113.55 2ww3 h LEU 624 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2ww3 h LEU 624 Cb 1.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2ww3 h LEU 624 CO 0.11 0.38 0.24 -0.09 0.09 0.00 0.00 178.44 179.18 2ww3 h ARG 625 N 0.70 0.76 -0.83 1.13 9.65 -1.42 0.10 114.38 124.47 2ww3 h ARG 625 Ca 0.27 -0.12 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 2ww3 h ARG 625 Cb 0.10 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.48 2ww3 h ARG 625 CO -0.14 0.64 0.49 1.96 2.80 0.00 0.00 179.97 185.72 2ww3 h GLN 626 N 0.70 0.84 0.20 0.20 1.08 -0.95 0.60 115.11 117.78 2ww3 h GLN 626 Ca 0.18 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2ww3 h GLN 626 Cb 0.14 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2ww3 h GLN 626 CO -0.02 0.55 -0.10 0.28 -0.95 0.00 0.00 178.83 178.60 2ww3 h VAL 627 N 0.86 0.88 -0.96 -0.54 2.07 -0.25 -0.28 116.25 118.04 2ww3 h VAL 627 Ca 0.38 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.52 2ww3 h VAL 627 Cb 0.27 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 2ww3 h VAL 627 CO -0.21 0.11 0.59 0.24 0.02 0.00 0.00 177.57 178.33 2ww3 h MET 628 N -0.52 0.93 0.01 1.57 2.86 -0.56 0.28 114.93 119.49 2ww3 h MET 628 Ca -0.03 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.34 2ww3 h MET 628 Cb 0.39 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2ww3 h MET 628 CO 0.05 0.61 -0.94 -0.44 1.06 0.00 0.00 176.91 177.25 2ww3 h ASP 629 N 0.95 0.41 0.00 1.22 3.32 -0.83 -3.38 116.42 118.11 2ww3 h ASP 629 Ca 0.47 -0.34 -0.28 0.00 0.02 0.00 0.00 57.03 56.91 2ww3 h ASP 629 Cb 0.45 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2ww3 h ASP 629 CO -0.26 1.14 -2.06 0.54 -1.72 0.00 0.00 179.24 176.88 2ww3 n ARG 630 N -3.69 0.50 0.00 3.56 1.74 -0.12 -4.65 116.66 114.00 2ww3 n ARG 630 Ca -0.05 0.10 0.13 0.00 -0.77 0.00 0.00 57.85 57.26 2ww3 n ARG 630 Cb 0.84 -1.37 0.42 0.00 -1.02 0.00 0.00 32.46 31.32 2ww3 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww3 n MET 631 N -3.03 1.00 -4.02 5.56 2.81 0.94 -4.72 117.12 115.66 2ww3 n MET 631 Ca -0.33 -0.58 -0.24 0.00 -1.81 0.00 0.00 57.70 54.74 2ww3 n MET 631 Cb 0.85 -1.49 -0.17 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.40 1.13 0.21 2.03 1.51 -1.25 -3.31 117.35 115.27 2ww3 s TYR 632 Ca 0.27 -0.46 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 2ww3 s TYR 632 Cb 0.20 -0.99 -0.05 0.00 -0.11 0.00 0.00 41.96 41.01 2ww3 s TYR 632 CO 0.48 -0.37 -0.15 0.95 -1.11 0.00 0.00 175.55 175.35 2ww3 s THR 633 N 1.47 1.80 -2.09 -0.71 -4.23 0.65 -4.81 115.64 107.72 2ww3 s THR 633 Ca -0.01 -2.21 0.29 0.00 -1.18 0.00 0.00 61.69 58.58 2ww3 s THR 633 Cb -0.13 -2.05 0.62 0.00 1.34 0.00 0.00 72.50 72.27 2ww3 s THR 633 CO -0.04 -0.56 1.91 -0.81 -0.54 0.00 0.00 174.62 174.57 2ww3 n PRO 634 N -0.36 1.17 -1.98 3.99 -0.04 -1.26 -4.16 135.00 132.36 2ww3 n PRO 634 Ca -0.08 -0.46 -0.22 0.00 -0.04 0.00 0.00 63.50 62.70 2ww3 n PRO 634 Cb 0.60 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.70 2ww3 n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww3 n GLY 635 N 1.16 -0.27 0.33 0.55 0.00 -1.26 -4.79 105.19 100.92 2ww3 n GLY 635 Ca 0.19 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.47 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 0.11 -2.04 1.61 0.11 -1.93 -1.65 132.00 128.21 2ww3 h PRO 636 Ca -0.32 -0.01 -0.77 0.00 0.11 0.00 0.00 66.00 65.02 2ww3 h PRO 636 Cb 1.02 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 31.84 2ww3 h PRO 636 CO 0.28 0.07 1.06 -0.40 -0.21 0.00 0.00 178.00 178.80 2ww3 n ASP 637 N -4.45 7.49 0.09 -2.05 3.85 -1.26 0.06 116.55 120.28 2ww3 n ASP 637 Ca 0.06 -3.80 -0.06 0.00 -0.71 0.00 0.00 54.79 50.28 2ww3 n ASP 637 Cb 0.37 -1.09 0.02 0.00 -1.35 0.00 0.00 41.12 39.07 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 3.21 0.07 -2.10 6.12 0.00 -1.39 -3.45 103.07 105.53 2ww3 h GLY 638 Ca 0.56 -0.13 -0.43 0.00 0.00 0.00 0.00 47.33 47.33 2ww3 h GLY 638 CO 1.39 0.11 -0.14 -0.19 0.00 0.00 0.00 176.54 177.72 2ww3 s TYR 639 N -3.19 2.77 -2.41 5.60 1.51 -0.55 -0.25 117.35 120.83 2ww3 s TYR 639 Ca -0.01 -0.22 0.20 0.00 -1.01 0.00 0.00 57.07 56.04 2ww3 s TYR 639 Cb 0.11 -2.57 0.24 0.00 -0.11 0.00 0.00 41.96 39.63 2ww3 s TYR 639 CO 0.80 -0.69 1.21 0.00 -1.11 0.00 0.00 175.55 175.77 2ww3 n GLY 641 N 1.20 -1.23 3.75 0.00 0.00 -1.22 -4.72 105.19 102.97 2ww3 n GLY 641 Ca 0.14 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 2ww3 n GLY 641 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ww3 n ASP 642 N 0.04 3.48 -0.05 1.61 9.92 -1.26 -2.04 116.55 128.24 2ww3 n ASP 642 Ca 0.00 1.21 -0.15 0.00 -0.53 0.00 0.00 54.79 55.32 2ww3 n ASP 642 Cb 0.00 -1.58 -0.07 0.00 -0.64 0.00 0.00 41.12 38.83 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 2.78 0.63 -4.70 -1.24 4.22 -0.78 -3.44 114.58 112.05 2ww3 h GLU 643 Ca -0.50 -0.44 -0.21 0.00 0.08 0.00 0.00 59.36 58.29 2ww3 h GLU 643 Cb 1.26 0.07 0.13 0.00 0.50 0.00 0.00 28.75 30.71 2ww3 h GLU 643 CO 0.63 1.06 -0.59 -0.25 -2.18 0.00 0.00 179.01 177.69 2ww3 n ASP 644 N -4.19 -3.45 -1.83 1.04 8.00 -1.26 -1.70 116.55 113.16 2ww3 n ASP 644 Ca -0.06 -0.48 -0.19 0.00 0.71 0.00 0.00 54.79 54.77 2ww3 n ASP 644 Cb 0.58 -3.88 -0.04 0.00 -0.02 0.00 0.00 41.12 37.76 2ww3 n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ww3 n ASN 645 N -2.63 -5.39 0.00 -2.24 4.13 -1.26 -2.35 115.26 105.51 2ww3 n ASN 645 Ca -0.14 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.33 2ww3 n ASN 645 Cb 0.61 -4.50 0.00 0.00 -1.54 0.00 0.00 39.78 34.35 2ww3 n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww3 n GLY 646 N -0.84 1.51 0.33 7.41 0.00 -1.25 -4.48 105.19 107.88 2ww3 n GLY 646 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.69 -0.09 1.61 5.75 -1.55 0.98 115.11 121.12 2ww3 h GLN 647 Ca 0.00 0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2ww3 h GLN 647 Cb 0.00 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2ww3 h GLN 647 CO 0.00 -0.46 -0.28 1.15 -2.65 0.00 0.00 178.83 176.59 2ww3 h THR 648 N -0.71 1.24 -0.05 2.39 2.02 -1.56 -1.80 112.91 114.43 2ww3 h THR 648 Ca -0.05 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 65.95 2ww3 h THR 648 Cb 0.59 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2ww3 h THR 648 CO 0.05 0.34 -0.14 0.28 0.37 0.00 0.00 175.52 176.42 2ww3 h SER 649 N 0.15 0.21 0.20 4.18 0.02 -1.66 -3.15 113.55 113.50 2ww3 h SER 649 Ca 0.02 -0.60 -0.04 0.00 -0.84 0.00 0.00 61.79 60.33 2ww3 h SER 649 Cb 0.58 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2ww3 h SER 649 CO 0.04 0.78 -0.18 0.00 -1.14 0.00 0.00 176.83 176.33 2ww3 h ALA 650 N 0.44 1.65 -0.71 3.77 0.00 0.11 -1.31 119.26 123.20 2ww3 h ALA 650 Ca -0.00 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2ww3 h ALA 650 Cb 0.75 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2ww3 h ALA 650 CO 0.03 0.23 0.44 2.35 0.00 0.00 0.00 179.25 182.30 2ww3 h TRP 651 N 0.00 0.83 -0.21 0.00 7.01 -1.31 0.48 115.95 122.76 2ww3 h TRP 651 Ca -0.00 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2ww3 h TRP 651 Cb 0.33 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2ww3 h TRP 651 CO 0.00 0.47 -0.01 -0.92 -2.79 0.00 0.00 178.44 175.19 2ww3 h TYR 652 N 0.86 0.41 0.11 2.65 5.03 -1.27 0.54 116.97 125.30 2ww3 h TYR 652 Ca 0.28 -0.07 0.02 0.00 2.58 0.00 0.00 58.73 61.54 2ww3 h TYR 652 Cb 0.02 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 2ww3 h TYR 652 CO -0.04 0.58 -0.24 0.28 -1.32 0.00 0.00 178.16 177.42 2ww3 h VAL 653 N 0.12 0.47 -0.21 1.81 2.07 -0.64 0.19 116.25 120.06 2ww3 h VAL 653 Ca 0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2ww3 h VAL 653 Cb 0.42 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2ww3 h VAL 653 CO 0.01 0.00 0.01 -0.26 0.02 0.00 0.00 177.57 177.36 2ww3 h PHE 654 N -0.43 0.02 -0.61 1.57 0.04 -0.95 -2.54 116.94 114.03 2ww3 h PHE 654 Ca 0.03 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 2ww3 h PHE 654 Cb 0.46 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 2ww3 h PHE 654 CO -0.22 -0.01 0.19 0.77 -0.60 0.00 0.00 178.31 178.43 2ww3 h SER 655 N 0.09 0.86 -0.30 2.17 0.02 -0.17 -1.05 113.55 115.17 2ww3 h SER 655 Ca 0.10 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2ww3 h SER 655 Cb 0.12 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2ww3 h SER 655 CO -0.16 0.81 0.05 0.00 -1.14 0.00 0.00 176.83 176.39 2ww3 h ALA 656 N 1.31 1.35 0.00 3.77 0.00 -0.45 0.30 119.26 125.54 2ww3 h ALA 656 Ca 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2ww3 h ALA 656 Cb 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ww3 h ALA 656 CO -0.01 0.45 -0.21 -0.07 0.00 0.00 0.00 179.25 179.41 2ww3 h LEU 657 N 0.58 0.00 0.00 0.00 3.38 -0.79 0.23 115.31 118.71 2ww3 h LEU 657 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ww3 h LEU 657 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2ww3 h LEU 657 CO 0.00 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.36 2ww3 n GLY 658 N -0.65 1.22 3.48 0.83 0.00 0.09 -4.36 105.19 105.80 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 -0.07 -0.18 1.61 -0.12 -1.13 0.27 117.98 116.37 2ww3 s PHE 659 Ca 0.00 -0.27 -0.13 0.00 -0.05 0.00 0.00 56.93 56.48 2ww3 s PHE 659 Cb 0.00 0.33 0.05 0.00 -0.63 0.00 0.00 43.02 42.77 2ww3 s PHE 659 CO 0.00 -0.87 0.45 -0.47 -0.05 0.00 0.00 175.22 174.28 2ww3 s TYR 660 N -3.88 -0.58 -1.21 3.49 6.14 -0.05 -3.94 117.35 117.31 2ww3 s TYR 660 Ca 0.09 1.31 -0.17 0.00 0.64 0.00 0.00 57.07 58.94 2ww3 s TYR 660 Cb -0.00 0.24 -0.02 0.00 0.42 0.00 0.00 41.96 42.59 2ww3 s TYR 660 CO -0.03 -0.30 2.06 -0.35 0.64 0.00 0.00 175.55 177.56 2ww3 n PRO 661 N 3.49 2.40 -0.31 4.97 -0.04 -1.26 0.17 135.00 144.42 2ww3 n PRO 661 Ca -0.18 -2.45 0.16 0.00 -0.04 0.00 0.00 63.50 61.00 2ww3 n PRO 661 Cb 0.56 -3.23 0.35 0.00 -0.04 0.00 0.00 33.50 31.14 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 4.48 0.36 -2.56 0.52 2.07 -1.86 -3.32 116.25 115.94 2ww3 h VAL 662 Ca 0.49 -0.11 -0.60 0.00 0.82 0.00 0.00 66.70 67.30 2ww3 h VAL 662 Cb 0.70 0.03 -0.40 0.00 -1.52 0.00 0.00 31.29 30.09 2ww3 h VAL 662 CO 1.82 0.06 -0.81 0.00 0.02 0.00 0.00 177.57 178.65 2ww3 n PRO 664 N 2.15 1.41 0.00 0.00 -0.02 -1.25 -1.44 135.00 135.85 2ww3 n PRO 664 Ca 0.25 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2ww3 n PRO 664 Cb 0.43 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.17 2.41 4.00 -1.23 0.00 -1.26 -4.85 105.19 105.43 2ww3 n GLY 665 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2ww3 n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww3 s THR 666 N -2.49 2.15 -0.25 2.61 -4.23 -0.52 -4.87 115.64 108.04 2ww3 s THR 666 Ca 0.00 -0.64 0.13 0.00 -1.18 0.00 0.00 61.69 60.01 2ww3 s THR 666 Cb 0.00 -2.51 0.61 0.00 1.34 0.00 0.00 72.50 71.94 2ww3 s THR 666 CO 0.00 0.00 1.57 -0.90 -0.54 0.00 0.00 174.62 174.75 2ww3 n ASP 667 N -2.77 4.07 -4.60 3.99 5.75 -1.26 -4.98 116.55 116.75 2ww3 n ASP 667 Ca 0.15 -3.21 -0.31 0.00 -0.01 0.00 0.00 54.79 51.41 2ww3 n ASP 667 Cb 0.61 -0.63 -0.10 0.00 -1.03 0.00 0.00 41.12 39.97 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 -2.95 2.34 -0.12 0.11 2.02 -1.26 -0.49 118.70 118.34 2ww3 s GLU 668 Ca 0.48 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.60 2ww3 s GLU 668 Cb 0.39 -2.41 0.01 0.00 0.10 0.00 0.00 34.13 32.22 2ww3 s GLU 668 CO 0.09 0.54 -0.22 0.71 0.02 0.00 0.00 175.26 176.41 2ww3 s TYR 669 N -1.16 2.57 0.05 1.61 1.51 -0.25 -4.56 117.35 117.11 2ww3 s TYR 669 Ca 0.21 -1.21 -0.19 0.00 -1.01 0.00 0.00 57.07 54.87 2ww3 s TYR 669 Cb -0.11 -1.74 -0.06 0.00 -0.11 0.00 0.00 41.96 39.93 2ww3 s TYR 669 CO 0.12 -0.53 0.56 0.08 -1.11 0.00 0.00 175.55 174.67 2ww3 s VAL 670 N 0.66 4.81 0.08 0.71 1.01 0.13 0.14 120.40 127.94 2ww3 s VAL 670 Ca -0.11 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.75 2ww3 s VAL 670 Cb -0.16 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2ww3 s VAL 670 CO 0.02 0.52 1.16 -0.32 0.00 0.00 0.00 175.10 176.48 2ww3 s MET 671 N -0.85 4.47 0.00 2.72 1.75 0.59 -0.87 119.30 127.11 2ww3 s MET 671 Ca 0.29 1.73 0.00 0.00 -1.25 0.00 0.00 55.69 56.46 2ww3 s MET 671 Cb -0.19 -3.34 0.00 0.00 2.84 0.00 0.00 34.83 34.14 2ww3 s MET 671 CO 0.18 -0.18 0.00 0.41 -0.65 0.00 0.00 175.02 174.78 2ww3 n GLY 672 N 2.98 1.00 3.31 2.11 0.00 0.14 -4.92 105.19 109.81 2ww3 n GLY 672 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 2.41 -0.30 0.65 2.61 -1.32 -1.23 -4.69 115.64 113.76 2ww3 s THR 673 Ca 0.00 0.11 -0.16 0.00 -1.21 0.00 0.00 61.69 60.43 2ww3 s THR 673 Cb 0.00 -0.68 -0.00 0.00 -1.51 0.00 0.00 72.50 70.31 2ww3 s THR 673 CO 0.00 0.05 1.16 -2.16 -2.21 0.00 0.00 174.62 171.46 2ww3 s PRO 674 N 1.95 2.71 -0.17 7.08 0.04 -1.26 -4.28 135.00 141.07 2ww3 s PRO 674 Ca -0.06 1.62 0.10 0.00 0.04 0.00 0.00 61.00 62.70 2ww3 s PRO 674 Cb -0.10 -1.92 -0.23 0.00 0.04 0.00 0.00 34.50 32.30 2ww3 s PRO 674 CO -0.14 -1.36 0.19 -0.11 0.04 0.00 0.00 177.00 175.62 2ww3 n LEU 675 N -2.18 1.16 -4.93 -3.56 7.94 0.81 -4.91 117.00 111.33 2ww3 n LEU 675 Ca 0.12 0.10 -0.22 0.00 -1.11 0.00 0.00 56.01 54.90 2ww3 n LEU 675 Cb 0.51 -0.07 -0.03 0.00 0.53 0.00 0.00 43.42 44.36 2ww3 n LEU 675 CO 0.46 0.61 -0.08 -0.36 -1.11 0.00 0.00 177.39 176.91 2ww3 s PHE 676 N -2.53 3.37 0.42 1.96 0.08 -1.26 -4.85 117.98 115.16 2ww3 s PHE 676 Ca -0.15 -0.03 0.17 0.00 0.12 0.00 0.00 56.93 57.04 2ww3 s PHE 676 Cb 0.07 -1.54 1.03 0.00 -0.57 0.00 0.00 43.02 42.01 2ww3 s PHE 676 CO 0.77 0.47 1.96 0.87 -0.10 0.00 0.00 175.22 179.19 2ww3 h LYS 677 N 1.38 0.00 -2.65 0.44 1.57 -1.35 -3.42 116.57 112.53 2ww3 h LYS 677 Ca -0.51 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.16 2ww3 h LYS 677 Cb 1.23 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.28 2ww3 h LYS 677 CO 0.62 0.22 -0.26 0.21 -0.57 0.00 0.00 179.45 179.67 2ww3 s LYS 678 N -4.41 0.44 0.03 3.15 2.20 -1.02 -0.65 119.74 119.48 2ww3 s LYS 678 Ca -0.03 0.73 0.03 0.00 -0.36 0.00 0.00 55.97 56.34 2ww3 s LYS 678 Cb 0.15 0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2ww3 s LYS 678 CO 0.68 -0.12 -0.11 0.00 -0.36 0.00 0.00 175.35 175.44 2ww3 s ALA 679 N 0.99 0.86 -0.07 3.13 0.00 -0.87 0.39 121.76 126.20 2ww3 s ALA 679 Ca -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2ww3 s ALA 679 Cb -0.06 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2ww3 s ALA 679 CO -0.08 0.14 -0.08 0.99 0.00 0.00 0.00 175.76 176.74 2ww3 s THR 680 N -0.77 0.83 -0.13 0.00 2.01 0.40 -0.68 115.64 117.31 2ww3 s THR 680 Ca -0.01 -0.27 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 2ww3 s THR 680 Cb -0.07 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 2ww3 s THR 680 CO 0.01 0.30 0.11 -0.76 -0.69 0.00 0.00 174.62 173.59 2ww3 s LEU 681 N 1.02 4.22 -0.35 4.42 1.43 0.97 -1.53 118.68 128.86 2ww3 s LEU 681 Ca -0.09 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 2ww3 s LEU 681 Cb -0.14 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.13 2ww3 s LEU 681 CO -0.00 0.37 0.09 -1.00 0.23 0.00 0.00 176.35 176.04 2ww3 s HIS 682 N -0.79 3.49 0.67 0.29 3.76 0.20 -0.52 115.29 122.40 2ww3 s HIS 682 Ca 0.13 -2.33 -0.11 0.00 -0.15 0.00 0.00 55.06 52.61 2ww3 s HIS 682 Cb -0.12 -2.73 -0.01 0.00 1.11 0.00 0.00 32.58 30.84 2ww3 s HIS 682 CO 0.03 -0.91 1.06 -0.06 -0.85 0.00 0.00 174.74 174.02 2ww3 s PHE 683 N 1.14 3.39 0.36 1.40 0.08 -0.39 -4.84 117.98 119.11 2ww3 s PHE 683 Ca 0.03 1.21 0.07 0.00 0.12 0.00 0.00 56.93 58.36 2ww3 s PHE 683 Cb -0.21 -2.90 0.70 0.00 -0.57 0.00 0.00 43.02 40.04 2ww3 s PHE 683 CO -0.04 -1.03 1.90 0.93 -0.10 0.00 0.00 175.22 176.89 2ww3 h GLU 684 N -0.55 0.39 0.00 0.44 5.08 -1.86 -1.91 114.58 116.16 2ww3 h GLU 684 Ca -0.45 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2ww3 h GLU 684 Cb 1.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2ww3 h GLU 684 CO 0.62 0.46 0.00 0.27 -1.00 0.00 0.00 179.01 179.36 2ww3 n ASN 685 N -4.29 0.00 0.00 1.42 2.04 -1.26 -4.83 115.26 108.35 2ww3 n ASN 685 Ca 0.00 0.01 0.00 0.00 -0.44 0.00 0.00 54.58 54.16 2ww3 n ASN 685 Cb 0.25 -0.23 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 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 -0.25 0.72 3.93 4.83 0.00 -0.72 -5.07 105.19 108.65 2ww3 n GLY 686 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2ww3 n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww3 s ASN 687 N -2.86 5.30 0.05 1.61 0.01 -1.26 -4.89 114.94 112.90 2ww3 s ASN 687 Ca 0.00 0.51 0.01 0.00 -0.71 0.00 0.00 52.86 52.66 2ww3 s ASN 687 Cb 0.00 -1.38 -0.03 0.00 0.41 0.00 0.00 41.25 40.25 2ww3 s ASN 687 CO 0.00 -1.24 -0.05 -0.44 -1.51 0.00 0.00 177.10 173.86 2ww3 s SER 688 N -4.39 0.66 -0.08 -1.22 0.01 -1.26 -1.26 113.70 106.16 2ww3 s SER 688 Ca 0.56 -0.77 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2ww3 s SER 688 Cb -0.11 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.26 2ww3 s SER 688 CO 0.44 -0.40 -0.08 -0.22 0.41 0.00 0.00 173.24 173.39 2ww3 s LEU 689 N -2.26 1.35 -0.25 2.44 2.96 0.32 -0.40 118.68 122.84 2ww3 s LEU 689 Ca -0.02 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.56 2ww3 s LEU 689 Cb -0.01 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 2ww3 s LEU 689 CO -0.04 -0.05 0.11 -0.69 -1.32 0.00 0.00 176.35 174.36 2ww3 s VAL 690 N 1.15 4.72 -0.49 1.68 1.01 0.18 -0.02 120.40 128.63 2ww3 s VAL 690 Ca -0.06 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 2ww3 s VAL 690 Cb -0.14 -3.21 0.06 0.00 0.00 0.00 0.00 36.38 33.09 2ww3 s VAL 690 CO -0.01 0.33 0.55 -0.63 0.00 0.00 0.00 175.10 175.34 2ww3 s ILE 691 N 1.45 4.98 -0.42 2.22 1.09 0.14 -0.33 121.20 130.34 2ww3 s ILE 691 Ca 0.06 -0.63 -0.09 0.00 -1.10 0.00 0.00 60.65 58.89 2ww3 s ILE 691 Cb -0.15 -4.24 0.08 0.00 -1.06 0.00 0.00 42.46 37.09 2ww3 s ILE 691 CO 0.05 -0.72 0.26 -0.62 -0.10 0.00 0.00 174.94 173.82 2ww3 s ASP 692 N 2.60 5.65 -0.56 3.58 3.68 0.06 -2.05 116.67 129.63 2ww3 s ASP 692 Ca 0.12 -1.49 0.06 0.00 2.13 0.00 0.00 52.55 53.37 2ww3 s ASP 692 Cb -0.20 -1.99 0.23 0.00 -1.45 0.00 0.00 42.92 39.51 2ww3 s ASP 692 CO 0.11 -0.53 0.60 0.00 0.13 0.00 0.00 175.17 175.47 2ww3 n ALA 693 N 4.92 3.38 0.34 3.66 0.00 0.18 -1.03 120.51 131.95 2ww3 n ALA 693 Ca -0.10 -4.18 0.12 0.00 0.00 0.00 0.00 53.44 49.29 2ww3 n ALA 693 Cb 0.43 -0.88 0.55 0.00 0.00 0.00 0.00 19.45 19.55 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 4.47 0.00 -0.25 0.00 0.13 -1.75 -2.07 132.00 132.53 2ww3 h PRO 694 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2ww3 h PRO 694 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2ww3 h PRO 694 CO 0.66 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.72 2ww3 n ASN 695 N -2.34 2.91 -4.68 1.44 5.15 -1.26 -4.97 115.26 111.51 2ww3 n ASN 695 Ca 0.01 -1.91 -0.41 0.00 -0.60 0.00 0.00 54.58 51.67 2ww3 n ASN 695 Cb 0.19 -0.15 0.01 0.00 -0.53 0.00 0.00 39.78 39.30 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 1.16 2.26 -3.04 1.20 2.85 -0.78 -4.77 115.26 114.15 2ww3 n ASN 696 Ca 0.18 1.09 -0.04 0.00 -0.11 0.00 0.00 54.58 55.69 2ww3 n ASN 696 Cb 0.54 -1.47 0.02 0.00 1.24 0.00 0.00 39.78 40.11 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 0.24 -1.75 -0.26 1.20 3.41 -1.25 -4.83 113.62 110.38 2ww3 n SER 697 Ca 0.07 -2.00 0.17 0.00 -0.26 0.00 0.00 58.87 56.86 2ww3 n SER 697 Cb 0.40 2.86 0.46 0.00 -0.26 0.00 0.00 64.21 67.67 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 1.92 0.71 0.00 6.66 2.02 -1.96 -2.70 112.91 119.57 2ww3 h THR 698 Ca -0.27 -0.17 -0.18 0.00 0.77 0.00 0.00 66.41 66.56 2ww3 h THR 698 Cb 1.13 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2ww3 h THR 698 CO 0.35 0.09 -2.04 -0.62 0.37 0.00 0.00 175.52 173.67 2ww3 n GLU 699 N -4.55 0.66 -2.67 6.66 4.71 -1.26 -4.66 120.64 119.53 2ww3 n GLU 699 Ca 0.19 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.16 56.88 2ww3 n GLU 699 Cb 0.64 -1.57 0.01 0.00 -1.01 0.00 0.00 31.44 29.50 2ww3 n GLU 699 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2ww3 n ASN 700 N -2.58 6.49 -0.00 1.62 5.03 -1.02 -4.14 115.26 120.66 2ww3 n ASN 700 Ca -0.17 -3.37 0.10 0.00 0.87 0.00 0.00 54.58 52.01 2ww3 n ASN 700 Cb 0.86 -1.31 -0.12 0.00 -1.02 0.00 0.00 39.78 38.19 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 1.66 0.00 -2.96 3.10 1.16 -1.10 -3.92 117.46 115.39 2ww3 n PHE 701 Ca 0.37 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.61 2ww3 n PHE 701 Cb 0.31 -0.03 -0.06 0.00 -1.61 0.00 0.00 39.48 38.09 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 -3.01 3.43 -0.37 2.97 2.02 -0.51 -4.81 117.35 117.06 2ww3 s TYR 702 Ca 0.07 1.47 -0.16 0.00 -0.37 0.00 0.00 57.07 58.07 2ww3 s TYR 702 Cb 0.16 -2.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 2ww3 s TYR 702 CO 0.86 0.06 0.39 0.42 -1.57 0.00 0.00 175.55 175.72 2ww3 s ILE 703 N -1.95 5.14 -0.12 2.71 1.01 -1.26 -0.73 121.20 125.99 2ww3 s ILE 703 Ca 0.55 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.86 2ww3 s ILE 703 Cb -0.12 -3.91 -0.27 0.00 0.01 0.00 0.00 42.46 38.17 2ww3 s ILE 703 CO 0.17 -0.23 0.66 -0.78 0.00 0.00 0.00 174.94 174.76 2ww3 h ASP 704 N 8.57 0.23 -5.68 3.58 3.58 -1.32 -3.40 116.42 121.98 2ww3 h ASP 704 Ca -0.28 -0.87 -0.32 0.00 0.42 0.00 0.00 57.03 55.98 2ww3 h ASP 704 Cb 1.13 -0.07 -0.14 0.00 1.72 0.00 0.00 39.33 41.97 2ww3 h ASP 704 CO 0.74 1.35 -0.54 -0.94 -2.88 0.00 0.00 179.24 176.96 2ww3 s SER 705 N -6.74 0.70 -0.28 2.28 1.04 -1.22 -4.90 113.70 104.59 2ww3 s SER 705 Ca -0.19 -1.51 -0.18 0.00 0.48 0.00 0.00 55.95 54.55 2ww3 s SER 705 Cb 0.01 0.46 0.10 0.00 0.10 0.00 0.00 66.02 66.69 2ww3 s SER 705 CO 0.73 -0.95 0.78 -0.32 0.98 0.00 0.00 173.24 174.47 2ww3 s MET 706 N -3.86 0.65 0.04 4.02 1.75 -1.26 -2.09 119.30 118.54 2ww3 s MET 706 Ca 0.39 1.02 0.03 0.00 -1.25 0.00 0.00 55.69 55.88 2ww3 s MET 706 Cb 0.05 0.18 -0.02 0.00 2.84 0.00 0.00 34.83 37.88 2ww3 s MET 706 CO 0.18 -0.12 -0.10 -1.54 -0.65 0.00 0.00 175.02 172.79 2ww3 s SER 707 N 1.25 1.10 -0.21 1.11 1.04 -0.53 0.36 113.70 117.82 2ww3 s SER 707 Ca -0.07 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 55.90 2ww3 s SER 707 Cb -0.05 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.10 2ww3 s SER 707 CO -0.14 -0.09 -0.08 0.12 0.98 0.00 0.00 173.24 174.02 2ww3 s PHE 708 N -1.05 2.33 -1.43 5.02 2.19 -0.90 0.03 117.98 124.18 2ww3 s PHE 708 Ca -0.04 -1.59 -0.06 0.00 0.33 0.00 0.00 56.93 55.57 2ww3 s PHE 708 Cb -0.08 -1.59 0.01 0.00 -1.31 0.00 0.00 43.02 40.05 2ww3 s PHE 708 CO 0.01 -0.74 0.29 0.09 1.83 0.00 0.00 175.22 176.70 2ww3 n ASN 709 N 4.70 -0.53 0.00 6.13 5.03 -0.31 -2.25 115.26 128.04 2ww3 n ASN 709 Ca -0.14 -1.17 0.00 0.00 0.87 0.00 0.00 54.58 54.15 2ww3 n ASN 709 Cb 0.46 -2.25 0.00 0.00 -1.02 0.00 0.00 39.78 36.97 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 -2.25 0.73 3.61 7.41 0.00 -1.26 -4.97 105.19 108.46 2ww3 n GLY 710 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 2ww3 n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww3 s ALA 711 N -2.95 3.52 0.28 4.61 0.00 -0.95 -5.06 121.76 121.21 2ww3 s ALA 711 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.72 2ww3 s ALA 711 Cb 0.00 -2.33 -0.15 0.00 0.00 0.00 0.00 23.12 20.65 2ww3 s ALA 711 CO 0.00 -0.32 0.73 -3.47 0.00 0.00 0.00 175.76 172.70 2ww3 n ASP 712 N 4.56 -0.12 -3.54 0.00 2.03 -1.26 -2.12 116.55 116.10 2ww3 n ASP 712 Ca -0.15 1.10 -0.29 0.00 0.52 0.00 0.00 54.79 55.97 2ww3 n ASP 712 Cb 0.52 -1.12 -0.12 0.00 -0.72 0.00 0.00 41.12 39.67 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 1.10 -1.41 -0.67 5.65 0.16 -4.80 115.29 114.19 2ww3 s HIS 713 Ca 0.61 -1.87 0.25 0.00 0.25 0.00 0.00 55.06 54.31 2ww3 s HIS 713 Cb -0.76 -1.21 0.47 0.00 -1.18 0.00 0.00 32.58 29.90 2ww3 s HIS 713 CO 0.58 -0.82 1.39 0.25 -0.65 0.00 0.00 174.74 175.49 2ww3 n THR 714 N 3.89 0.00 -2.08 0.89 -2.24 -1.26 -4.38 114.28 109.09 2ww3 n THR 714 Ca 0.11 -0.08 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 2ww3 n THR 714 Cb 0.36 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2ww3 n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww3 s LYS 715 N -2.75 3.79 -0.10 -0.78 1.02 -1.26 -3.51 119.74 116.15 2ww3 s LYS 715 Ca 0.17 2.04 0.03 0.00 0.02 0.00 0.00 55.97 58.23 2ww3 s LYS 715 Cb 0.18 -2.58 0.21 0.00 -0.52 0.00 0.00 37.83 35.12 2ww3 s LYS 715 CO 0.63 -0.60 1.06 0.09 -0.92 0.00 0.00 175.35 175.61 2ww3 n ASN 716 N -0.22 2.78 -3.58 2.83 5.03 -0.49 -4.88 115.26 116.73 2ww3 n ASN 716 Ca 0.06 -2.36 -0.12 0.00 0.87 0.00 0.00 54.58 53.03 2ww3 n ASN 716 Cb 0.45 -0.57 -0.05 0.00 -1.02 0.00 0.00 39.78 38.59 2ww3 n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ww3 s TYR 717 N -1.21 -0.35 0.20 3.10 1.13 -1.26 -0.30 117.35 118.67 2ww3 s TYR 717 Ca 0.16 0.22 0.10 0.00 -1.41 0.00 0.00 57.07 56.14 2ww3 s TYR 717 Cb 0.13 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2ww3 s TYR 717 CO 0.04 -0.69 -0.14 -0.51 -2.51 0.00 0.00 175.55 171.74 2ww3 s LEU 718 N -2.38 2.79 -0.16 -3.49 1.43 0.12 -4.92 118.68 112.06 2ww3 s LEU 718 Ca -0.02 -0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 2ww3 s LEU 718 Cb 0.00 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2ww3 s LEU 718 CO -0.07 0.09 0.03 -0.13 0.23 0.00 0.00 176.35 176.50 2ww3 s ARG 719 N -2.94 3.78 0.21 1.70 0.52 -1.26 -1.10 118.95 119.86 2ww3 s ARG 719 Ca 0.25 -0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 2ww3 s ARG 719 Cb -0.08 -3.08 0.19 0.00 0.52 0.00 0.00 34.95 32.50 2ww3 s ARG 719 CO 0.14 0.31 1.59 1.25 0.02 0.00 0.00 175.30 178.61 2ww3 h HIS 720 N 6.52 -0.81 -0.06 -0.53 -0.00 -1.16 -0.35 115.15 118.76 2ww3 h HIS 720 Ca -0.37 0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.07 2ww3 h HIS 720 Cb 1.18 0.46 -0.00 0.00 -0.00 0.00 0.00 27.41 29.04 2ww3 h HIS 720 CO 0.56 -0.37 -0.00 0.93 -0.00 0.00 0.00 177.93 179.05 2ww3 h GLU 721 N -0.10 0.08 -0.03 5.26 3.07 -1.96 -0.41 114.58 120.49 2ww3 h GLU 721 Ca 0.28 -0.01 -0.25 0.00 -0.50 0.00 0.00 59.36 58.88 2ww3 h GLU 721 Cb 0.56 -0.02 0.02 0.00 -0.84 0.00 0.00 28.75 28.47 2ww3 h GLU 721 CO -0.75 0.09 -0.98 -0.44 -1.40 0.00 0.00 179.01 175.53 2ww3 h ASP 722 N 0.08 0.89 -0.44 1.42 3.32 -1.53 -3.07 116.42 117.09 2ww3 h ASP 722 Ca 0.02 -0.68 0.02 0.00 0.02 0.00 0.00 57.03 56.41 2ww3 h ASP 722 Cb 0.06 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2ww3 h ASP 722 CO 0.00 1.48 0.25 -0.07 -1.72 0.00 0.00 179.24 179.18 2ww3 h LEU 723 N 0.41 0.40 -2.02 1.55 3.38 0.00 -2.68 115.31 116.35 2ww3 h LEU 723 Ca -0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2ww3 h LEU 723 Cb 1.62 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 2ww3 h LEU 723 CO 0.19 0.28 -0.08 -0.26 0.09 0.00 0.00 178.44 178.66 2ww3 h PHE 724 N 0.50 0.00 0.00 1.13 -1.00 -1.16 0.31 116.94 116.72 2ww3 h PHE 724 Ca 0.18 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.96 2ww3 h PHE 724 Cb 0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.59 2ww3 h PHE 724 CO -0.08 0.08 0.00 0.87 -1.61 0.00 0.00 178.31 177.58 2ww3 h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.37 -3.44 116.57 114.84 2ww3 h LYS 725 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ww3 h LYS 725 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2ww3 h LYS 725 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 2ww3 n GLY 726 N 0.10 -1.88 0.00 3.86 0.00 0.11 -4.82 105.19 102.56 2ww3 n GLY 726 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2ww3 n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww3 n GLY 727 N 0.00 0.33 2.85 -0.02 0.00 0.46 -4.92 105.19 103.89 2ww3 n GLY 727 Ca 0.00 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 2ww3 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ww3 s THR 728 N 0.00 -0.02 -0.11 2.61 2.01 -1.26 -0.64 115.64 118.23 2ww3 s THR 728 Ca 0.00 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2ww3 s THR 728 Cb 0.00 -0.06 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 2ww3 s THR 728 CO 0.00 0.03 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.23 2ww3 s ILE 729 N 0.44 3.28 -0.17 1.82 1.01 0.55 -1.16 121.20 126.97 2ww3 s ILE 729 Ca -0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 2ww3 s ILE 729 Cb -0.05 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2ww3 s ILE 729 CO -0.01 0.55 -0.01 -0.75 0.00 0.00 0.00 174.94 174.71 2ww3 s LYS 730 N -0.08 3.74 -0.22 2.79 2.47 0.10 -0.76 119.74 127.79 2ww3 s LYS 730 Ca -0.01 -0.48 0.02 0.00 -1.56 0.00 0.00 55.97 53.94 2ww3 s LYS 730 Cb -0.14 -3.01 0.04 0.00 -1.46 0.00 0.00 37.83 33.27 2ww3 s LYS 730 CO 0.03 0.22 -0.15 0.08 0.16 0.00 0.00 175.35 175.70 2ww3 s VAL 731 N 0.44 2.10 -0.34 4.02 1.01 -0.20 -1.46 120.40 125.97 2ww3 s VAL 731 Ca -0.02 -1.29 -0.21 0.00 0.00 0.00 0.00 61.98 60.46 2ww3 s VAL 731 Cb -0.14 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 2ww3 s VAL 731 CO 0.02 0.24 0.66 -0.62 0.00 0.00 0.00 175.10 175.40 2ww3 s ASP 732 N 1.20 6.47 0.02 3.32 2.15 -0.89 -4.24 116.67 124.70 2ww3 s ASP 732 Ca -0.02 0.27 -0.08 0.00 0.43 0.00 0.00 52.55 53.14 2ww3 s ASP 732 Cb -0.17 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 2ww3 s ASP 732 CO -0.09 -0.58 0.31 -0.04 -0.17 0.00 0.00 175.17 174.61 2ww3 s MET 733 N 2.73 3.66 0.05 4.34 -1.94 -1.26 -0.86 119.30 126.02 2ww3 s MET 733 Ca 0.26 0.04 0.01 0.00 -1.71 0.00 0.00 55.69 54.29 2ww3 s MET 733 Cb -0.14 -3.08 -0.03 0.00 2.01 0.00 0.00 34.83 33.59 2ww3 s MET 733 CO 0.14 0.64 -0.06 0.45 -0.01 0.00 0.00 175.02 176.18 2ww3 s SER 734 N -1.61 0.74 0.00 3.03 0.15 0.09 -4.84 113.70 111.26 2ww3 s SER 734 Ca 0.28 -0.69 0.27 0.00 0.70 0.00 0.00 55.95 56.50 2ww3 s SER 734 Cb -0.14 0.08 1.21 0.00 -1.71 0.00 0.00 66.02 65.46 2ww3 s SER 734 CO 0.16 -0.33 1.82 -0.46 1.20 0.00 0.00 173.24 175.63 2ww3 n ASN 735 N 1.00 1.01 -4.28 5.45 6.94 -1.26 -1.43 115.26 122.69 2ww3 n ASN 735 Ca -0.20 -1.41 -0.27 0.00 -0.02 0.00 0.00 54.58 52.68 2ww3 n ASN 735 Cb 0.57 -0.02 -0.14 0.00 -2.36 0.00 0.00 39.78 37.82 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 -1.96 1.50 0.39 -3.83 0.52 -1.26 -4.91 118.95 109.41 2ww3 s ARG 736 Ca 0.38 -0.99 -0.26 0.00 -0.52 0.00 0.00 55.73 54.34 2ww3 s ARG 736 Cb 0.20 -1.64 -0.09 0.00 0.52 0.00 0.00 34.95 33.94 2ww3 s ARG 736 CO 0.32 0.42 1.30 -1.25 0.02 0.00 0.00 175.30 176.10 2ww3 s PRO 737 N -1.19 4.03 -0.47 3.54 0.04 -1.26 -4.79 135.00 134.91 2ww3 s PRO 737 Ca 0.09 2.15 -0.18 0.00 0.04 0.00 0.00 61.00 63.09 2ww3 s PRO 737 Cb -0.09 -2.80 0.04 0.00 0.04 0.00 0.00 34.50 31.70 2ww3 s PRO 737 CO 0.02 -0.44 0.55 1.21 0.04 0.00 0.00 177.00 178.37 2ww3 s ASN 738 N -0.72 6.22 0.53 6.66 3.84 -1.26 -4.93 114.94 125.28 2ww3 s ASN 738 Ca 0.56 -0.81 0.32 0.00 0.21 0.00 0.00 52.86 53.13 2ww3 s ASN 738 Cb -0.38 -2.26 1.27 0.00 -0.55 0.00 0.00 41.25 39.33 2ww3 s ASN 738 CO 0.49 -0.76 1.95 -0.07 -2.79 0.00 0.00 177.10 175.92 2ww3 h LEU 739 N 9.41 0.00 0.00 3.21 4.07 -1.96 -2.98 115.31 127.05 2ww3 h LEU 739 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2ww3 h LEU 739 Cb 1.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.84 2ww3 h LEU 739 CO 0.90 0.04 -1.14 0.59 -1.08 0.00 0.00 178.44 177.75 2ww3 n ASN 740 N -3.16 0.61 -4.76 -0.43 3.02 -1.26 -4.90 115.26 104.38 2ww3 n ASN 740 Ca 0.00 0.04 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 2ww3 n ASN 740 Cb 0.33 0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 40.25 2ww3 n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ww3 s ARG 741 N -3.30 4.54 -1.36 3.52 3.52 -1.13 -3.98 118.95 120.76 2ww3 s ARG 741 Ca 0.01 1.13 -0.07 0.00 -0.13 0.00 0.00 55.73 56.67 2ww3 s ARG 741 Cb 0.13 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 2ww3 s ARG 741 CO 0.81 0.42 0.87 0.41 -0.81 0.00 0.00 175.30 176.99 2ww3 n GLY 742 N 2.00 -0.45 0.41 8.12 0.00 -1.23 -4.73 105.19 109.31 2ww3 n GLY 742 Ca -0.04 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.67 0.00 -2.76 2.61 -2.24 -1.26 -4.57 114.28 101.40 2ww3 n THR 743 Ca -0.04 -0.45 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 2ww3 n THR 743 Cb 0.58 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 2ww3 n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww3 s LYS 744 N -1.21 3.80 0.33 -0.78 1.02 -1.26 -4.85 119.74 116.79 2ww3 s LYS 744 Ca 0.13 0.55 0.06 0.00 0.02 0.00 0.00 55.97 56.72 2ww3 s LYS 744 Cb 0.10 -2.34 0.70 0.00 -0.52 0.00 0.00 37.83 35.77 2ww3 s LYS 744 CO 0.21 -0.09 1.88 1.49 -0.92 0.00 0.00 175.35 177.92 2ww3 h GLU 745 N 1.16 0.80 0.00 1.68 4.22 -1.99 -0.46 114.58 119.99 2ww3 h GLU 745 Ca -0.47 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2ww3 h GLU 745 Cb 1.19 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2ww3 h GLU 745 CO 0.63 0.53 0.00 -0.85 -2.18 0.00 0.00 179.01 177.14 2ww3 n GLU 746 N -4.55 0.21 0.00 1.92 0.28 -1.26 -2.49 120.64 114.75 2ww3 n GLU 746 Ca 0.16 0.24 0.14 0.00 -0.16 0.00 0.00 57.16 57.55 2ww3 n GLU 746 Cb 0.38 -1.78 0.77 0.00 1.43 0.00 0.00 31.44 32.24 2ww3 n GLU 746 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ww3 n ASP 747 N -2.14 0.00 -4.77 -1.84 8.00 -0.18 -4.89 116.55 110.73 2ww3 n ASP 747 Ca 0.05 -0.40 -0.39 0.00 0.71 0.00 0.00 54.79 54.76 2ww3 n ASP 747 Cb 0.36 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 2ww3 n ASP 747 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ww3 s MET 748 N -2.37 4.37 1.01 -1.24 -1.94 -1.04 -1.39 119.30 116.71 2ww3 s MET 748 Ca 0.33 0.86 -0.12 0.00 -1.71 0.00 0.00 55.69 55.05 2ww3 s MET 748 Cb 0.19 -3.32 0.20 0.00 2.01 0.00 0.00 34.83 33.91 2ww3 s MET 748 CO 0.40 0.42 1.08 -2.14 -0.01 0.00 0.00 175.02 174.77 2ww3 s PRO 749 N -0.44 0.27 0.15 2.03 0.02 -1.26 -4.93 135.00 130.84 2ww3 s PRO 749 Ca 0.33 1.02 -0.34 0.00 0.02 0.00 0.00 61.00 62.02 2ww3 s PRO 749 Cb -0.20 -1.68 -0.16 0.00 0.02 0.00 0.00 34.50 32.49 2ww3 s PRO 749 CO 0.20 -2.97 1.30 0.98 -0.33 0.00 0.00 177.00 176.17 2ww3 n TYR 750 N -4.41 1.57 -4.04 6.54 9.36 -1.26 -5.00 117.16 119.92 2ww3 n TYR 750 Ca 0.07 0.59 -0.17 0.00 3.32 0.00 0.00 57.90 61.71 2ww3 n TYR 750 Cb 0.54 -2.35 -0.16 0.00 -0.63 0.00 0.00 39.34 36.75 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 0.30 0.55 0.18 2.98 0.01 -1.26 -4.63 113.70 111.83 2ww3 s SER 751 Ca 0.77 -0.06 -0.13 0.00 1.31 0.00 0.00 55.95 57.84 2ww3 s SER 751 Cb -0.85 -0.23 0.14 0.00 0.21 0.00 0.00 66.02 65.29 2ww3 s SER 751 CO 0.48 -0.04 1.79 0.15 0.41 0.00 0.00 173.24 176.03 2ww3 h PHE 752 N 6.88 0.49 -0.67 2.43 3.57 -0.84 0.18 116.94 128.98 2ww3 h PHE 752 Ca -0.38 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.19 2ww3 h PHE 752 Cb 1.16 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 2ww3 h PHE 752 CO 0.48 0.25 0.44 0.77 -2.23 0.00 0.00 178.31 178.01 2ww3 h SER 753 N 0.52 0.67 -0.29 0.41 0.02 -1.91 -1.31 113.55 111.66 2ww3 h SER 753 Ca 0.23 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 2ww3 h SER 753 Cb 0.12 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2ww3 h SER 753 CO -0.15 0.45 -0.25 0.11 -1.14 0.00 0.00 176.83 175.85 2ww3 h LYS 754 N 0.77 0.68 -0.66 3.45 1.57 -1.40 -2.66 116.57 118.31 2ww3 h LYS 754 Ca 0.27 -0.34 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 2ww3 h LYS 754 Cb 0.12 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.34 2ww3 h LYS 754 CO -0.08 0.95 0.19 1.49 -0.57 0.00 0.00 179.45 181.43 2ww3 h GLU 755 N 0.42 0.31 0.00 3.15 4.81 0.18 0.17 114.58 123.63 2ww3 h GLU 755 Ca 0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2ww3 h GLU 755 Cb 0.81 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 2ww3 h GLU 755 CO 0.06 0.21 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.48 2ww3 h LEU 756 N 0.32 0.00 0.00 1.64 4.07 -1.05 -3.52 115.31 116.78 2ww3 h LEU 756 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.32 2ww3 h LEU 756 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2ww3 h LEU 756 CO -0.41 0.00 0.00 -1.84 -1.08 0.00 0.00 178.44 175.11