#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww0 s ASP 21 N 0.00 2.80 -0.01 4.39 2.15 -1.26 -5.01 116.67 119.73 2ww0 s ASP 21 Ca 0.00 -0.52 0.20 0.00 0.43 0.00 0.00 52.55 52.66 2ww0 s ASP 21 Cb 0.00 -1.28 -0.26 0.00 -0.30 0.00 0.00 42.92 41.08 2ww0 s ASP 21 CO 0.00 0.08 0.65 0.79 -0.17 0.00 0.00 175.17 176.52 2ww0 n TRP 22 N 3.91 0.00 0.26 -5.34 8.01 -1.26 -4.45 117.44 118.56 2ww0 n TRP 22 Ca -0.20 0.00 0.10 0.00 -1.31 0.00 0.00 57.50 56.10 2ww0 n TRP 22 Cb 0.52 -0.21 0.70 0.00 -2.01 0.00 0.00 31.31 30.30 2ww0 n TRP 22 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2ww0 h THR 23 N 0.00 0.79 -0.01 -0.99 1.35 -1.93 -1.01 112.91 111.11 2ww0 h THR 23 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2ww0 h THR 23 Cb 0.67 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2ww0 h THR 23 CO 0.00 0.09 0.05 0.06 -0.25 0.00 0.00 175.52 175.47 2ww0 h GLN 24 N 0.00 0.00 0.00 4.72 3.07 -2.03 -0.93 115.11 119.95 2ww0 h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ww0 h GLN 24 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 2ww0 h GLN 24 CO 0.01 0.00 -0.75 0.66 0.09 0.00 0.00 178.83 178.85 2ww0 n TYR 25 N -3.16 0.19 -2.78 0.06 4.01 -0.38 -4.88 117.16 110.21 2ww0 n TYR 25 Ca -0.03 0.05 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 2ww0 n TYR 25 Cb 0.12 -0.36 -0.03 0.00 -0.31 0.00 0.00 39.34 38.76 2ww0 n TYR 25 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2ww0 s VAL 26 N -3.09 4.78 -0.44 -0.72 1.01 -0.35 -4.21 120.40 117.37 2ww0 s VAL 26 Ca 0.07 1.81 -0.06 0.00 0.00 0.00 0.00 61.98 63.80 2ww0 s VAL 26 Cb 0.16 -4.22 0.11 0.00 0.00 0.00 0.00 36.38 32.43 2ww0 s VAL 26 CO 0.75 -0.09 0.27 0.21 0.00 0.00 0.00 175.10 176.24 2ww0 s ASN 27 N 1.23 5.48 0.00 3.32 2.47 -1.26 -4.84 114.94 121.34 2ww0 s ASN 27 Ca 0.40 -1.96 0.09 0.00 0.42 0.00 0.00 52.86 51.82 2ww0 s ASN 27 Cb -0.16 -1.92 0.45 0.00 -1.45 0.00 0.00 41.25 38.17 2ww0 s ASN 27 CO 0.09 -0.61 1.21 -2.65 -3.72 0.00 0.00 177.10 171.41 2ww0 n PRO 28 N 4.75 0.09 0.00 0.43 -0.02 -1.26 -1.77 135.00 137.23 2ww0 n PRO 28 Ca -0.05 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 2ww0 n PRO 28 Cb 0.41 -1.50 0.34 0.00 -0.02 0.00 0.00 33.50 32.73 2ww0 n PRO 28 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2ww0 n LEU 29 N -1.35 0.72 -4.66 2.45 4.77 -1.26 -3.56 117.00 114.12 2ww0 n LEU 29 Ca 0.04 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 2ww0 n LEU 29 Cb 0.08 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2ww0 n LEU 29 CO 0.08 0.15 1.46 -0.32 -1.33 0.00 0.00 177.39 177.42 2ww0 s MET 30 N -2.74 4.11 0.00 3.23 1.75 -0.73 -1.12 119.30 123.81 2ww0 s MET 30 Ca 0.18 2.28 0.00 0.00 -1.25 0.00 0.00 55.69 56.91 2ww0 s MET 30 Cb 0.18 -4.06 0.00 0.00 2.84 0.00 0.00 34.83 33.80 2ww0 s MET 30 CO 0.60 -0.95 0.00 0.41 -0.65 0.00 0.00 175.02 174.43 2ww0 n GLY 31 N 4.34 0.47 0.05 2.11 0.00 0.45 -4.75 105.19 107.87 2ww0 n GLY 31 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 2ww0 n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ww0 n SER 32 N 0.00 0.60 -3.55 1.61 3.41 -0.28 -1.52 113.62 113.89 2ww0 n SER 32 Ca 0.00 0.20 -0.40 0.00 -0.26 0.00 0.00 58.87 58.41 2ww0 n SER 32 Cb 0.00 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2ww0 n SER 32 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2ww0 n GLN 33 N -1.95 4.31 -4.36 4.33 7.27 -0.37 -1.14 117.38 125.48 2ww0 n GLN 33 Ca 0.05 -3.37 -0.25 0.00 0.07 0.00 0.00 57.00 53.50 2ww0 n GLN 33 Cb 0.40 -2.71 -0.12 0.00 2.41 0.00 0.00 30.24 30.23 2ww0 n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2ww0 s SER 34 N 0.63 2.95 0.28 1.69 0.01 -1.26 -4.38 113.70 113.61 2ww0 s SER 34 Ca 0.52 -0.81 0.05 0.00 1.31 0.00 0.00 55.95 57.02 2ww0 s SER 34 Cb 0.17 -0.19 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 2ww0 s SER 34 CO -0.07 0.06 -0.01 0.42 0.41 0.00 0.00 173.24 174.04 2ww0 s THR 35 N -1.63 1.33 0.27 1.44 -4.23 -0.38 -4.93 115.64 107.51 2ww0 s THR 35 Ca 0.15 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 2ww0 s THR 35 Cb -0.08 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.52 2ww0 s THR 35 CO 0.07 -0.23 1.71 0.15 -0.54 0.00 0.00 174.62 175.78 2ww0 h PHE 36 N 2.30 0.59 0.00 3.99 3.57 -2.02 -2.72 116.94 122.64 2ww0 h PHE 36 Ca -0.40 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 60.95 2ww0 h PHE 36 Cb 1.23 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 2ww0 h PHE 36 CO 0.62 0.00 -0.91 0.93 -2.23 0.00 0.00 178.31 176.73 2ww0 h GLU 37 N 0.42 0.00 -3.27 1.11 3.07 -1.96 -3.40 114.58 110.55 2ww0 h GLU 37 Ca 0.50 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 59.01 2ww0 h GLU 37 Cb 0.87 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 28.40 2ww0 h GLU 37 CO -0.48 0.89 -0.71 -1.17 -1.40 0.00 0.00 179.01 176.14 2ww0 s LEU 38 N -6.65 0.14 -0.00 1.33 2.96 -1.03 -4.10 118.68 111.33 2ww0 s LEU 38 Ca 0.02 0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.89 2ww0 s LEU 38 Cb 0.09 -0.03 -0.06 0.00 0.50 0.00 0.00 46.19 46.69 2ww0 s LEU 38 CO 0.80 -0.24 0.49 -0.55 -1.32 0.00 0.00 176.35 175.54 2ww0 s SER 39 N 2.13 6.88 -0.18 3.68 0.15 -1.24 -1.24 113.70 123.88 2ww0 s SER 39 Ca 0.04 1.05 0.16 0.00 0.70 0.00 0.00 55.95 57.89 2ww0 s SER 39 Cb -0.12 -2.30 0.42 0.00 -1.71 0.00 0.00 66.02 62.31 2ww0 s SER 39 CO -0.04 0.22 1.30 0.35 1.20 0.00 0.00 173.24 176.27 2ww0 n THR 40 N 2.29 2.17 0.00 6.45 -2.24 -1.26 -3.56 114.28 118.12 2ww0 n THR 40 Ca -0.11 -2.34 0.00 0.00 -2.27 0.00 0.00 64.05 59.34 2ww0 n THR 40 Cb 0.52 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2ww0 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ww0 n GLY 41 N -1.05 3.48 3.62 3.38 0.00 -1.15 -1.13 105.19 112.35 2ww0 n GLY 41 Ca 0.21 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 2ww0 n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww0 n ASN 42 N 0.00 -1.56 -4.78 1.61 3.02 -0.95 -1.37 115.26 111.24 2ww0 n ASN 42 Ca 0.00 -0.75 -0.24 0.00 -0.03 0.00 0.00 54.58 53.55 2ww0 n ASN 42 Cb 0.00 -4.40 -0.06 0.00 -0.61 0.00 0.00 39.78 34.71 2ww0 n ASN 42 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ww0 s THR 43 N -3.56 2.28 0.23 3.41 -4.23 -0.58 -4.60 115.64 108.60 2ww0 s THR 43 Ca 0.02 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 2ww0 s THR 43 Cb -0.01 -2.91 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 2ww0 s THR 43 CO 0.79 0.00 -0.05 -0.72 -0.54 0.00 0.00 174.62 174.10 2ww0 s TYR 44 N -2.60 1.67 -0.71 3.99 1.13 -1.26 -4.09 117.35 115.48 2ww0 s TYR 44 Ca 0.41 -0.79 -0.26 0.00 -1.41 0.00 0.00 57.07 55.02 2ww0 s TYR 44 Cb 0.02 -0.93 -0.03 0.00 -1.10 0.00 0.00 41.96 39.92 2ww0 s TYR 44 CO 0.23 0.12 1.89 -2.14 -2.51 0.00 0.00 175.55 173.14 2ww0 s PRO 45 N -3.78 2.60 -0.77 -3.49 0.02 -1.23 -4.91 135.00 123.43 2ww0 s PRO 45 Ca 0.27 0.30 -0.26 0.00 0.02 0.00 0.00 61.00 61.32 2ww0 s PRO 45 Cb 0.04 -4.62 0.03 0.00 0.02 0.00 0.00 34.50 29.96 2ww0 s PRO 45 CO 0.08 -2.96 1.38 0.00 -0.33 0.00 0.00 177.00 175.17 2ww0 s ALA 46 N 9.44 2.66 -0.47 -1.55 0.00 -1.26 -4.42 121.76 126.16 2ww0 s ALA 46 Ca 0.68 -1.42 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 2ww0 s ALA 46 Cb -0.11 -4.31 0.03 0.00 0.00 0.00 0.00 23.12 18.74 2ww0 s ALA 46 CO 0.13 -3.43 0.85 0.42 0.00 0.00 0.00 175.76 173.73 2ww0 s ILE 47 N 6.07 4.56 0.11 0.00 -1.09 -0.17 -4.78 121.20 125.91 2ww0 s ILE 47 Ca 0.41 0.50 -0.26 0.00 -2.23 0.00 0.00 60.65 59.06 2ww0 s ILE 47 Cb -0.07 -4.39 0.07 0.00 -1.58 0.00 0.00 42.46 36.49 2ww0 s ILE 47 CO 0.12 -0.81 0.96 0.00 -1.23 0.00 0.00 174.94 173.98 2ww0 s ALA 48 N 3.51 -1.72 0.64 9.38 0.00 -0.62 -1.77 121.76 131.18 2ww0 s ALA 48 Ca 0.32 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.55 2ww0 s ALA 48 Cb -0.12 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.59 2ww0 s ALA 48 CO 0.23 -0.96 0.99 1.03 0.00 0.00 0.00 175.76 177.05 2ww0 s ARG 49 N -3.21 2.91 0.14 0.00 1.81 -1.26 -4.57 118.95 114.77 2ww0 s ARG 49 Ca 0.11 0.22 -0.35 0.00 -1.72 0.00 0.00 55.73 53.99 2ww0 s ARG 49 Cb -0.01 -2.16 -0.15 0.00 -0.45 0.00 0.00 34.95 32.19 2ww0 s ARG 49 CO -0.01 -0.84 1.50 -2.30 -0.68 0.00 0.00 175.30 172.97 2ww0 n PRO 50 N -2.77 1.83 -1.83 3.54 -0.02 -1.26 -1.43 135.00 133.06 2ww0 n PRO 50 Ca 0.06 0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 62.05 2ww0 n PRO 50 Cb 0.57 -2.39 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 2ww0 n PRO 50 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2ww0 n TRP 51 N 3.11 -0.68 -1.69 6.00 8.01 -0.19 -4.88 117.44 127.13 2ww0 n TRP 51 Ca 0.17 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.95 2ww0 n TRP 51 Cb 0.26 -2.93 0.01 0.00 -2.01 0.00 0.00 31.31 26.64 2ww0 n TRP 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2ww0 n GLY 52 N -0.51 0.41 0.24 6.99 0.00 -0.52 -1.03 105.19 110.77 2ww0 n GLY 52 Ca -0.16 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2ww0 n GLY 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2ww0 h MET 53 N 1.94 0.50 -5.04 1.61 4.05 -1.47 -3.38 114.93 113.14 2ww0 h MET 53 Ca -0.47 -0.20 -0.65 0.00 -0.28 0.00 0.00 59.70 58.10 2ww0 h MET 53 Cb 1.30 -0.03 -0.34 0.00 -0.80 0.00 0.00 31.60 31.74 2ww0 h MET 53 CO 0.59 0.73 -0.86 -0.80 0.23 0.00 0.00 176.91 176.80 2ww0 s ASN 54 N -6.81 2.90 0.14 1.39 0.01 -1.02 -4.88 114.94 106.66 2ww0 s ASN 54 Ca -0.07 -0.55 -0.02 0.00 -0.71 0.00 0.00 52.86 51.51 2ww0 s ASN 54 Cb 0.14 -1.33 -0.05 0.00 0.41 0.00 0.00 41.25 40.42 2ww0 s ASN 54 CO 0.80 0.05 0.34 -0.36 -1.51 0.00 0.00 177.10 176.42 2ww0 s PHE 55 N 0.91 3.49 0.01 2.20 0.08 -0.90 -4.79 117.98 118.97 2ww0 s PHE 55 Ca -0.06 0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.47 2ww0 s PHE 55 Cb -0.15 -1.89 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2ww0 s PHE 55 CO -0.03 0.46 -0.23 -1.58 -0.10 0.00 0.00 175.22 173.74 2ww0 s TRP 56 N -1.69 2.06 -0.01 0.36 0.52 -0.73 -0.43 118.94 119.03 2ww0 s TRP 56 Ca 0.39 -0.39 -0.11 0.00 0.02 0.00 0.00 56.10 56.00 2ww0 s TRP 56 Cb -0.12 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.92 2ww0 s TRP 56 CO 0.27 0.02 0.23 -0.08 0.02 0.00 0.00 176.95 177.41 2ww0 s THR 57 N -0.64 0.07 0.47 2.01 -1.32 -0.45 -1.00 115.64 114.78 2ww0 s THR 57 Ca 0.09 -0.56 -0.24 0.00 -1.21 0.00 0.00 61.69 59.76 2ww0 s THR 57 Cb -0.09 -0.52 -0.07 0.00 -1.51 0.00 0.00 72.50 70.31 2ww0 s THR 57 CO 0.00 -0.31 1.37 -2.16 -2.21 0.00 0.00 174.62 171.31 2ww0 s PRO 58 N -1.32 3.59 -0.26 7.08 0.04 -1.26 -0.89 135.00 141.99 2ww0 s PRO 58 Ca -0.14 2.27 -0.03 0.00 0.04 0.00 0.00 61.00 63.15 2ww0 s PRO 58 Cb -0.06 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.96 2ww0 s PRO 58 CO 0.03 -0.84 -0.04 -1.14 0.04 0.00 0.00 177.00 175.05 2ww0 s GLN 59 N -2.56 2.89 -0.22 4.56 0.74 0.41 -4.62 119.66 120.85 2ww0 s GLN 59 Ca 0.63 -0.95 0.07 0.00 0.05 0.00 0.00 55.36 55.16 2ww0 s GLN 59 Cb -0.41 -3.05 -0.20 0.00 1.10 0.00 0.00 33.01 30.45 2ww0 s GLN 59 CO 0.51 -0.41 -0.07 0.25 -0.55 0.00 0.00 175.29 175.03 2ww0 n THR 60 N 4.70 1.48 -1.32 -0.34 -2.24 0.12 -0.73 114.28 115.95 2ww0 n THR 60 Ca -0.16 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.62 2ww0 n THR 60 Cb 0.47 -1.13 0.10 0.00 -2.10 0.00 0.00 70.33 67.67 2ww0 n THR 60 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ww0 s GLY 61 N -6.09 2.04 0.62 3.38 0.00 0.81 -4.70 107.32 103.37 2ww0 s GLY 61 Ca -0.25 0.63 -0.16 0.00 0.00 0.00 0.00 44.72 44.94 2ww0 s GLY 61 CO 0.69 1.01 1.09 0.54 0.00 0.00 0.00 173.10 176.43 2ww0 s LYS 62 N -4.30 3.08 0.12 2.90 1.02 -1.26 -4.90 119.74 116.40 2ww0 s LYS 62 Ca 0.68 1.32 -0.36 0.00 0.02 0.00 0.00 55.97 57.64 2ww0 s LYS 62 Cb -0.23 -1.99 -0.16 0.00 -0.52 0.00 0.00 37.83 34.93 2ww0 s LYS 62 CO 0.49 -1.02 1.40 -0.12 -0.92 0.00 0.00 175.35 175.19 2ww0 n MET 63 N -2.15 1.47 0.00 1.68 0.00 -1.26 -1.79 117.12 115.07 2ww0 n MET 63 Ca 0.10 0.53 0.00 0.00 -0.00 0.00 0.00 57.70 58.33 2ww0 n MET 63 Cb 0.52 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.54 2ww0 n MET 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ww0 n GLY 64 N 2.76 3.29 3.67 -5.12 0.00 -1.26 -5.04 105.19 103.49 2ww0 n GLY 64 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2ww0 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ww0 s ASP 65 N -1.06 7.03 0.50 1.61 -1.08 -0.74 -4.91 116.67 118.02 2ww0 s ASP 65 Ca 0.00 1.66 0.28 0.00 -0.52 0.00 0.00 52.55 53.97 2ww0 s ASP 65 Cb 0.00 -2.55 1.37 0.00 -1.46 0.00 0.00 42.92 40.28 2ww0 s ASP 65 CO 0.00 -0.66 1.86 1.23 0.52 0.00 0.00 175.17 178.12 2ww0 h GLY 66 N 9.03 0.32 -7.70 2.66 0.00 -1.90 -3.14 103.07 102.35 2ww0 h GLY 66 Ca -0.28 -0.06 -0.73 0.00 0.00 0.00 0.00 47.33 46.25 2ww0 h GLY 66 CO 0.93 -0.02 1.34 -0.98 0.00 0.00 0.00 176.54 177.82 2ww0 s TRP 67 N -5.12 3.48 -0.18 5.60 0.51 -1.26 -4.28 118.94 117.68 2ww0 s TRP 67 Ca -0.06 -2.10 0.16 0.00 -2.12 0.00 0.00 56.10 51.98 2ww0 s TRP 67 Cb 0.22 -4.32 0.13 0.00 -0.81 0.00 0.00 33.47 28.70 2ww0 s TRP 67 CO 0.78 -1.41 1.48 -0.56 -0.51 0.00 0.00 176.95 176.74 2ww0 h GLN 68 N 7.23 0.00 -3.61 4.98 3.07 -1.91 -3.34 115.11 121.52 2ww0 h GLN 68 Ca 0.31 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.68 2ww0 h GLN 68 Cb 0.88 0.00 -0.36 0.00 0.08 0.00 0.00 27.48 28.08 2ww0 h GLN 68 CO 1.24 0.43 -0.75 -0.47 0.09 0.00 0.00 178.83 179.37 2ww0 s TYR 69 N -3.02 0.35 -0.02 0.06 5.04 -1.26 0.10 117.35 118.60 2ww0 s TYR 69 Ca 0.04 0.02 0.05 0.00 -2.44 0.00 0.00 57.07 54.74 2ww0 s TYR 69 Cb 0.07 -0.53 -0.01 0.00 0.35 0.00 0.00 41.96 41.84 2ww0 s TYR 69 CO 0.73 -0.20 -0.16 0.95 -1.34 0.00 0.00 175.55 175.54 2ww0 s THR 70 N 1.56 1.26 0.54 4.34 -4.23 -1.26 -4.78 115.64 113.06 2ww0 s THR 70 Ca -0.02 -0.67 0.21 0.00 -1.18 0.00 0.00 61.69 60.03 2ww0 s THR 70 Cb -0.13 -1.06 0.32 0.00 1.34 0.00 0.00 72.50 72.97 2ww0 s THR 70 CO -0.03 0.36 2.13 0.22 -0.54 0.00 0.00 174.62 176.76 2ww0 h TYR 71 N 5.89 0.00 -0.11 3.99 5.03 -1.49 -0.95 116.97 129.33 2ww0 h TYR 71 Ca -0.35 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.96 2ww0 h TYR 71 Cb 1.16 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.44 2ww0 h TYR 71 CO 0.41 0.00 0.00 0.25 -1.32 0.00 0.00 178.16 177.50 2ww0 n THR 72 N -4.33 0.13 -2.53 1.81 -2.24 -1.26 -4.90 114.28 100.95 2ww0 n THR 72 Ca -0.00 -0.35 -0.35 0.00 -2.27 0.00 0.00 64.05 61.08 2ww0 n THR 72 Cb 0.21 0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 2ww0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ww0 s ALA 73 N -1.87 2.94 -0.11 6.98 0.00 -0.36 -4.97 121.76 124.36 2ww0 s ALA 73 Ca 0.35 0.65 0.16 0.00 0.00 0.00 0.00 51.96 53.12 2ww0 s ALA 73 Cb 0.20 -3.26 -0.18 0.00 0.00 0.00 0.00 23.12 19.87 2ww0 s ALA 73 CO 0.30 -0.30 0.67 0.09 0.00 0.00 0.00 175.76 176.52 2ww0 n ASN 74 N -0.66 0.70 -4.24 0.00 3.02 -1.26 -4.97 115.26 107.84 2ww0 n ASN 74 Ca 0.08 0.31 -0.25 0.00 -0.03 0.00 0.00 54.58 54.69 2ww0 n ASN 74 Cb 0.51 0.34 -0.14 0.00 -0.61 0.00 0.00 39.78 39.88 2ww0 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ww0 s LYS 75 N -2.84 1.34 -0.16 3.52 1.02 -1.26 -1.43 119.74 119.93 2ww0 s LYS 75 Ca -0.04 -0.92 -0.06 0.00 0.02 0.00 0.00 55.97 54.96 2ww0 s LYS 75 Cb 0.08 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.91 2ww0 s LYS 75 CO 0.82 0.37 0.05 0.42 -0.92 0.00 0.00 175.35 176.09 2ww0 s ILE 76 N -0.81 4.65 -0.88 2.17 1.01 -0.03 -4.39 121.20 122.92 2ww0 s ILE 76 Ca 0.07 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.71 2ww0 s ILE 76 Cb -0.09 -3.06 0.13 0.00 0.01 0.00 0.00 42.46 39.45 2ww0 s ILE 76 CO 0.02 0.50 0.94 -2.11 0.00 0.00 0.00 174.94 174.29 2ww0 n ARG 77 N 3.20 1.31 0.00 2.79 1.85 0.09 -1.39 116.66 124.51 2ww0 n ARG 77 Ca -0.17 -1.38 0.00 0.00 -1.00 0.00 0.00 57.85 55.30 2ww0 n ARG 77 Cb 0.53 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 2ww0 n ARG 77 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ww0 n GLY 78 N 0.37 1.74 3.26 2.89 0.00 -1.24 -4.80 105.19 107.41 2ww0 n GLY 78 Ca 0.06 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 2ww0 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww0 s PHE 79 N -2.00 3.11 -0.06 1.61 0.40 0.13 -0.45 117.98 120.72 2ww0 s PHE 79 Ca 0.00 -1.33 0.00 0.00 -0.60 0.00 0.00 56.93 55.00 2ww0 s PHE 79 Cb 0.00 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 2ww0 s PHE 79 CO 0.00 -0.67 -0.03 0.21 0.70 0.00 0.00 175.22 175.43 2ww0 s LYS 80 N 1.39 2.83 -0.21 0.44 2.20 -0.07 -1.29 119.74 125.03 2ww0 s LYS 80 Ca 0.01 -0.52 -0.21 0.00 -0.36 0.00 0.00 55.97 54.89 2ww0 s LYS 80 Cb -0.17 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2ww0 s LYS 80 CO -0.01 0.67 0.64 -1.14 -0.36 0.00 0.00 175.35 175.15 2ww0 s GLN 81 N -1.01 4.19 0.10 4.03 0.74 0.48 -1.34 119.66 126.85 2ww0 s GLN 81 Ca 0.14 0.63 0.03 0.00 0.05 0.00 0.00 55.36 56.21 2ww0 s GLN 81 Cb -0.11 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.37 2ww0 s GLN 81 CO 0.04 -0.29 -0.09 -0.08 -0.55 0.00 0.00 175.29 174.32 2ww0 s THR 82 N 2.07 0.89 0.00 -0.34 -1.32 0.43 -3.28 115.64 114.09 2ww0 s THR 82 Ca 0.29 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 2ww0 s THR 82 Cb -0.16 -1.45 0.00 0.00 -1.51 0.00 0.00 72.50 69.39 2ww0 s THR 82 CO 0.10 -0.64 0.45 1.41 -2.21 0.00 0.00 174.62 173.73 2ww0 n HIS 83 N 0.38 0.00 -1.68 9.09 8.25 -1.25 -2.13 115.22 127.89 2ww0 n HIS 83 Ca -0.15 -0.10 -0.45 0.00 -0.26 0.00 0.00 57.72 56.77 2ww0 n HIS 83 Cb 0.59 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.65 2ww0 n HIS 83 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2ww0 n GLN 84 N -0.10 2.56 0.15 -0.41 7.27 -1.26 -4.88 117.38 120.71 2ww0 n GLN 84 Ca 0.00 0.93 0.12 0.00 0.07 0.00 0.00 57.00 58.12 2ww0 n GLN 84 Cb 0.21 -2.82 0.09 0.00 2.41 0.00 0.00 30.24 30.14 2ww0 n GLN 84 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2ww0 h PRO 85 N 9.09 0.00 -1.59 3.69 0.13 -1.90 -3.48 132.00 137.93 2ww0 h PRO 85 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2ww0 h PRO 85 Cb 1.25 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.13 2ww0 h PRO 85 CO 0.94 0.00 0.49 0.45 -0.23 0.00 0.00 178.00 179.65 2ww0 s SER 86 N -5.61 -0.42 0.36 1.44 0.15 -1.26 -4.57 113.70 103.79 2ww0 s SER 86 Ca 0.03 0.66 0.06 0.00 0.70 0.00 0.00 55.95 57.41 2ww0 s SER 86 Cb 0.08 0.62 0.75 0.00 -1.71 0.00 0.00 66.02 65.76 2ww0 s SER 86 CO 0.73 -0.25 1.96 1.55 1.20 0.00 0.00 173.24 178.43 2ww0 h PRO 87 N 3.46 0.73 -0.60 5.44 0.13 -1.81 0.14 132.00 139.48 2ww0 h PRO 87 Ca -0.24 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 2ww0 h PRO 87 Cb 1.17 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2ww0 h PRO 87 CO 0.20 0.48 0.06 -1.49 -0.23 0.00 0.00 178.00 177.03 2ww0 h TRP 88 N 0.75 1.09 0.00 1.56 4.06 -1.95 -3.13 115.95 118.34 2ww0 h TRP 88 Ca 0.31 -0.17 -0.22 0.00 2.06 0.00 0.00 58.89 60.88 2ww0 h TRP 88 Cb 0.27 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 2ww0 h TRP 88 CO -0.00 0.95 -0.93 0.82 -3.56 0.00 0.00 178.44 175.72 2ww0 h ILE 89 N 0.92 1.43 -0.67 1.49 1.08 -1.81 -3.50 117.51 116.45 2ww0 h ILE 89 Ca 0.18 -2.50 0.02 0.00 -0.39 0.00 0.00 64.86 62.16 2ww0 h ILE 89 Cb 0.47 2.44 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 2ww0 h ILE 89 CO 0.02 0.74 -0.02 -3.20 -0.69 0.00 0.00 178.15 175.00 2ww0 n ASN 90 N -3.72 -1.95 -4.80 1.72 2.85 0.43 -4.84 115.26 104.95 2ww0 n ASN 90 Ca -0.06 0.07 -0.23 0.00 -0.11 0.00 0.00 54.58 54.26 2ww0 n ASN 90 Cb 0.83 -0.20 -0.05 0.00 1.24 0.00 0.00 39.78 41.59 2ww0 n ASN 90 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ww0 s ASP 91 N -3.94 4.73 0.16 1.20 -1.08 -1.26 -4.34 116.67 112.13 2ww0 s ASP 91 Ca 0.00 -0.90 -0.19 0.00 -0.52 0.00 0.00 52.55 50.94 2ww0 s ASP 91 Cb 0.00 -0.56 0.05 0.00 -1.46 0.00 0.00 42.92 40.95 2ww0 s ASP 91 CO 0.00 -0.56 0.52 -0.72 0.52 0.00 0.00 175.17 174.93 2ww0 s TYR 92 N -2.52 -0.33 -1.15 -5.34 1.13 -1.26 -2.60 117.35 105.27 2ww0 s TYR 92 Ca 0.44 0.05 -0.02 0.00 -1.41 0.00 0.00 57.07 56.13 2ww0 s TYR 92 Cb 0.00 0.42 -0.02 0.00 -1.10 0.00 0.00 41.96 41.26 2ww0 s TYR 92 CO 0.25 -0.82 0.96 0.41 -2.51 0.00 0.00 175.55 173.84 2ww0 n GLY 93 N -0.32 -0.64 3.14 5.49 0.00 -1.24 -3.92 105.19 107.71 2ww0 n GLY 93 Ca -0.15 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2ww0 n GLY 93 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww0 s GLN 94 N -5.06 2.41 0.20 1.61 -2.07 -1.26 -4.52 119.66 110.97 2ww0 s GLN 94 Ca 0.16 -0.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.90 2ww0 s GLN 94 Cb -0.02 -1.89 -0.00 0.00 -1.09 0.00 0.00 33.01 30.00 2ww0 s GLN 94 CO 0.74 0.14 0.39 -0.59 -1.32 0.00 0.00 175.29 174.65 2ww0 s PHE 95 N 0.40 0.31 0.18 9.60 -0.71 -1.21 -4.59 117.98 121.97 2ww0 s PHE 95 Ca -0.15 -0.66 0.01 0.00 -1.04 0.00 0.00 56.93 55.08 2ww0 s PHE 95 Cb -0.16 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 2ww0 s PHE 95 CO 0.06 -0.85 0.05 -1.54 -1.34 0.00 0.00 175.22 171.60 2ww0 s SER 96 N -2.97 0.85 0.01 1.98 1.04 -0.57 -0.39 113.70 113.65 2ww0 s SER 96 Ca 0.18 -1.25 0.02 0.00 0.48 0.00 0.00 55.95 55.38 2ww0 s SER 96 Cb 0.01 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 2ww0 s SER 96 CO 0.03 -0.68 -0.06 -0.51 0.98 0.00 0.00 173.24 173.00 2ww0 s ILE 97 N -3.84 0.46 -0.18 -1.02 2.07 -0.41 -0.65 121.20 117.63 2ww0 s ILE 97 Ca 0.29 -0.48 -0.06 0.00 -1.41 0.00 0.00 60.65 58.98 2ww0 s ILE 97 Cb 0.07 -0.43 0.08 0.00 0.13 0.00 0.00 42.46 42.31 2ww0 s ILE 97 CO 0.06 -0.03 0.37 -0.32 -1.91 0.00 0.00 174.94 173.12 2ww0 s MET 98 N -0.55 0.27 0.23 3.50 -2.45 0.17 0.19 119.30 120.66 2ww0 s MET 98 Ca -0.01 0.95 -0.19 0.00 -1.25 0.00 0.00 55.69 55.19 2ww0 s MET 98 Cb -0.04 0.23 -0.08 0.00 1.25 0.00 0.00 34.83 36.18 2ww0 s MET 98 CO -0.00 -0.26 0.72 -1.25 1.05 0.00 0.00 175.02 175.27 2ww0 s PRO 99 N 2.56 4.22 0.35 4.11 0.04 -1.26 0.07 135.00 145.08 2ww0 s PRO 99 Ca -0.01 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 61.84 2ww0 s PRO 99 Cb -0.12 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2ww0 s PRO 99 CO -0.12 0.38 0.48 0.96 0.04 0.00 0.00 177.00 178.75 2ww0 s ILE 100 N -1.56 0.00 -0.02 0.56 -4.36 -0.27 -4.94 121.20 110.60 2ww0 s ILE 100 Ca 0.44 -1.59 -0.10 0.00 -0.26 0.00 0.00 60.65 59.13 2ww0 s ILE 100 Cb -0.16 -2.66 0.01 0.00 1.25 0.00 0.00 42.46 40.91 2ww0 s ILE 100 CO 0.21 0.00 0.22 -0.69 0.24 0.00 0.00 174.94 174.92 2ww0 s VAL 101 N -3.00 0.06 0.00 8.37 1.01 -1.26 -1.19 120.40 124.38 2ww0 s VAL 101 Ca 0.30 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2ww0 s VAL 101 Cb -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2ww0 s VAL 101 CO 0.21 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2ww0 n GLY 102 N 1.63 1.04 3.76 4.51 0.00 -0.33 -4.91 105.19 110.88 2ww0 n GLY 102 Ca -0.21 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 2ww0 n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 103 N 0.00 4.79 -0.62 1.61 -1.52 -1.26 -4.81 119.66 117.85 2ww0 s GLN 103 Ca 0.00 1.46 -0.28 0.00 -1.95 0.00 0.00 55.36 54.60 2ww0 s GLN 103 Cb 0.00 -3.16 0.02 0.00 -0.22 0.00 0.00 33.01 29.64 2ww0 s GLN 103 CO 0.00 0.45 1.38 -1.25 -0.25 0.00 0.00 175.29 175.62 2ww0 s PRO 104 N -1.39 3.25 -0.03 2.91 0.04 -1.26 -4.99 135.00 133.52 2ww0 s PRO 104 Ca 0.43 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.77 2ww0 s PRO 104 Cb -0.24 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.15 2ww0 s PRO 104 CO 0.30 -2.02 -0.17 0.14 0.04 0.00 0.00 177.00 175.29 2ww0 s VAL 105 N 6.04 1.41 -0.20 -0.36 -7.23 -1.26 -5.03 120.40 113.78 2ww0 s VAL 105 Ca 0.47 -0.73 0.17 0.00 -1.81 0.00 0.00 61.98 60.09 2ww0 s VAL 105 Cb -0.10 -1.20 -0.24 0.00 0.56 0.00 0.00 36.38 35.40 2ww0 s VAL 105 CO 0.22 0.41 0.06 0.33 -0.31 0.00 0.00 175.10 175.80 2ww0 n PHE 106 N 2.98 0.01 -1.51 2.82 7.35 -1.26 -4.70 117.46 123.16 2ww0 n PHE 106 Ca -0.17 0.01 -0.52 0.00 -0.76 0.00 0.00 57.45 56.00 2ww0 n PHE 106 Cb 0.53 -1.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.31 2ww0 n PHE 106 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ww0 n ASP 107 N -2.79 0.23 0.05 -2.13 -0.08 -1.26 -4.83 116.55 105.75 2ww0 n ASP 107 Ca -0.34 1.14 0.10 0.00 -1.51 0.00 0.00 54.79 54.19 2ww0 n ASP 107 Cb 1.15 -1.05 0.43 0.00 2.34 0.00 0.00 41.12 43.99 2ww0 n ASP 107 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ww0 n GLU 108 N 1.49 0.09 -0.11 -0.67 0.28 -1.26 -1.75 120.64 118.71 2ww0 n GLU 108 Ca 0.17 0.26 -0.24 0.00 -0.16 0.00 0.00 57.16 57.19 2ww0 n GLU 108 Cb 0.19 -1.65 -0.11 0.00 1.43 0.00 0.00 31.44 31.30 2ww0 n GLU 108 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2ww0 n GLU 109 N -1.81 0.63 0.26 3.44 1.02 -1.26 -4.03 120.64 118.89 2ww0 n GLU 109 Ca 0.04 0.28 0.09 0.00 -0.02 0.00 0.00 57.16 57.56 2ww0 n GLU 109 Cb 0.25 -1.58 0.68 0.00 -0.02 0.00 0.00 31.44 30.77 2ww0 n GLU 109 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ww0 h LYS 110 N -0.55 0.00 0.00 3.49 1.57 -1.92 -1.58 116.57 117.59 2ww0 h LYS 110 Ca -0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 2ww0 h LYS 110 Cb 1.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.02 2ww0 h LYS 110 CO -0.21 0.04 -0.44 2.89 -0.57 0.00 0.00 179.45 181.15 2ww0 n ARG 111 N -4.31 0.15 -2.01 3.15 1.85 -0.71 -4.93 116.66 109.84 2ww0 n ARG 111 Ca -0.03 0.06 -0.35 0.00 -1.00 0.00 0.00 57.85 56.52 2ww0 n ARG 111 Cb 0.12 -1.61 0.03 0.00 -1.05 0.00 0.00 32.46 29.96 2ww0 n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ww0 s ALA 112 N -3.08 2.55 0.01 2.89 0.00 -0.60 -4.93 121.76 118.60 2ww0 s ALA 112 Ca 0.09 0.93 0.06 0.00 0.00 0.00 0.00 51.96 53.04 2ww0 s ALA 112 Cb 0.15 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2ww0 s ALA 112 CO 0.68 -1.13 -0.18 0.45 0.00 0.00 0.00 175.76 175.58 2ww0 s SER 113 N -1.73 2.10 0.71 0.00 0.15 -0.49 -4.95 113.70 109.49 2ww0 s SER 113 Ca 0.75 -0.40 -0.16 0.00 0.70 0.00 0.00 55.95 56.85 2ww0 s SER 113 Cb -0.28 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 2ww0 s SER 113 CO 0.33 0.17 1.05 0.79 1.20 0.00 0.00 173.24 176.78 2ww0 n TRP 114 N 2.29 0.95 -3.86 3.44 7.02 -1.26 -0.85 117.44 125.17 2ww0 n TRP 114 Ca -0.16 0.40 -0.08 0.00 -1.02 0.00 0.00 57.50 56.64 2ww0 n TRP 114 Cb 0.54 -2.12 -0.01 0.00 -2.42 0.00 0.00 31.31 27.30 2ww0 n TRP 114 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2ww0 s PHE 115 N -1.77 0.02 0.02 -5.99 -0.71 -0.52 -1.14 117.98 107.89 2ww0 s PHE 115 Ca 0.75 -0.53 -0.04 0.00 -1.04 0.00 0.00 56.93 56.07 2ww0 s PHE 115 Cb -0.35 0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 42.12 2ww0 s PHE 115 CO 0.48 -1.32 0.05 0.00 -1.34 0.00 0.00 175.22 173.09 2ww0 s ALA 116 N -3.35 -0.02 0.50 1.99 0.00 -1.26 -4.81 121.76 114.80 2ww0 s ALA 116 Ca 0.14 -0.51 0.19 0.00 0.00 0.00 0.00 51.96 51.79 2ww0 s ALA 116 Cb -0.05 0.18 1.30 0.00 0.00 0.00 0.00 23.12 24.55 2ww0 s ALA 116 CO 0.09 -0.24 2.11 0.45 0.00 0.00 0.00 175.76 178.17 2ww0 h HIS 117 N 4.14 0.00 0.00 0.00 3.86 -1.95 0.42 115.15 121.62 2ww0 h HIS 117 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2ww0 h HIS 117 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2ww0 h HIS 117 CO 0.60 0.08 0.00 1.63 0.86 0.00 0.00 177.93 181.09 2ww0 n LYS 118 N -4.24 0.26 -0.28 2.45 5.02 -1.26 -1.49 118.16 118.62 2ww0 n LYS 118 Ca -0.03 0.11 0.07 0.00 -2.02 0.00 0.00 58.31 56.44 2ww0 n LYS 118 Cb 0.16 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 33.86 2ww0 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ww0 n GLY 119 N 0.33 3.28 3.15 0.72 0.00 0.14 -4.98 105.19 107.82 2ww0 n GLY 119 Ca 0.09 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 2ww0 n GLY 119 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww0 s GLU 120 N -1.72 1.28 -0.15 1.61 2.12 -0.55 -1.83 118.70 119.45 2ww0 s GLU 120 Ca 0.30 -0.60 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 2ww0 s GLU 120 Cb 0.21 -1.25 0.04 0.00 0.26 0.00 0.00 34.13 33.38 2ww0 s GLU 120 CO 0.13 0.34 -0.05 0.08 -0.54 0.00 0.00 175.26 175.21 2ww0 s VAL 121 N -0.42 1.07 -0.21 3.70 1.01 0.69 -4.94 120.40 121.29 2ww0 s VAL 121 Ca 0.06 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2ww0 s VAL 121 Cb -0.06 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.10 2ww0 s VAL 121 CO -0.00 0.17 -0.09 0.00 0.00 0.00 0.00 175.10 175.17 2ww0 s ALA 122 N 1.66 2.64 0.21 5.51 0.00 -1.26 -0.78 121.76 129.74 2ww0 s ALA 122 Ca 0.02 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.78 2ww0 s ALA 122 Cb -0.15 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 2ww0 s ALA 122 CO -0.08 -0.47 -0.02 0.95 0.00 0.00 0.00 175.76 176.15 2ww0 s THR 123 N 1.39 1.02 0.45 0.00 -4.23 -0.17 -4.50 115.64 109.60 2ww0 s THR 123 Ca 0.05 -2.03 0.14 0.00 -1.18 0.00 0.00 61.69 58.66 2ww0 s THR 123 Cb -0.14 -2.25 0.31 0.00 1.34 0.00 0.00 72.50 71.76 2ww0 s THR 123 CO -0.07 -0.40 2.02 -0.65 -0.54 0.00 0.00 174.62 174.99 2ww0 h PRO 124 N 2.54 0.34 -0.01 3.99 0.11 -1.88 -3.04 132.00 134.05 2ww0 h PRO 124 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2ww0 h PRO 124 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2ww0 h PRO 124 CO 0.64 0.22 -0.38 2.48 -0.21 0.00 0.00 178.00 180.75 2ww0 n TYR 125 N -4.47 0.00 -3.66 0.65 4.11 -1.26 -1.59 117.16 110.94 2ww0 n TYR 125 Ca 0.07 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.88 2ww0 n TYR 125 Cb 0.30 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.56 2ww0 n TYR 125 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2ww0 s TYR 126 N -1.99 -0.89 -0.04 -3.48 5.04 -1.15 -4.22 117.35 110.62 2ww0 s TYR 126 Ca 0.13 1.87 0.02 0.00 -2.44 0.00 0.00 57.07 56.65 2ww0 s TYR 126 Cb 0.13 0.47 0.01 0.00 0.35 0.00 0.00 41.96 42.93 2ww0 s TYR 126 CO 0.44 -0.45 -0.08 -0.47 -1.34 0.00 0.00 175.55 173.66 2ww0 s TYR 127 N 1.30 0.94 -0.00 4.97 5.04 -0.39 -1.00 117.35 128.21 2ww0 s TYR 127 Ca -0.08 -0.27 0.01 0.00 -2.44 0.00 0.00 57.07 54.30 2ww0 s TYR 127 Cb -0.06 -0.73 -0.00 0.00 0.35 0.00 0.00 41.96 41.52 2ww0 s TYR 127 CO -0.14 -0.17 -0.04 0.21 -1.34 0.00 0.00 175.55 174.07 2ww0 s LYS 128 N 0.56 0.36 -0.11 4.97 2.20 0.04 -1.02 119.74 126.74 2ww0 s LYS 128 Ca -0.09 -0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 55.12 2ww0 s LYS 128 Cb -0.12 -0.33 0.05 0.00 -1.51 0.00 0.00 37.83 35.92 2ww0 s LYS 128 CO 0.01 0.09 0.52 0.54 -0.36 0.00 0.00 175.35 176.15 2ww0 s VAL 129 N -0.20 0.02 -0.28 4.02 0.11 -0.61 -0.22 120.40 123.24 2ww0 s VAL 129 Ca 0.01 -0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 58.80 2ww0 s VAL 129 Cb -0.02 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 2ww0 s VAL 129 CO -0.00 -0.07 0.30 -0.47 -3.33 0.00 0.00 175.10 171.53 2ww0 s TYR 130 N -0.56 3.23 -0.60 1.54 5.04 -0.76 -0.88 117.35 124.36 2ww0 s TYR 130 Ca -0.07 0.26 -0.23 0.00 -2.44 0.00 0.00 57.07 54.60 2ww0 s TYR 130 Cb -0.03 -2.51 0.06 0.00 0.35 0.00 0.00 41.96 39.83 2ww0 s TYR 130 CO 0.04 -0.22 0.92 -0.51 -1.34 0.00 0.00 175.55 174.44 2ww0 s LEU 131 N 1.95 4.35 0.47 6.97 1.43 0.80 -4.62 118.68 130.02 2ww0 s LEU 131 Ca 0.12 -0.75 0.23 0.00 -1.03 0.00 0.00 54.13 52.70 2ww0 s LEU 131 Cb -0.16 -2.57 1.18 0.00 0.03 0.00 0.00 46.19 44.67 2ww0 s LEU 131 CO 0.10 -1.30 1.97 0.00 0.23 0.00 0.00 176.35 177.35 2ww0 h ALA 132 N 9.41 1.27 0.00 4.21 0.00 -1.43 0.36 119.26 133.09 2ww0 h ALA 132 Ca -0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ww0 h ALA 132 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2ww0 h ALA 132 CO 1.12 0.24 -0.31 0.39 0.00 0.00 0.00 179.25 180.70 2ww0 n GLU 133 N -3.72 0.02 -0.00 0.00 1.02 -1.26 -3.76 120.64 112.94 2ww0 n GLU 133 Ca -0.01 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.16 2ww0 n GLU 133 Cb 0.31 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 2ww0 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2ww0 n HIS 134 N -1.53 0.00 -3.52 -0.32 8.25 -0.82 -4.94 115.22 112.33 2ww0 n HIS 134 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.31 2ww0 n HIS 134 Cb 0.34 -0.03 0.08 0.00 1.12 0.00 0.00 29.99 31.50 2ww0 n HIS 134 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2ww0 n ASP 135 N -1.27 -4.29 -4.17 0.41 2.03 0.06 -4.72 116.55 104.59 2ww0 n ASP 135 Ca 0.01 -0.58 -0.27 0.00 0.52 0.00 0.00 54.79 54.47 2ww0 n ASP 135 Cb 0.11 -5.08 -0.16 0.00 -0.72 0.00 0.00 41.12 35.27 2ww0 n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ww0 s ILE 136 N -3.34 1.52 -0.19 5.18 1.01 -1.14 -3.66 121.20 120.58 2ww0 s ILE 136 Ca 0.30 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 2ww0 s ILE 136 Cb -0.13 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 2ww0 s ILE 136 CO 0.73 0.43 0.10 -0.69 0.00 0.00 0.00 174.94 175.52 2ww0 s VAL 137 N -0.11 5.14 -0.13 2.92 1.01 -0.83 -0.14 120.40 128.25 2ww0 s VAL 137 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2ww0 s VAL 137 Cb -0.11 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2ww0 s VAL 137 CO 0.02 0.45 -0.13 -0.89 0.00 0.00 0.00 175.10 174.54 2ww0 s THR 138 N 0.39 3.06 0.00 3.92 2.01 -0.06 -0.64 115.64 124.33 2ww0 s THR 138 Ca 0.06 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2ww0 s THR 138 Cb -0.12 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 2ww0 s THR 138 CO -0.01 0.53 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.66 2ww0 s GLU 139 N 0.29 1.36 0.01 4.92 2.02 -0.50 -1.57 118.70 125.22 2ww0 s GLU 139 Ca -0.10 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.23 2ww0 s GLU 139 Cb -0.16 -1.34 -0.01 0.00 0.10 0.00 0.00 34.13 32.72 2ww0 s GLU 139 CO 0.05 0.36 -0.07 0.00 0.02 0.00 0.00 175.26 175.62 2ww0 s MET 140 N -0.59 0.55 -0.07 1.61 0.23 -0.19 -0.24 119.30 120.60 2ww0 s MET 140 Ca 0.06 -0.36 0.00 0.00 -1.03 0.00 0.00 55.69 54.37 2ww0 s MET 140 Cb -0.07 -0.49 0.02 0.00 -1.53 0.00 0.00 34.83 32.76 2ww0 s MET 140 CO -0.00 0.13 -0.06 0.95 -2.03 0.00 0.00 175.02 174.01 2ww0 s THR 141 N -0.41 0.74 0.35 3.16 -4.23 -0.59 -1.26 115.64 113.39 2ww0 s THR 141 Ca 0.00 -0.18 0.07 0.00 -1.18 0.00 0.00 61.69 60.40 2ww0 s THR 141 Cb -0.04 -0.77 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 2ww0 s THR 141 CO -0.00 0.29 0.38 -2.16 -0.54 0.00 0.00 174.62 172.59 2ww0 s PRO 142 N 1.27 2.85 0.02 3.99 0.04 -1.26 -0.63 135.00 141.27 2ww0 s PRO 142 Ca -0.05 -1.21 0.00 0.00 0.04 0.00 0.00 61.00 59.78 2ww0 s PRO 142 Cb -0.14 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2ww0 s PRO 142 CO -0.02 0.04 0.00 0.25 0.04 0.00 0.00 177.00 177.31 2ww0 n THR 143 N -1.51 0.00 -0.34 1.26 -2.24 0.20 -4.72 114.28 106.93 2ww0 n THR 143 Ca -0.00 -0.07 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 2ww0 n THR 143 Cb 0.59 -0.07 0.14 0.00 -2.10 0.00 0.00 70.33 68.89 2ww0 n THR 143 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2ww0 h GLU 144 N 0.00 1.25 0.00 -0.78 5.08 -1.94 -3.34 114.58 114.84 2ww0 h GLU 144 Ca -0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2ww0 h GLU 144 Cb 0.04 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2ww0 h GLU 144 CO 0.02 0.83 0.00 0.54 -1.00 0.00 0.00 179.01 179.40 2ww0 n ARG 145 N -4.39 4.51 -4.59 2.33 1.74 -1.26 -1.78 116.66 113.23 2ww0 n ARG 145 Ca 0.11 -0.06 -0.27 0.00 -0.77 0.00 0.00 57.85 56.86 2ww0 n ARG 145 Cb 0.02 -0.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.91 2ww0 n ARG 145 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ww0 s ALA 146 N -0.66 3.21 -0.01 7.54 0.00 -1.25 -3.31 121.76 127.27 2ww0 s ALA 146 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 2ww0 s ALA 146 Cb 0.00 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.65 2ww0 s ALA 146 CO 0.00 -0.22 0.57 0.54 0.00 0.00 0.00 175.76 176.65 2ww0 s VAL 147 N -3.09 0.02 -0.15 0.00 0.11 0.02 0.59 120.40 117.90 2ww0 s VAL 147 Ca 0.21 -0.14 -0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2ww0 s VAL 147 Cb 0.04 -0.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2ww0 s VAL 147 CO 0.11 -0.08 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.44 2ww0 s LEU 148 N -1.48 2.54 -0.03 2.54 2.96 0.20 -1.02 118.68 124.40 2ww0 s LEU 148 Ca -0.09 -0.44 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2ww0 s LEU 148 Cb -0.01 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 2ww0 s LEU 148 CO 0.05 0.09 0.11 -0.36 -1.32 0.00 0.00 176.35 174.92 2ww0 s PHE 149 N 0.76 3.38 -0.14 5.38 0.40 -0.17 -1.54 117.98 126.05 2ww0 s PHE 149 Ca -0.06 0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.55 2ww0 s PHE 149 Cb -0.15 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.62 2ww0 s PHE 149 CO 0.01 0.59 -0.08 0.50 0.70 0.00 0.00 175.22 176.95 2ww0 s ARG 150 N -1.64 1.61 -0.24 0.44 3.52 0.67 -1.29 118.95 122.02 2ww0 s ARG 150 Ca 0.22 -0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 55.31 2ww0 s ARG 150 Cb -0.12 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 31.38 2ww0 s ARG 150 CO 0.13 -0.33 0.12 -0.06 -0.81 0.00 0.00 175.30 174.35 2ww0 s PHE 151 N 1.64 3.21 -0.44 5.12 0.40 0.14 -1.42 117.98 126.62 2ww0 s PHE 151 Ca 0.03 -0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.18 2ww0 s PHE 151 Cb -0.14 -2.25 0.05 0.00 0.51 0.00 0.00 43.02 41.19 2ww0 s PHE 151 CO -0.08 -0.10 0.35 0.99 0.70 0.00 0.00 175.22 177.08 2ww0 s THR 152 N 1.27 5.24 0.40 0.64 2.01 0.19 -1.26 115.64 124.13 2ww0 s THR 152 Ca 0.06 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 2ww0 s THR 152 Cb -0.14 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2ww0 s THR 152 CO 0.05 -0.46 0.66 -0.36 -0.69 0.00 0.00 174.62 173.83 2ww0 s PHE 153 N 1.67 3.52 0.77 4.92 0.08 -0.15 -1.97 117.98 126.83 2ww0 s PHE 153 Ca 0.05 0.61 -0.05 0.00 0.12 0.00 0.00 56.93 57.66 2ww0 s PHE 153 Cb -0.22 -2.11 0.14 0.00 -0.57 0.00 0.00 43.02 40.26 2ww0 s PHE 153 CO 0.08 -0.05 1.07 -1.25 -0.10 0.00 0.00 175.22 174.97 2ww0 s PRO 154 N -4.39 1.49 -0.18 0.24 0.04 -1.24 -0.82 135.00 130.13 2ww0 s PRO 154 Ca 0.44 -0.88 -0.29 0.00 0.04 0.00 0.00 61.00 60.31 2ww0 s PRO 154 Cb -0.10 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 2ww0 s PRO 154 CO 0.39 -1.65 1.41 -2.00 0.04 0.00 0.00 177.00 175.19 2ww0 s GLU 155 N -5.32 4.07 -0.07 4.56 2.12 -1.26 -4.36 118.70 118.44 2ww0 s GLU 155 Ca 0.67 1.67 -0.28 0.00 0.36 0.00 0.00 54.97 57.39 2ww0 s GLU 155 Cb -0.05 -3.88 0.06 0.00 0.26 0.00 0.00 34.13 30.52 2ww0 s GLU 155 CO 0.46 -0.93 0.64 1.21 -0.54 0.00 0.00 175.26 176.10 2ww0 s ASN 156 N 2.82 -0.61 0.10 -1.70 3.84 -0.76 -4.89 114.94 113.75 2ww0 s ASN 156 Ca 0.62 0.73 0.26 0.00 0.21 0.00 0.00 52.86 54.68 2ww0 s ASN 156 Cb -0.23 0.63 0.78 0.00 -0.55 0.00 0.00 41.25 41.87 2ww0 s ASN 156 CO 0.22 -0.54 1.66 0.47 -2.79 0.00 0.00 177.10 176.12 2ww0 n ASP 157 N 1.20 0.52 -3.60 -4.21 8.00 -1.26 -0.79 116.55 116.41 2ww0 n ASP 157 Ca -0.19 0.33 -0.28 0.00 0.71 0.00 0.00 54.79 55.36 2ww0 n ASP 157 Cb 0.57 -0.34 -0.11 0.00 -0.02 0.00 0.00 41.12 41.22 2ww0 n ASP 157 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2ww0 s HIS 158 N -3.07 2.07 -0.12 1.24 3.76 -1.26 -4.19 115.29 113.73 2ww0 s HIS 158 Ca 0.11 -2.71 -0.05 0.00 -0.15 0.00 0.00 55.06 52.26 2ww0 s HIS 158 Cb 0.15 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 2ww0 s HIS 158 CO 0.62 -0.72 0.06 -1.12 -0.85 0.00 0.00 174.74 172.73 2ww0 s SER 159 N -0.50 5.67 0.18 1.40 0.01 -0.71 -1.18 113.70 118.57 2ww0 s SER 159 Ca 0.29 0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.80 2ww0 s SER 159 Cb -0.01 -1.77 -0.05 0.00 0.21 0.00 0.00 66.02 64.40 2ww0 s SER 159 CO -0.17 0.34 -0.02 -0.31 0.41 0.00 0.00 173.24 173.49 2ww0 s TYR 160 N -0.64 1.29 -0.09 2.43 1.51 -0.34 -1.22 117.35 120.30 2ww0 s TYR 160 Ca 0.11 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.22 2ww0 s TYR 160 Cb -0.12 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2ww0 s TYR 160 CO 0.02 -0.13 -0.09 0.08 -1.11 0.00 0.00 175.55 174.33 2ww0 s VAL 161 N -3.55 1.00 -0.12 0.71 1.01 0.25 -1.12 120.40 118.58 2ww0 s VAL 161 Ca 0.24 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 2ww0 s VAL 161 Cb 0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 2ww0 s VAL 161 CO 0.04 0.35 0.25 -0.69 0.00 0.00 0.00 175.10 175.05 2ww0 s VAL 162 N 1.24 5.32 -0.13 2.92 1.01 0.11 -2.15 120.40 128.72 2ww0 s VAL 162 Ca -0.04 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.43 2ww0 s VAL 162 Cb -0.14 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2ww0 s VAL 162 CO -0.03 0.51 -0.22 -0.69 0.00 0.00 0.00 175.10 174.67 2ww0 s VAL 163 N -0.36 2.07 -0.22 2.92 1.01 0.98 -0.65 120.40 126.14 2ww0 s VAL 163 Ca 0.17 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 2ww0 s VAL 163 Cb -0.13 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.45 2ww0 s VAL 163 CO 0.05 0.55 -0.13 -0.62 0.00 0.00 0.00 175.10 174.96 2ww0 s ASP 164 N 0.72 3.80 0.00 3.32 -1.08 0.18 -0.77 116.67 122.85 2ww0 s ASP 164 Ca -0.09 -0.77 0.28 0.00 -0.52 0.00 0.00 52.55 51.45 2ww0 s ASP 164 Cb -0.16 -1.58 1.07 0.00 -1.46 0.00 0.00 42.92 40.79 2ww0 s ASP 164 CO 0.00 -0.06 1.76 0.00 0.52 0.00 0.00 175.17 177.38 2ww0 n ALA 165 N 4.64 2.68 -0.62 3.66 0.00 -0.81 -1.50 120.51 128.55 2ww0 n ALA 165 Ca -0.18 -0.41 0.08 0.00 0.00 0.00 0.00 53.44 52.93 2ww0 n ALA 165 Cb 0.48 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 2ww0 n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ww0 n PHE 166 N -0.11 -1.57 -1.99 0.00 3.01 -1.26 -4.50 117.46 111.04 2ww0 n PHE 166 Ca 0.18 0.80 0.00 0.00 1.01 0.00 0.00 57.45 59.44 2ww0 n PHE 166 Cb 0.33 -1.43 0.00 0.00 -0.01 0.00 0.00 39.48 38.37 2ww0 n PHE 166 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ww0 n ASP 167 N -2.67 0.28 -1.27 4.37 5.68 -1.26 -3.90 116.55 117.77 2ww0 n ASP 167 Ca -0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2ww0 n ASP 167 Cb 0.28 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.23 2ww0 n ASP 167 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2ww0 n LYS 168 N 0.00 -0.99 -0.30 0.11 4.76 -0.93 -3.67 118.16 117.14 2ww0 n LYS 168 Ca 0.00 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 2ww0 n LYS 168 Cb 0.00 -4.94 0.00 0.00 -1.84 0.00 0.00 35.03 28.25 2ww0 n LYS 168 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ww0 n GLY 169 N -1.18 -0.32 3.42 0.72 0.00 0.11 -4.65 105.19 103.30 2ww0 n GLY 169 Ca -0.14 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 2ww0 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ww0 s SER 170 N 0.00 1.14 -0.13 1.61 1.04 -0.07 -3.54 113.70 113.75 2ww0 s SER 170 Ca 0.00 -1.57 -0.14 0.00 0.48 0.00 0.00 55.95 54.72 2ww0 s SER 170 Cb 0.00 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.78 2ww0 s SER 170 CO 0.00 -1.22 0.38 -0.47 0.98 0.00 0.00 173.24 172.92 2ww0 s TYR 171 N -3.19 -0.41 -0.00 5.02 5.04 -0.48 -2.40 117.35 120.94 2ww0 s TYR 171 Ca 0.34 0.97 -0.04 0.00 -2.44 0.00 0.00 57.07 55.90 2ww0 s TYR 171 Cb 0.01 0.14 -0.00 0.00 0.35 0.00 0.00 41.96 42.46 2ww0 s TYR 171 CO 0.22 -0.23 0.08 -1.50 -1.34 0.00 0.00 175.55 172.79 2ww0 s ILE 172 N 0.05 0.07 -0.22 3.14 1.10 -0.27 -0.70 121.20 124.37 2ww0 s ILE 172 Ca -0.01 -0.58 -0.12 0.00 -0.51 0.00 0.00 60.65 59.42 2ww0 s ILE 172 Cb -0.03 -0.32 0.07 0.00 0.15 0.00 0.00 42.46 42.33 2ww0 s ILE 172 CO 0.01 -0.32 0.53 -0.75 -2.11 0.00 0.00 174.94 172.30 2ww0 s LYS 173 N -1.05 0.53 -0.20 3.50 2.20 0.48 -0.81 119.74 124.39 2ww0 s LYS 173 Ca -0.11 0.98 -0.08 0.00 -0.36 0.00 0.00 55.97 56.40 2ww0 s LYS 173 Cb -0.07 0.05 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2ww0 s LYS 173 CO 0.01 -0.15 0.07 0.42 -0.36 0.00 0.00 175.35 175.33 2ww0 s ILE 174 N 1.50 4.72 -0.59 5.43 1.01 0.33 -1.41 121.20 132.20 2ww0 s ILE 174 Ca -0.10 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.51 2ww0 s ILE 174 Cb -0.07 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.40 2ww0 s ILE 174 CO -0.16 0.42 0.36 -0.63 0.00 0.00 0.00 174.94 174.94 2ww0 s ILE 175 N 0.69 3.09 0.25 2.92 1.09 0.58 -4.89 121.20 124.92 2ww0 s ILE 175 Ca 0.04 -3.29 -0.04 0.00 -1.10 0.00 0.00 60.65 56.25 2ww0 s ILE 175 Cb -0.13 -3.07 0.23 0.00 -1.06 0.00 0.00 42.46 38.43 2ww0 s ILE 175 CO 0.02 -0.86 1.84 -0.65 -0.10 0.00 0.00 174.94 175.20 2ww0 h PRO 176 N 6.58 0.93 0.00 2.79 0.11 -1.97 -1.77 132.00 138.67 2ww0 h PRO 176 Ca -0.03 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2ww0 h PRO 176 Cb 0.90 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.80 2ww0 h PRO 176 CO 0.71 0.62 0.00 0.39 -0.21 0.00 0.00 178.00 179.50 2ww0 n GLU 177 N -4.63 0.33 -0.05 1.05 4.71 -1.26 -1.00 120.64 119.79 2ww0 n GLU 177 Ca 0.13 0.03 0.01 0.00 -0.01 0.00 0.00 57.16 57.32 2ww0 n GLU 177 Cb 0.21 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.15 2ww0 n GLU 177 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2ww0 n GLU 178 N -1.04 1.19 -4.06 3.49 1.02 -0.73 -5.00 120.64 115.51 2ww0 n GLU 178 Ca 0.08 -1.04 -0.31 0.00 -0.02 0.00 0.00 57.16 55.87 2ww0 n GLU 178 Cb 0.05 -0.75 -0.01 0.00 -0.02 0.00 0.00 31.44 30.70 2ww0 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2ww0 n ASN 179 N -0.27 -2.32 -4.10 1.62 3.02 -0.17 -4.73 115.26 108.31 2ww0 n ASN 179 Ca 0.01 -0.97 -0.22 0.00 -0.03 0.00 0.00 54.58 53.37 2ww0 n ASN 179 Cb 0.43 -3.08 -0.15 0.00 -0.61 0.00 0.00 39.78 36.37 2ww0 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ww0 s LYS 180 N -6.71 1.15 -0.12 3.52 2.20 -0.81 -0.66 119.74 118.31 2ww0 s LYS 180 Ca 0.42 -0.49 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 2ww0 s LYS 180 Cb -0.23 -1.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.99 2ww0 s LYS 180 CO 0.89 0.29 -0.22 0.42 -0.36 0.00 0.00 175.35 176.37 2ww0 s ILE 181 N -0.28 2.19 0.30 5.43 1.01 0.61 -0.31 121.20 130.15 2ww0 s ILE 181 Ca 0.04 -0.96 0.10 0.00 0.00 0.00 0.00 60.65 59.84 2ww0 s ILE 181 Cb -0.06 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 2ww0 s ILE 181 CO -0.00 0.55 -0.15 0.27 0.00 0.00 0.00 174.94 175.61 2ww0 s ILE 182 N 0.51 2.30 0.00 2.92 -4.36 -0.50 0.38 121.20 122.45 2ww0 s ILE 182 Ca -0.14 -2.30 0.00 0.00 -0.26 0.00 0.00 60.65 57.95 2ww0 s ILE 182 Cb -0.17 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.10 2ww0 s ILE 182 CO 0.05 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.52 2ww0 n GLY 183 N -0.68 -0.93 3.04 6.27 0.00 -0.65 -0.39 105.19 111.86 2ww0 n GLY 183 Ca -0.05 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 2ww0 n GLY 183 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww0 s TYR 184 N -2.00 0.57 0.13 1.61 -0.85 0.12 -0.17 117.35 116.76 2ww0 s TYR 184 Ca 0.00 -0.50 0.09 0.00 -0.52 0.00 0.00 57.07 56.14 2ww0 s TYR 184 Cb 0.00 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 2ww0 s TYR 184 CO 0.00 -0.11 -0.20 -0.08 -1.52 0.00 0.00 175.55 173.65 2ww0 s THR 185 N -1.38 2.72 0.00 -3.49 -1.32 -0.32 -1.38 115.64 110.47 2ww0 s THR 185 Ca -0.11 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 58.77 2ww0 s THR 185 Cb -0.10 -2.25 0.00 0.00 -1.51 0.00 0.00 72.50 68.64 2ww0 s THR 185 CO 0.00 0.07 0.00 0.35 -2.21 0.00 0.00 174.62 172.84 2ww0 n THR 186 N 0.75 0.00 -1.66 5.08 -2.24 -1.23 -1.36 114.28 113.61 2ww0 n THR 186 Ca -0.16 -0.17 -0.51 0.00 -2.27 0.00 0.00 64.05 60.94 2ww0 n THR 186 Cb 0.53 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 2ww0 n THR 186 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ww0 n ARG 187 N -0.35 1.63 -4.11 -0.78 0.63 -1.24 -4.78 116.66 107.66 2ww0 n ARG 187 Ca 0.00 0.59 -0.18 0.00 -0.92 0.00 0.00 57.85 57.35 2ww0 n ARG 187 Cb 0.00 -2.32 -0.06 0.00 0.45 0.00 0.00 32.46 30.53 2ww0 n ARG 187 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2ww0 n ASN 188 N 4.44 -0.90 -0.15 6.15 6.94 -1.26 -3.61 115.26 126.86 2ww0 n ASN 188 Ca 0.21 -3.06 0.09 0.00 -0.02 0.00 0.00 54.58 51.81 2ww0 n ASN 188 Cb 0.22 1.92 0.15 0.00 -2.36 0.00 0.00 39.78 39.71 2ww0 n ASN 188 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2ww0 n SER 189 N -1.69 2.24 0.00 0.53 7.64 -1.07 -4.96 113.62 116.31 2ww0 n SER 189 Ca 0.05 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.73 2ww0 n SER 189 Cb 0.59 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2ww0 n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ww0 n GLY 190 N -1.38 1.41 2.94 0.23 0.00 -1.26 -5.03 105.19 102.10 2ww0 n GLY 190 Ca 0.16 -2.18 -0.17 0.00 0.00 0.00 0.00 46.02 43.83 2ww0 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 191 N -0.32 -0.17 3.14 -0.02 0.00 -1.26 -4.63 105.19 101.93 2ww0 n GLY 191 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2ww0 n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww0 s VAL 192 N -3.17 0.92 0.78 1.61 -7.23 -1.26 -0.28 120.40 111.77 2ww0 s VAL 192 Ca 0.37 -1.27 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 2ww0 s VAL 192 Cb -0.17 -0.95 0.06 0.00 0.56 0.00 0.00 36.38 35.88 2ww0 s VAL 192 CO 0.46 -0.30 1.09 -2.84 -0.31 0.00 0.00 175.10 173.20 2ww0 s PRO 193 N -1.78 2.20 0.48 4.82 0.02 -1.24 -4.93 135.00 134.57 2ww0 s PRO 193 Ca -0.04 1.17 0.18 0.00 0.02 0.00 0.00 61.00 62.33 2ww0 s PRO 193 Cb -0.09 -1.89 1.19 0.00 0.02 0.00 0.00 34.50 33.72 2ww0 s PRO 193 CO 0.02 -1.68 2.01 1.05 -0.33 0.00 0.00 177.00 178.06 2ww0 h GLU 194 N -1.16 0.21 -0.60 5.54 9.09 -1.96 -1.87 114.58 123.83 2ww0 h GLU 194 Ca -0.44 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.96 2ww0 h GLU 194 Cb 1.23 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2ww0 h GLU 194 CO 0.51 0.14 0.00 0.27 0.05 0.00 0.00 179.01 179.98 2ww0 n ASN 195 N -4.45 2.95 -4.71 3.06 6.94 -1.26 -4.98 115.26 112.81 2ww0 n ASN 195 Ca 0.08 -2.27 -0.43 0.00 -0.02 0.00 0.00 54.58 51.94 2ww0 n ASN 195 Cb 0.42 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.36 2ww0 n ASN 195 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2ww0 n PHE 196 N 0.51 2.69 -3.73 -2.53 7.35 -0.71 -5.00 117.46 116.05 2ww0 n PHE 196 Ca 0.15 0.11 -0.14 0.00 -0.76 0.00 0.00 57.45 56.81 2ww0 n PHE 196 Cb 0.57 -2.64 -0.09 0.00 0.35 0.00 0.00 39.48 37.67 2ww0 n PHE 196 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2ww0 s LYS 197 N 0.86 0.63 -0.25 -4.13 1.02 -1.26 -4.81 119.74 111.79 2ww0 s LYS 197 Ca 0.74 0.09 -0.03 0.00 0.02 0.00 0.00 55.97 56.79 2ww0 s LYS 197 Cb -0.53 0.29 0.01 0.00 -0.52 0.00 0.00 37.83 37.08 2ww0 s LYS 197 CO 0.36 -0.15 -0.02 1.21 -0.92 0.00 0.00 175.35 175.82 2ww0 s ASN 198 N -0.80 4.50 -0.17 2.83 3.04 -0.47 -4.52 114.94 119.35 2ww0 s ASN 198 Ca -0.09 -0.71 -0.18 0.00 0.04 0.00 0.00 52.86 51.93 2ww0 s ASN 198 Cb -0.04 -1.73 -0.04 0.00 -1.54 0.00 0.00 41.25 37.90 2ww0 s ASN 198 CO 0.03 -0.11 0.48 -0.31 -3.04 0.00 0.00 177.10 174.15 2ww0 s TYR 199 N 1.41 3.42 0.13 0.43 1.51 0.05 -1.17 117.35 123.13 2ww0 s TYR 199 Ca 0.02 0.79 0.07 0.00 -1.01 0.00 0.00 57.07 56.94 2ww0 s TYR 199 Cb -0.16 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 2ww0 s TYR 199 CO -0.03 0.01 -0.17 -0.59 -1.11 0.00 0.00 175.55 173.66 2ww0 s PHE 200 N 1.23 1.63 -0.02 2.71 -0.12 0.76 -0.77 117.98 123.41 2ww0 s PHE 200 Ca 0.24 -0.49 0.03 0.00 -0.05 0.00 0.00 56.93 56.66 2ww0 s PHE 200 Cb -0.15 -0.85 -0.00 0.00 -0.63 0.00 0.00 43.02 41.39 2ww0 s PHE 200 CO 0.09 0.23 -0.09 0.42 -0.05 0.00 0.00 175.22 175.82 2ww0 s ILE 201 N -1.88 0.77 -0.10 -4.49 1.01 -0.46 -1.63 121.20 114.41 2ww0 s ILE 201 Ca 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 2ww0 s ILE 201 Cb -0.06 -0.66 0.03 0.00 0.01 0.00 0.00 42.46 41.77 2ww0 s ILE 201 CO 0.05 0.23 -0.05 -0.63 0.00 0.00 0.00 174.94 174.54 2ww0 s ILE 202 N -0.04 0.79 -0.20 2.92 1.01 0.16 -1.97 121.20 123.87 2ww0 s ILE 202 Ca 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 2ww0 s ILE 202 Cb -0.06 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 2ww0 s ILE 202 CO -0.00 0.32 -0.05 -1.61 0.00 0.00 0.00 174.94 173.60 2ww0 s GLU 203 N 1.80 3.45 -0.01 2.79 2.02 -0.04 -0.28 118.70 128.43 2ww0 s GLU 203 Ca 0.05 -0.60 -0.04 0.00 0.02 0.00 0.00 54.97 54.40 2ww0 s GLU 203 Cb -0.13 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 2ww0 s GLU 203 CO -0.07 -0.05 0.20 -0.06 0.02 0.00 0.00 175.26 175.30 2ww0 s PHE 204 N 1.11 3.56 -0.37 1.61 0.40 0.17 -0.70 117.98 123.75 2ww0 s PHE 204 Ca 0.01 0.41 0.05 0.00 -0.60 0.00 0.00 56.93 56.81 2ww0 s PHE 204 Cb -0.15 -1.87 0.53 0.00 0.51 0.00 0.00 43.02 42.05 2ww0 s PHE 204 CO -0.00 0.64 1.60 -0.40 0.70 0.00 0.00 175.22 177.76 2ww0 n ASP 205 N 1.00 3.86 -3.74 1.36 5.75 -0.89 -4.76 116.55 119.13 2ww0 n ASP 205 Ca -0.11 -3.04 -0.13 0.00 -0.01 0.00 0.00 54.79 51.51 2ww0 n ASP 205 Cb 0.53 -0.72 -0.13 0.00 -1.03 0.00 0.00 41.12 39.77 2ww0 n ASP 205 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2ww0 s LYS 206 N -2.40 0.20 0.44 0.11 2.36 -1.26 -4.89 119.74 114.30 2ww0 s LYS 206 Ca 0.42 0.50 -0.24 0.00 -2.55 0.00 0.00 55.97 54.09 2ww0 s LYS 206 Cb 0.34 -0.10 -0.08 0.00 -1.05 0.00 0.00 37.83 36.94 2ww0 s LYS 206 CO 0.09 -0.15 1.21 -2.14 1.55 0.00 0.00 175.35 175.91 2ww0 s PRO 207 N 1.15 3.82 -0.17 4.03 0.02 -1.26 -4.96 135.00 137.62 2ww0 s PRO 207 Ca -0.08 1.92 -0.29 0.00 0.02 0.00 0.00 61.00 62.56 2ww0 s PRO 207 Cb -0.10 -2.54 -0.00 0.00 0.02 0.00 0.00 34.50 31.89 2ww0 s PRO 207 CO -0.08 -0.54 1.03 -0.06 -0.33 0.00 0.00 177.00 177.03 2ww0 s PHE 208 N -1.43 3.40 -0.49 6.54 0.08 -1.26 -4.81 117.98 120.02 2ww0 s PHE 208 Ca 0.61 1.51 0.23 0.00 0.12 0.00 0.00 56.93 59.40 2ww0 s PHE 208 Cb -0.32 -3.24 0.01 0.00 -0.57 0.00 0.00 43.02 38.90 2ww0 s PHE 208 CO 0.40 -0.41 0.99 2.41 -0.10 0.00 0.00 175.22 178.51 2ww0 n THR 209 N 4.97 0.24 -4.03 0.64 -1.04 0.11 -4.87 114.28 110.30 2ww0 n THR 209 Ca 0.11 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 61.66 2ww0 n THR 209 Cb 0.47 0.07 -0.13 0.00 -1.82 0.00 0.00 70.33 68.92 2ww0 n THR 209 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ww0 s TYR 210 N -3.26 0.33 -0.24 -1.42 6.14 -0.87 -4.93 117.35 113.10 2ww0 s TYR 210 Ca 0.02 -0.19 -0.17 0.00 0.64 0.00 0.00 57.07 57.37 2ww0 s TYR 210 Cb 0.13 -0.21 0.07 0.00 0.42 0.00 0.00 41.96 42.37 2ww0 s TYR 210 CO 0.81 -0.04 0.60 -1.59 0.64 0.00 0.00 175.55 175.96 2ww0 s LYS 211 N -0.52 0.65 -0.04 4.97 -2.85 -1.26 -0.96 119.74 119.72 2ww0 s LYS 211 Ca -0.03 0.99 -0.19 0.00 -1.00 0.00 0.00 55.97 55.73 2ww0 s LYS 211 Cb -0.04 0.19 0.04 0.00 -2.06 0.00 0.00 37.83 35.96 2ww0 s LYS 211 CO -0.00 -0.13 0.43 0.00 0.10 0.00 0.00 175.35 175.75 2ww0 s ALA 212 N 1.07 -1.10 0.31 0.59 0.00 -0.15 -0.90 121.76 121.57 2ww0 s ALA 212 Ca -0.06 0.73 0.07 0.00 0.00 0.00 0.00 51.96 52.70 2ww0 s ALA 212 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2ww0 s ALA 212 CO -0.10 -0.29 0.30 0.95 0.00 0.00 0.00 175.76 176.62 2ww0 s THR 213 N -1.09 4.00 -0.06 0.00 -4.23 -0.72 -0.77 115.64 112.78 2ww0 s THR 213 Ca -0.11 -1.29 0.06 0.00 -1.18 0.00 0.00 61.69 59.16 2ww0 s THR 213 Cb -0.04 -3.33 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 2ww0 s THR 213 CO 0.05 -0.23 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.98 2ww0 s VAL 214 N -2.21 1.91 -0.34 2.29 1.01 0.39 -1.06 120.40 122.37 2ww0 s VAL 214 Ca 0.39 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 2ww0 s VAL 214 Cb -0.07 -1.62 0.11 0.00 0.00 0.00 0.00 36.38 34.80 2ww0 s VAL 214 CO 0.27 0.53 0.15 -0.70 0.00 0.00 0.00 175.10 175.35 2ww0 s GLU 215 N -0.08 0.76 -1.08 2.72 -6.30 0.01 -2.00 118.70 112.73 2ww0 s GLU 215 Ca -0.05 -1.26 -0.13 0.00 -2.50 0.00 0.00 54.97 51.03 2ww0 s GLU 215 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 34.13 32.08 2ww0 s GLU 215 CO 0.04 -1.06 0.86 0.09 0.02 0.00 0.00 175.26 175.20 2ww0 n ASN 216 N 4.48 -6.06 0.00 -1.70 5.03 -1.13 -2.11 115.26 113.77 2ww0 n ASN 216 Ca 0.02 -0.85 0.00 0.00 0.87 0.00 0.00 54.58 54.62 2ww0 n ASN 216 Cb 0.40 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.81 2ww0 n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww0 n GLY 217 N -1.45 2.94 3.69 7.41 0.00 -1.26 -4.98 105.19 111.53 2ww0 n GLY 217 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2ww0 n GLY 217 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww0 s ASN 218 N -0.85 7.24 -0.13 1.61 -0.87 -0.90 -4.96 114.94 116.09 2ww0 s ASN 218 Ca 0.00 1.53 -0.26 0.00 -1.57 0.00 0.00 52.86 52.56 2ww0 s ASN 218 Cb 0.00 -2.56 -0.02 0.00 -0.02 0.00 0.00 41.25 38.65 2ww0 s ASN 218 CO 0.00 -0.45 0.83 -0.22 -2.57 0.00 0.00 177.10 174.70 2ww0 s LEU 219 N 2.02 4.22 -0.28 0.60 2.96 -1.26 -0.81 118.68 126.12 2ww0 s LEU 219 Ca 0.48 1.24 0.02 0.00 -0.22 0.00 0.00 54.13 55.65 2ww0 s LEU 219 Cb -0.18 -3.26 0.08 0.00 0.50 0.00 0.00 46.19 43.33 2ww0 s LEU 219 CO 0.18 -0.34 -0.00 -1.10 -1.32 0.00 0.00 176.35 173.76 2ww0 s GLN 220 N 1.81 1.48 0.18 1.98 -0.21 -0.23 -5.00 119.66 119.68 2ww0 s GLN 220 Ca 0.40 -1.30 -0.31 0.00 0.02 0.00 0.00 55.36 54.18 2ww0 s GLN 220 Cb -0.17 -2.69 -0.09 0.00 1.00 0.00 0.00 33.01 31.06 2ww0 s GLN 220 CO 0.15 -0.76 1.38 -2.00 -2.12 0.00 0.00 175.29 171.93 2ww0 s GLU 221 N 1.26 4.33 0.00 2.91 2.12 -1.26 -1.75 118.70 126.31 2ww0 s GLU 221 Ca 0.01 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.47 2ww0 s GLU 221 Cb -0.19 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2ww0 s GLU 221 CO -0.10 -0.37 0.00 0.09 -0.54 0.00 0.00 175.26 174.34 2ww0 n ASN 222 N 3.12 -2.91 -4.64 -1.70 3.02 -0.08 -4.94 115.26 107.13 2ww0 n ASN 222 Ca 0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 2ww0 n ASN 222 Cb 0.42 -1.76 -0.05 0.00 -0.61 0.00 0.00 39.78 37.78 2ww0 n ASN 222 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ww0 s VAL 223 N -1.84 4.87 -0.07 2.41 1.01 -1.18 -4.96 120.40 120.64 2ww0 s VAL 223 Ca 0.00 1.48 0.26 0.00 0.00 0.00 0.00 61.98 63.71 2ww0 s VAL 223 Cb 0.00 -4.08 0.29 0.00 0.00 0.00 0.00 36.38 32.59 2ww0 s VAL 223 CO 0.00 -0.04 1.77 0.00 0.00 0.00 0.00 175.10 176.82 2ww0 h ALA 224 N 7.70 0.97 -2.64 5.51 0.00 -1.90 -3.22 119.26 125.67 2ww0 h ALA 224 Ca -0.24 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2ww0 h ALA 224 Cb 1.10 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.64 2ww0 h ALA 224 CO 0.85 0.16 -0.20 -2.00 0.00 0.00 0.00 179.25 178.06 2ww0 s GLU 225 N -3.45 0.54 -0.02 0.00 2.12 -1.26 -0.51 118.70 116.13 2ww0 s GLU 225 Ca 0.03 0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.87 2ww0 s GLU 225 Cb 0.08 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.75 2ww0 s GLU 225 CO 0.63 -0.08 0.01 -0.65 -0.54 0.00 0.00 175.26 174.63 2ww0 s GLN 226 N 0.02 0.07 -0.30 4.30 -1.52 0.01 -5.00 119.66 117.25 2ww0 s GLN 226 Ca -0.02 0.09 0.03 0.00 -1.95 0.00 0.00 55.36 53.51 2ww0 s GLN 226 Cb -0.03 -0.24 0.08 0.00 -0.22 0.00 0.00 33.01 32.60 2ww0 s GLN 226 CO 0.01 -0.10 -0.01 0.99 -0.25 0.00 0.00 175.29 175.93 2ww0 s THR 227 N 0.72 1.98 0.34 -0.19 2.01 -1.26 -1.12 115.64 118.11 2ww0 s THR 227 Ca -0.06 -1.86 -0.18 0.00 0.31 0.00 0.00 61.69 59.90 2ww0 s THR 227 Cb -0.09 -2.32 0.05 0.00 0.01 0.00 0.00 72.50 70.15 2ww0 s THR 227 CO -0.02 -0.36 0.79 0.28 -0.69 0.00 0.00 174.62 174.62 2ww0 s THR 228 N 1.12 0.00 0.18 -0.82 -1.32 -1.01 -5.02 115.64 108.76 2ww0 s THR 228 Ca 0.02 -0.97 -0.14 0.00 -1.21 0.00 0.00 61.69 59.40 2ww0 s THR 228 Cb -0.19 -2.59 0.07 0.00 -1.51 0.00 0.00 72.50 68.28 2ww0 s THR 228 CO -0.09 0.00 1.74 -0.78 -2.21 0.00 0.00 174.62 173.28 2ww0 h ASP 229 N 2.00 0.10 -2.93 8.08 3.58 -1.94 -0.15 116.42 125.16 2ww0 h ASP 229 Ca -0.28 0.06 -0.59 0.00 0.42 0.00 0.00 57.03 56.64 2ww0 h ASP 229 Cb 1.25 0.07 -0.39 0.00 1.72 0.00 0.00 39.33 41.97 2ww0 h ASP 229 CO 0.35 0.09 -0.81 -2.28 -2.88 0.00 0.00 179.24 173.71 2ww0 s HIS 230 N -6.14 1.26 0.36 0.28 2.46 -1.26 0.06 115.29 112.31 2ww0 s HIS 230 Ca -0.13 -2.00 -0.18 0.00 0.47 0.00 0.00 55.06 53.23 2ww0 s HIS 230 Cb 0.14 -1.31 -0.10 0.00 -0.13 0.00 0.00 32.58 31.18 2ww0 s HIS 230 CO 0.72 -0.81 0.82 0.00 -2.47 0.00 0.00 174.74 173.00 2ww0 s ALA 231 N 0.70 3.22 0.21 1.58 0.00 -1.25 -2.84 121.76 123.38 2ww0 s ALA 231 Ca 0.19 0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 2ww0 s ALA 231 Cb -0.22 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2ww0 s ALA 231 CO -0.01 0.25 0.51 0.20 0.00 0.00 0.00 175.76 176.71 2ww0 s GLY 232 N -2.19 0.06 0.04 0.00 0.00 -0.85 -1.92 107.32 102.47 2ww0 s GLY 232 Ca 0.56 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.91 2ww0 s GLY 232 CO 0.16 -0.36 -0.07 0.00 0.00 0.00 0.00 173.10 172.82 2ww0 s ALA 233 N -3.91 0.54 -0.08 3.20 0.00 0.05 0.15 121.76 121.71 2ww0 s ALA 233 Ca 0.12 -0.75 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 2ww0 s ALA 233 Cb -0.01 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2ww0 s ALA 233 CO 0.00 -0.03 -0.05 0.42 0.00 0.00 0.00 175.76 176.11 2ww0 s ILE 234 N -1.37 0.72 0.18 0.00 1.01 0.05 -0.02 121.20 121.78 2ww0 s ILE 234 Ca -0.10 -0.13 0.11 0.00 0.00 0.00 0.00 60.65 60.52 2ww0 s ILE 234 Cb -0.10 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 2ww0 s ILE 234 CO 0.00 0.30 -0.20 0.27 0.00 0.00 0.00 174.94 175.31 2ww0 s ILE 235 N 1.56 2.58 0.33 2.92 -5.25 -0.91 -0.98 121.20 121.45 2ww0 s ILE 235 Ca 0.00 -1.89 -0.04 0.00 -0.99 0.00 0.00 60.65 57.73 2ww0 s ILE 235 Cb -0.13 -2.24 0.00 0.00 2.95 0.00 0.00 42.46 43.04 2ww0 s ILE 235 CO -0.05 -0.09 0.48 -0.83 -1.79 0.00 0.00 174.94 172.66 2ww0 s GLY 236 N -2.64 1.35 -0.00 6.27 0.00 -0.14 -0.58 107.32 111.58 2ww0 s GLY 236 Ca 0.21 -1.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.20 2ww0 s GLY 236 CO 0.11 -0.95 1.26 -0.11 0.00 0.00 0.00 173.10 173.41 2ww0 s PHE 237 N -3.14 -0.04 0.14 1.90 -0.00 -0.36 0.04 117.98 116.53 2ww0 s PHE 237 Ca 0.29 -0.09 -0.21 0.00 -0.00 0.00 0.00 56.93 56.92 2ww0 s PHE 237 Cb -0.00 0.56 -0.07 0.00 -0.00 0.00 0.00 43.02 43.50 2ww0 s PHE 237 CO 0.19 -0.33 0.68 0.15 -0.00 0.00 0.00 175.22 175.91 2ww0 s LYS 238 N -2.43 4.34 0.02 1.99 1.02 -1.26 -1.74 119.74 121.68 2ww0 s LYS 238 Ca 0.16 0.91 0.06 0.00 0.02 0.00 0.00 55.97 57.12 2ww0 s LYS 238 Cb 0.04 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.16 2ww0 s LYS 238 CO -0.03 0.56 -0.18 0.95 -0.92 0.00 0.00 175.35 175.73 2ww0 s THR 239 N -1.22 1.44 0.46 2.17 -4.23 0.03 -4.97 115.64 109.32 2ww0 s THR 239 Ca 0.35 -1.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.71 2ww0 s THR 239 Cb -0.20 -1.24 -0.07 0.00 1.34 0.00 0.00 72.50 72.32 2ww0 s THR 239 CO 0.22 0.22 0.89 -0.13 -0.54 0.00 0.00 174.62 175.28 2ww0 s ARG 240 N -0.92 3.89 0.01 3.99 0.52 -1.26 -1.82 118.95 123.37 2ww0 s ARG 240 Ca 0.06 0.76 -0.36 0.00 -0.52 0.00 0.00 55.73 55.67 2ww0 s ARG 240 Cb -0.08 -2.25 -0.14 0.00 0.52 0.00 0.00 34.95 33.00 2ww0 s ARG 240 CO 0.01 -0.16 1.62 1.17 0.02 0.00 0.00 175.30 177.96 2ww0 n LYS 241 N -1.40 1.74 -0.96 3.54 4.81 -1.26 -0.84 118.16 123.79 2ww0 n LYS 241 Ca 0.05 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 2ww0 n LYS 241 Cb 0.54 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.22 2ww0 n LYS 241 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ww0 n GLY 242 N 3.55 0.82 3.75 3.14 0.00 0.00 -4.85 105.19 111.60 2ww0 n GLY 242 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2ww0 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ww0 s GLU 243 N -0.04 4.22 -0.14 1.61 2.12 -0.02 -4.65 118.70 121.80 2ww0 s GLU 243 Ca 0.00 2.39 -0.05 0.00 0.36 0.00 0.00 54.97 57.67 2ww0 s GLU 243 Cb 0.00 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 2ww0 s GLU 243 CO 0.00 -0.50 0.04 -0.65 -0.54 0.00 0.00 175.26 173.61 2ww0 s GLN 244 N -0.34 3.54 -0.13 4.30 -0.21 -1.26 -0.98 119.66 124.59 2ww0 s GLN 244 Ca 0.61 -0.37 0.03 0.00 0.02 0.00 0.00 55.36 55.65 2ww0 s GLN 244 Cb -0.44 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.55 2ww0 s GLN 244 CO 0.44 0.47 -0.22 0.08 -2.12 0.00 0.00 175.29 173.95 2ww0 s VAL 245 N -0.21 2.16 -0.05 1.09 1.01 -0.39 -4.96 120.40 119.04 2ww0 s VAL 245 Ca 0.07 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2ww0 s VAL 245 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2ww0 s VAL 245 CO 0.02 0.55 0.11 0.20 0.00 0.00 0.00 175.10 175.97 2ww0 s ASN 246 N 0.63 5.96 -0.14 3.32 0.01 -1.26 -0.69 114.94 122.77 2ww0 s ASN 246 Ca -0.11 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 2ww0 s ASN 246 Cb -0.16 -1.81 0.02 0.00 0.41 0.00 0.00 41.25 39.71 2ww0 s ASN 246 CO 0.02 0.33 -0.12 0.00 -1.51 0.00 0.00 177.10 175.83 2ww0 s ALA 247 N -1.12 1.69 -0.16 0.60 0.00 -0.41 -2.10 121.76 120.26 2ww0 s ALA 247 Ca 0.20 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 2ww0 s ALA 247 Cb -0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2ww0 s ALA 247 CO 0.10 -0.42 0.57 1.03 0.00 0.00 0.00 175.76 177.04 2ww0 s ARG 248 N 1.56 4.26 0.03 0.00 0.52 0.12 -1.00 118.95 124.44 2ww0 s ARG 248 Ca 0.05 0.55 0.04 0.00 -0.52 0.00 0.00 55.73 55.85 2ww0 s ARG 248 Cb -0.13 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.80 2ww0 s ARG 248 CO -0.10 -0.08 -0.13 0.42 0.02 0.00 0.00 175.30 175.43 2ww0 s ILE 249 N 1.39 1.01 0.12 1.52 1.01 -0.19 -0.86 121.20 125.20 2ww0 s ILE 249 Ca 0.28 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 2ww0 s ILE 249 Cb -0.16 -0.92 0.04 0.00 0.01 0.00 0.00 42.46 41.44 2ww0 s ILE 249 CO 0.11 0.00 0.44 0.00 0.00 0.00 0.00 174.94 175.50 2ww0 s ALA 250 N -0.80 -1.08 0.11 9.38 0.00 -0.83 -0.80 121.76 127.73 2ww0 s ALA 250 Ca 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 2ww0 s ALA 250 Cb -0.07 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2ww0 s ALA 250 CO 0.01 -0.63 0.06 -1.54 0.00 0.00 0.00 175.76 173.65 2ww0 s SER 251 N -2.65 0.33 0.09 0.00 1.04 -1.21 -1.35 113.70 109.95 2ww0 s SER 251 Ca 0.01 -1.11 -0.02 0.00 0.48 0.00 0.00 55.95 55.31 2ww0 s SER 251 Cb 0.01 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2ww0 s SER 251 CO -0.10 -0.71 0.04 -0.55 0.98 0.00 0.00 173.24 172.90 2ww0 s SER 252 N -3.00 0.37 0.00 7.02 0.15 0.05 -4.73 113.70 113.55 2ww0 s SER 252 Ca 0.19 -1.05 0.23 0.00 0.70 0.00 0.00 55.95 56.01 2ww0 s SER 252 Cb 0.07 0.26 0.55 0.00 -1.71 0.00 0.00 66.02 65.19 2ww0 s SER 252 CO -0.02 -0.68 1.48 0.49 1.20 0.00 0.00 173.24 175.71 2ww0 n PHE 253 N -0.00 0.75 -0.04 3.44 3.01 -1.26 -0.77 117.46 122.59 2ww0 n PHE 253 Ca -0.10 -0.37 -0.06 0.00 1.01 0.00 0.00 57.45 57.92 2ww0 n PHE 253 Cb 0.62 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.07 2ww0 n PHE 253 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2ww0 n ILE 254 N 1.54 1.36 -3.74 4.37 5.41 -1.26 -4.75 119.36 122.29 2ww0 n ILE 254 Ca 0.22 0.22 -0.04 0.00 1.00 0.00 0.00 62.75 64.15 2ww0 n ILE 254 Cb 0.61 -2.02 -0.01 0.00 -0.71 0.00 0.00 39.64 37.50 2ww0 n ILE 254 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2ww0 s SER 255 N -5.98 -0.21 0.21 4.38 1.04 -1.26 -4.99 113.70 106.89 2ww0 s SER 255 Ca -0.18 -0.39 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 2ww0 s SER 255 Cb 0.03 0.51 0.16 0.00 0.10 0.00 0.00 66.02 66.82 2ww0 s SER 255 CO 0.26 -0.94 1.68 -0.26 0.98 0.00 0.00 173.24 174.95 2ww0 h PHE 256 N 2.00 1.06 -0.82 5.02 0.04 -1.94 -1.04 116.94 121.25 2ww0 h PHE 256 Ca -0.23 -0.18 0.06 0.00 2.80 0.00 0.00 57.97 60.42 2ww0 h PHE 256 Cb 1.23 -0.28 -0.06 0.00 2.20 0.00 0.00 35.95 39.05 2ww0 h PHE 256 CO 0.38 0.95 0.50 0.93 -0.60 0.00 0.00 178.31 180.47 2ww0 h GLU 257 N 0.89 0.90 -0.21 1.51 5.08 -1.99 -0.41 114.58 120.34 2ww0 h GLU 257 Ca 0.16 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 2ww0 h GLU 257 Cb 0.55 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ww0 h GLU 257 CO 0.03 0.60 -0.50 0.37 -1.00 0.00 0.00 179.01 178.51 2ww0 h GLN 258 N 0.93 0.58 -0.90 2.33 5.75 -1.86 -2.17 115.11 119.77 2ww0 h GLN 258 Ca 0.36 -0.34 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2ww0 h GLN 258 Cb 0.16 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 2ww0 h GLN 258 CO -0.17 0.94 0.50 0.00 -2.65 0.00 0.00 178.83 177.46 2ww0 h ALA 259 N 1.00 1.19 -0.29 3.38 0.00 -0.26 -0.18 119.26 124.09 2ww0 h ALA 259 Ca 0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2ww0 h ALA 259 Cb 1.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2ww0 h ALA 259 CO 0.10 0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.83 2ww0 h ALA 260 N 1.29 1.15 -0.31 0.00 0.00 -0.74 -0.65 119.26 120.00 2ww0 h ALA 260 Ca 0.32 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2ww0 h ALA 260 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ww0 h ALA 260 CO -0.05 0.54 -0.06 0.00 0.00 0.00 0.00 179.25 179.68 2ww0 h ALA 261 N 1.33 0.42 -0.60 0.00 0.00 -0.78 -2.97 119.26 116.66 2ww0 h ALA 261 Ca 0.08 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2ww0 h ALA 261 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2ww0 h ALA 261 CO 0.04 0.23 0.40 -0.91 0.00 0.00 0.00 179.25 179.01 2ww0 h ASN 262 N 0.36 0.59 -0.40 0.00 2.35 -0.49 -1.49 115.58 116.49 2ww0 h ASN 262 Ca 0.08 -0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.94 2ww0 h ASN 262 Cb 0.53 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 2ww0 h ASN 262 CO 0.03 0.40 0.42 -0.03 -1.65 0.00 0.00 177.43 176.59 2ww0 h MET 263 N 0.68 0.00 0.00 0.81 4.05 -0.96 -1.35 114.93 118.15 2ww0 h MET 263 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2ww0 h MET 263 Cb 0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2ww0 h MET 263 CO -0.07 0.00 0.00 0.09 0.23 0.00 0.00 176.91 177.16 2ww0 n ASN 264 N -3.78 0.51 0.29 1.39 5.03 -0.56 -2.08 115.26 116.06 2ww0 n ASN 264 Ca 0.07 0.65 0.15 0.00 0.87 0.00 0.00 54.58 56.32 2ww0 n ASN 264 Cb 0.59 -0.75 0.91 0.00 -1.02 0.00 0.00 39.78 39.52 2ww0 n ASN 264 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ww0 h GLU 265 N 0.00 0.00 0.00 3.52 5.08 -1.43 -0.49 114.58 121.26 2ww0 h GLU 265 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ww0 h GLU 265 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2ww0 h GLU 265 CO 0.00 0.00 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.83 2ww0 h LEU 266 N 0.00 0.00 0.00 1.33 3.38 -1.65 -3.49 115.31 114.88 2ww0 h LEU 266 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ww0 h LEU 266 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ww0 h LEU 266 CO -0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 2ww0 n GLY 267 N 0.89 3.17 0.70 0.83 0.00 -0.20 -1.85 105.19 108.74 2ww0 n GLY 267 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.99 2ww0 n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww0 n LYS 268 N 14.00 2.45 -1.93 1.61 4.76 -1.26 -4.98 118.16 132.82 2ww0 n LYS 268 Ca 0.00 -2.80 -0.33 0.00 -2.87 0.00 0.00 58.31 52.30 2ww0 n LYS 268 Cb 0.00 -1.76 0.03 0.00 -1.84 0.00 0.00 35.03 31.46 2ww0 n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2ww0 s ASP 269 N -2.21 5.36 0.54 4.39 1.01 -0.77 -5.07 116.67 119.91 2ww0 s ASP 269 Ca 0.40 2.02 0.09 0.00 0.71 0.00 0.00 52.55 55.77 2ww0 s ASP 269 Cb 0.33 -2.56 0.09 0.00 1.01 0.00 0.00 42.92 41.79 2ww0 s ASP 269 CO 0.07 -1.46 0.75 -0.46 0.21 0.00 0.00 175.17 174.27 2ww0 n ASN 270 N -2.08 1.98 -0.13 0.27 0.23 -1.26 -4.91 115.26 109.36 2ww0 n ASN 270 Ca 0.10 -2.44 -0.04 0.00 -0.53 0.00 0.00 54.58 51.67 2ww0 n ASN 270 Cb 0.52 -0.39 0.02 0.00 -2.08 0.00 0.00 39.78 37.85 2ww0 n ASN 270 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2ww0 h ILE 271 N 0.10 0.59 -0.18 1.53 1.08 -1.96 -1.44 117.51 117.22 2ww0 h ILE 271 Ca -0.25 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.24 2ww0 h ILE 271 Cb 1.17 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 2ww0 h ILE 271 CO 0.36 0.00 -0.01 -0.33 -0.69 0.00 0.00 178.15 177.49 2ww0 h GLU 272 N 0.02 0.05 -0.37 2.37 3.07 -1.99 0.93 114.58 118.66 2ww0 h GLU 272 Ca 0.21 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.95 2ww0 h GLU 272 Cb 0.31 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2ww0 h GLU 272 CO -0.42 0.03 -0.23 1.96 -1.40 0.00 0.00 179.01 178.95 2ww0 h GLN 273 N 0.05 0.73 -0.27 2.33 4.20 -1.85 -0.68 115.11 119.63 2ww0 h GLN 273 Ca 0.08 -0.29 -0.14 0.00 0.06 0.00 0.00 58.65 58.37 2ww0 h GLN 273 Cb 0.11 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2ww0 h GLN 273 CO -0.15 0.89 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.47 2ww0 h LEU 274 N 0.64 0.78 -0.52 1.46 3.38 -1.02 -1.31 115.31 118.72 2ww0 h LEU 274 Ca 0.09 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.64 2ww0 h LEU 274 Cb 0.73 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 2ww0 h LEU 274 CO 0.06 1.13 0.15 0.00 0.09 0.00 0.00 178.44 179.87 2ww0 h ALA 275 N 0.67 0.62 -0.67 1.53 0.00 -0.62 0.24 119.26 121.04 2ww0 h ALA 275 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ww0 h ALA 275 Cb 0.95 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2ww0 h ALA 275 CO 0.09 -0.26 0.42 0.37 0.00 0.00 0.00 179.25 179.86 2ww0 h GLN 276 N 0.30 0.89 -0.58 0.00 5.75 -0.89 0.12 115.11 120.71 2ww0 h GLN 276 Ca 0.26 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.61 2ww0 h GLN 276 Cb 0.32 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2ww0 h GLN 276 CO -0.30 0.62 0.05 0.87 -2.65 0.00 0.00 178.83 177.42 2ww0 h LYS 277 N 0.90 0.99 -0.51 1.69 1.57 -0.36 0.72 116.57 121.57 2ww0 h LYS 277 Ca 0.24 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2ww0 h LYS 277 Cb -0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2ww0 h LYS 277 CO -0.05 0.96 0.13 0.78 -0.57 0.00 0.00 179.45 180.70 2ww0 h GLY 278 N 0.88 0.87 0.82 3.86 0.00 -0.63 0.75 103.07 109.62 2ww0 h GLY 278 Ca 0.17 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 46.98 2ww0 h GLY 278 CO 0.02 0.51 0.01 1.70 0.00 0.00 0.00 176.54 178.78 2ww0 h LYS 279 N 0.70 0.06 -0.68 4.80 3.64 -0.54 -0.70 116.57 123.85 2ww0 h LYS 279 Ca 0.16 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 2ww0 h LYS 279 Cb 0.33 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 2ww0 h LYS 279 CO 0.00 0.04 0.33 -0.44 -2.27 0.00 0.00 179.45 177.11 2ww0 h ASP 280 N 0.06 0.43 -0.53 4.20 3.32 -0.62 0.92 116.42 124.20 2ww0 h ASP 280 Ca 0.06 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2ww0 h ASP 280 Cb 0.07 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2ww0 h ASP 280 CO -0.10 0.25 0.33 0.00 -1.72 0.00 0.00 179.24 178.01 2ww0 h ALA 281 N 1.41 0.67 -0.19 3.45 0.00 -0.40 -0.83 119.26 123.37 2ww0 h ALA 281 Ca 0.33 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 2ww0 h ALA 281 Cb 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ww0 h ALA 281 CO -0.26 0.14 -0.50 -1.49 0.00 0.00 0.00 179.25 177.14 2ww0 h TRP 282 N 0.71 0.87 0.00 0.00 4.06 -0.63 -2.98 115.95 117.98 2ww0 h TRP 282 Ca 0.19 -0.34 -0.02 0.00 2.06 0.00 0.00 58.89 60.79 2ww0 h TRP 282 Cb -0.05 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 27.96 2ww0 h TRP 282 CO -0.03 1.12 -0.09 -0.91 -3.56 0.00 0.00 178.44 174.98 2ww0 h ASN 283 N 0.37 0.00 -0.28 -3.49 -0.26 -0.68 0.20 115.58 111.44 2ww0 h ASN 283 Ca -0.01 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.67 2ww0 h ASN 283 Cb 1.12 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.36 2ww0 h ASN 283 CO 0.11 0.09 -0.01 -0.61 -1.06 0.00 0.00 177.43 175.95 2ww0 h GLN 284 N 0.00 0.61 0.06 0.81 5.75 -1.00 0.85 115.11 122.20 2ww0 h GLN 284 Ca -0.00 -0.15 -0.37 0.00 -0.15 0.00 0.00 58.65 57.98 2ww0 h GLN 284 Cb 0.15 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 2ww0 h GLN 284 CO 0.01 0.64 -2.17 1.33 -2.65 0.00 0.00 178.83 175.99 2ww0 n VAL 285 N -4.25 1.65 -0.20 2.39 0.24 -0.69 -4.15 118.33 113.31 2ww0 n VAL 285 Ca 0.02 -0.65 -0.00 0.00 -2.04 0.00 0.00 64.34 61.67 2ww0 n VAL 285 Cb 0.27 -1.50 0.24 0.00 -1.47 0.00 0.00 33.84 31.37 2ww0 n VAL 285 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2ww0 h LEU 286 N 0.04 0.85 0.00 1.34 3.38 -0.67 -2.92 115.31 117.32 2ww0 h LEU 286 Ca -0.48 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2ww0 h LEU 286 Cb 2.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2ww0 h LEU 286 CO 0.02 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2ww0 n GLY 287 N -1.32 -0.85 0.14 0.83 0.00 0.29 -2.38 105.19 101.89 2ww0 n GLY 287 Ca 0.07 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2ww0 n GLY 287 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ww0 n LYS 288 N -1.45 0.18 -3.68 1.61 4.76 -1.10 -4.25 118.16 114.23 2ww0 n LYS 288 Ca 0.03 0.47 -0.30 0.00 -2.87 0.00 0.00 58.31 55.65 2ww0 n LYS 288 Cb 0.13 -1.89 -0.15 0.00 -1.84 0.00 0.00 35.03 31.28 2ww0 n LYS 288 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2ww0 s ILE 289 N -3.36 0.68 -0.12 -0.18 1.01 -1.00 -0.76 121.20 117.46 2ww0 s ILE 289 Ca 0.03 -1.38 -0.14 0.00 0.00 0.00 0.00 60.65 59.16 2ww0 s ILE 289 Cb 0.09 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 2ww0 s ILE 289 CO 0.35 -0.72 0.32 -1.61 0.00 0.00 0.00 174.94 173.28 2ww0 s GLU 290 N 1.58 4.13 0.08 2.79 2.02 -0.64 -4.93 118.70 123.74 2ww0 s GLU 290 Ca 0.11 0.17 0.09 0.00 0.02 0.00 0.00 54.97 55.36 2ww0 s GLU 290 Cb -0.18 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 2ww0 s GLU 290 CO -0.24 0.36 -0.25 0.14 0.02 0.00 0.00 175.26 175.29 2ww0 s VAL 291 N 0.07 2.05 0.17 2.63 -7.23 -1.26 -0.11 120.40 116.73 2ww0 s VAL 291 Ca 0.19 -1.52 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2ww0 s VAL 291 Cb -0.14 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 2ww0 s VAL 291 CO 0.06 0.18 0.22 -1.61 -0.31 0.00 0.00 175.10 173.64 2ww0 s GLU 292 N -1.63 1.16 -0.52 4.82 2.02 0.11 -4.96 118.70 119.70 2ww0 s GLU 292 Ca 0.11 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 53.76 2ww0 s GLU 292 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.47 2ww0 s GLU 292 CO 0.04 -0.40 0.44 0.41 0.02 0.00 0.00 175.26 175.76 2ww0 n GLY 293 N -0.21 0.13 3.36 -1.39 0.00 -1.26 -2.32 105.19 103.49 2ww0 n GLY 293 Ca -0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 2ww0 n GLY 293 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ww0 s GLY 294 N -3.52 1.60 0.60 -0.02 0.00 -1.26 -2.73 107.32 101.98 2ww0 s GLY 294 Ca 0.04 -1.65 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 2ww0 s GLY 294 CO 0.31 -1.21 0.87 0.54 0.00 0.00 0.00 173.10 173.62 2ww0 s ASN 295 N -3.23 5.33 0.34 1.64 2.20 -1.26 -4.91 114.94 115.05 2ww0 s ASN 295 Ca 0.35 0.42 0.02 0.00 -0.94 0.00 0.00 52.86 52.71 2ww0 s ASN 295 Cb 0.03 -1.32 0.62 0.00 -2.00 0.00 0.00 41.25 38.58 2ww0 s ASN 295 CO 0.19 -1.19 1.98 0.25 -2.94 0.00 0.00 177.10 175.39 2ww0 h LEU 296 N -0.17 0.77 -0.71 3.54 5.85 -2.02 -1.16 115.31 121.40 2ww0 h LEU 296 Ca -0.44 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.29 2ww0 h LEU 296 Cb 1.28 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 2ww0 h LEU 296 CO 0.58 0.54 0.45 0.44 -0.34 0.00 0.00 178.44 180.11 2ww0 h ASP 297 N 0.89 0.74 -0.40 1.25 3.32 -1.99 -1.08 116.42 119.16 2ww0 h ASP 297 Ca 0.28 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 2ww0 h ASP 297 Cb 0.01 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2ww0 h ASP 297 CO -0.07 0.51 -0.08 1.56 -1.72 0.00 0.00 179.24 179.44 2ww0 h GLN 298 N 0.88 0.76 -0.18 3.56 4.20 -1.62 0.14 115.11 122.85 2ww0 h GLN 298 Ca 0.29 -0.28 0.02 0.00 0.06 0.00 0.00 58.65 58.74 2ww0 h GLN 298 Cb 0.01 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2ww0 h GLN 298 CO -0.11 0.88 0.04 1.88 -0.67 0.00 0.00 178.83 180.85 2ww0 h TYR 299 N 0.57 0.06 -0.10 2.96 0.05 -1.07 0.28 116.97 119.72 2ww0 h TYR 299 Ca 0.10 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 2ww0 h TYR 299 Cb 0.59 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.33 2ww0 h TYR 299 CO 0.05 0.02 0.06 0.00 -1.05 0.00 0.00 178.16 177.24 2ww0 h ARG 300 N 0.11 0.14 -0.69 4.88 3.08 -0.95 0.55 114.38 121.49 2ww0 h ARG 300 Ca 0.08 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.16 2ww0 h ARG 300 Cb 0.07 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 2ww0 h ARG 300 CO -0.11 0.12 0.41 1.15 -1.07 0.00 0.00 179.97 180.48 2ww0 h THR 301 N 0.11 1.04 0.06 2.04 2.02 -0.47 -0.71 112.91 117.00 2ww0 h THR 301 Ca 0.04 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2ww0 h THR 301 Cb 0.02 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2ww0 h THR 301 CO -0.01 0.14 -0.03 0.15 0.37 0.00 0.00 175.52 176.15 2ww0 h PHE 302 N 0.78 -0.08 0.00 3.16 3.57 0.17 -1.90 116.94 122.65 2ww0 h PHE 302 Ca 0.29 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.66 2ww0 h PHE 302 Cb 0.10 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2ww0 h PHE 302 CO -0.06 0.29 -0.61 1.88 -2.23 0.00 0.00 178.31 177.58 2ww0 h TYR 303 N -0.45 0.00 -0.37 0.41 0.05 -0.85 -1.33 116.97 114.43 2ww0 h TYR 303 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2ww0 h TYR 303 Cb 0.40 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 2ww0 h TYR 303 CO 0.05 0.61 0.14 0.77 -1.05 0.00 0.00 178.16 178.68 2ww0 h SER 304 N 0.00 0.52 -0.71 3.88 0.02 -1.13 -0.55 113.55 115.58 2ww0 h SER 304 Ca -0.01 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 2ww0 h SER 304 Cb 1.24 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 2ww0 h SER 304 CO 0.08 0.56 0.44 0.00 -1.14 0.00 0.00 176.83 176.77 2ww0 h LEU 306 N 0.85 0.96 -0.96 0.00 5.85 -0.98 -1.66 115.31 119.37 2ww0 h LEU 306 Ca 0.29 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2ww0 h LEU 306 Cb 0.05 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2ww0 h LEU 306 CO -0.12 0.92 0.60 0.22 -0.34 0.00 0.00 178.44 179.73 2ww0 h TYR 307 N 0.95 1.25 0.00 1.25 3.20 -0.75 -1.11 116.97 121.75 2ww0 h TYR 307 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2ww0 h TYR 307 Cb 0.32 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2ww0 h TYR 307 CO 0.02 0.81 0.00 0.00 -1.64 0.00 0.00 178.16 177.35 2ww0 h ARG 308 N 1.32 0.00 -0.16 1.82 2.47 -0.40 -2.63 114.38 116.81 2ww0 h ARG 308 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2ww0 h ARG 308 Cb -0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 2ww0 h ARG 308 CO -0.07 0.00 0.00 0.43 0.56 0.00 0.00 179.97 180.89 2ww0 n SER 309 N -2.37 2.46 -0.40 7.04 7.64 -0.43 -3.77 113.62 123.78 2ww0 n SER 309 Ca 0.02 -1.82 0.07 0.00 1.01 0.00 0.00 58.87 58.15 2ww0 n SER 309 Cb 0.24 -0.10 0.18 0.00 -1.01 0.00 0.00 64.21 63.52 2ww0 n SER 309 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ww0 n LEU 310 N 0.87 2.71 -0.08 -3.43 4.77 -0.99 -4.73 117.00 116.13 2ww0 n LEU 310 Ca 0.17 -3.45 -0.13 0.00 -0.03 0.00 0.00 56.01 52.57 2ww0 n LEU 310 Cb 0.48 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2ww0 n LEU 310 CO 0.15 1.02 -1.02 0.18 -1.33 0.00 0.00 177.39 176.39 2ww0 n LEU 311 N -1.23 2.21 -4.87 2.23 4.77 -1.26 -1.02 117.00 117.83 2ww0 n LEU 311 Ca 0.19 0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 2ww0 n LEU 311 Cb 0.70 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2ww0 n LEU 311 CO 0.01 0.58 0.01 -0.36 -1.33 0.00 0.00 177.39 176.30 2ww0 s PHE 312 N -2.30 2.34 0.20 -1.77 0.40 -1.26 -3.61 117.98 111.98 2ww0 s PHE 312 Ca -0.21 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 55.36 2ww0 s PHE 312 Cb 0.07 -2.08 -0.10 0.00 0.51 0.00 0.00 43.02 41.42 2ww0 s PHE 312 CO 0.32 -0.23 0.14 -0.35 0.70 0.00 0.00 175.22 175.80 2ww0 n PRO 313 N -1.60 0.00 -2.86 0.24 -0.04 -1.26 -5.01 135.00 124.47 2ww0 n PRO 313 Ca 0.02 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.18 2ww0 n PRO 313 Cb 0.63 -0.61 -0.03 0.00 -0.04 0.00 0.00 33.50 33.45 2ww0 n PRO 313 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2ww0 s ARG 314 N -0.61 3.81 0.30 0.54 1.70 -0.37 -4.77 118.95 119.54 2ww0 s ARG 314 Ca 0.37 0.51 -0.29 0.00 -0.47 0.00 0.00 55.73 55.85 2ww0 s ARG 314 Cb -0.45 -2.38 -0.11 0.00 -0.57 0.00 0.00 34.95 31.44 2ww0 s ARG 314 CO 0.37 -0.03 1.46 0.15 -1.08 0.00 0.00 175.30 176.17 2ww0 s LYS 315 N -3.77 4.22 -0.12 3.89 1.02 -0.19 -1.80 119.74 122.98 2ww0 s LYS 315 Ca 0.52 2.40 0.14 0.00 0.02 0.00 0.00 55.97 59.06 2ww0 s LYS 315 Cb -0.10 -3.06 0.32 0.00 -0.52 0.00 0.00 37.83 34.47 2ww0 s LYS 315 CO 0.30 -0.45 1.16 0.34 -0.92 0.00 0.00 175.35 175.78 2ww0 n PHE 316 N 1.69 0.00 -4.38 3.18 7.35 0.13 -3.95 117.46 121.47 2ww0 n PHE 316 Ca 0.05 -0.99 -0.26 0.00 -0.76 0.00 0.00 57.45 55.49 2ww0 n PHE 316 Cb 0.40 -0.18 -0.11 0.00 0.35 0.00 0.00 39.48 39.94 2ww0 n PHE 316 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2ww0 s TYR 317 N -2.22 2.42 0.15 -5.13 -0.85 -1.19 -4.41 117.35 106.12 2ww0 s TYR 317 Ca 0.30 -0.31 0.08 0.00 -0.52 0.00 0.00 57.07 56.63 2ww0 s TYR 317 Cb 0.29 -1.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.42 2ww0 s TYR 317 CO -0.04 0.54 -0.18 -1.21 -1.52 0.00 0.00 175.55 173.14 2ww0 s GLU 318 N -2.86 1.22 -0.01 -3.49 2.02 0.13 -4.91 118.70 110.79 2ww0 s GLU 318 Ca 0.24 -1.36 -0.22 0.00 0.02 0.00 0.00 54.97 53.65 2ww0 s GLU 318 Cb -0.08 -1.26 -0.05 0.00 0.10 0.00 0.00 34.13 32.84 2ww0 s GLU 318 CO 0.12 0.26 0.64 -0.51 0.02 0.00 0.00 175.26 175.80 2ww0 s LEU 319 N -2.58 4.39 0.00 1.80 1.02 -1.26 -0.78 118.68 121.28 2ww0 s LEU 319 Ca 0.14 1.21 -0.02 0.00 0.02 0.00 0.00 54.13 55.48 2ww0 s LEU 319 Cb -0.06 -3.01 0.07 0.00 0.02 0.00 0.00 46.19 43.21 2ww0 s LEU 319 CO 0.06 0.03 0.44 -0.90 0.02 0.00 0.00 176.35 176.01 2ww0 n ASP 320 N 3.01 0.45 -0.09 2.29 5.68 0.10 -4.87 116.55 123.13 2ww0 n ASP 320 Ca -0.05 -1.42 0.18 0.00 -0.50 0.00 0.00 54.79 53.01 2ww0 n ASP 320 Cb 0.51 -0.30 0.60 0.00 -1.14 0.00 0.00 41.12 40.79 2ww0 n ASP 320 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ww0 h ALA 321 N -0.81 2.33 -0.56 2.12 0.00 -1.98 0.20 119.26 120.56 2ww0 h ALA 321 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ww0 h ALA 321 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ww0 h ALA 321 CO 0.14 -0.51 0.00 0.09 0.00 0.00 0.00 179.25 178.98 2ww0 n ASN 322 N -4.42 4.23 -0.46 0.00 3.02 -1.26 -4.90 115.26 111.47 2ww0 n ASN 322 Ca 0.12 -2.41 -0.06 0.00 -0.03 0.00 0.00 54.58 52.20 2ww0 n ASN 322 Cb 0.58 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2ww0 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ww0 n GLY 323 N 1.00 0.74 3.80 7.41 0.00 0.70 -5.00 105.19 113.84 2ww0 n GLY 323 Ca 0.22 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2ww0 n GLY 323 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 324 N -2.10 4.39 0.18 1.61 -1.52 -1.26 -4.70 119.66 116.27 2ww0 s GLN 324 Ca 0.00 0.98 -0.30 0.00 -1.95 0.00 0.00 55.36 54.09 2ww0 s GLN 324 Cb 0.00 -3.14 -0.08 0.00 -0.22 0.00 0.00 33.01 29.57 2ww0 s GLN 324 CO 0.00 0.53 1.31 -1.25 -0.25 0.00 0.00 175.29 175.64 2ww0 s PRO 325 N -1.39 4.38 0.15 2.91 0.04 -1.26 -0.72 135.00 139.11 2ww0 s PRO 325 Ca 0.36 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.44 2ww0 s PRO 325 Cb -0.20 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2ww0 s PRO 325 CO 0.23 -0.28 0.06 0.96 0.04 0.00 0.00 177.00 178.01 2ww0 s ILE 326 N 0.32 0.23 0.00 0.56 -4.36 0.04 -1.06 121.20 116.92 2ww0 s ILE 326 Ca 0.58 -1.94 -0.19 0.00 -0.26 0.00 0.00 60.65 58.84 2ww0 s ILE 326 Cb -0.36 -2.14 0.04 0.00 1.25 0.00 0.00 42.46 41.24 2ww0 s ILE 326 CO 0.36 -0.39 0.41 -1.38 0.24 0.00 0.00 174.94 174.19 2ww0 s HIS 327 N -3.97 -0.29 -0.01 1.37 -3.43 0.81 0.20 115.29 109.97 2ww0 s HIS 327 Ca 0.27 0.40 -0.30 0.00 -0.80 0.00 0.00 55.06 54.62 2ww0 s HIS 327 Cb 0.07 0.20 -0.04 0.00 -1.43 0.00 0.00 32.58 31.38 2ww0 s HIS 327 CO 0.04 -0.50 1.13 -0.47 -2.00 0.00 0.00 174.74 172.94 2ww0 s TYR 328 N -1.74 3.41 -0.39 0.38 5.04 -1.26 -0.54 117.35 122.25 2ww0 s TYR 328 Ca -0.10 1.39 -0.27 0.00 -2.44 0.00 0.00 57.07 55.65 2ww0 s TYR 328 Cb -0.03 -3.33 0.02 0.00 0.35 0.00 0.00 41.96 38.97 2ww0 s TYR 328 CO 0.03 -0.90 0.97 0.45 -1.34 0.00 0.00 175.55 174.76 2ww0 s SER 329 N 1.20 6.68 0.33 4.32 0.15 0.11 -4.88 113.70 121.62 2ww0 s SER 329 Ca 0.55 0.57 0.26 0.00 0.70 0.00 0.00 55.95 58.02 2ww0 s SER 329 Cb -0.25 -2.48 1.13 0.00 -1.71 0.00 0.00 66.02 62.71 2ww0 s SER 329 CO 0.25 -0.93 1.78 -0.65 1.20 0.00 0.00 173.24 174.89 2ww0 h PRO 330 N 8.59 0.00 0.16 5.44 0.11 -1.90 0.56 132.00 144.96 2ww0 h PRO 330 Ca -0.23 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.60 2ww0 h PRO 330 Cb 1.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.20 2ww0 h PRO 330 CO 1.01 0.00 -1.37 1.88 -0.21 0.00 0.00 178.00 179.31 2ww0 h TYR 331 N 0.00 0.61 0.00 0.65 0.05 -1.90 -3.30 116.97 113.08 2ww0 h TYR 331 Ca 0.00 -0.44 0.00 0.00 0.05 0.00 0.00 58.73 58.34 2ww0 h TYR 331 Cb 0.33 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2ww0 h TYR 331 CO 0.00 1.53 0.00 0.27 -1.05 0.00 0.00 178.16 178.91 2ww0 n ASN 332 N -3.87 0.73 0.00 3.88 0.23 -1.19 -4.85 115.26 110.19 2ww0 n ASN 332 Ca -0.21 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.57 2ww0 n ASN 332 Cb 0.95 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.65 2ww0 n ASN 332 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ww0 n GLY 333 N -0.13 0.59 3.94 4.83 0.00 0.20 -4.99 105.19 109.62 2ww0 n GLY 333 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2ww0 n GLY 333 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ww0 s GLN 334 N -0.32 3.05 -0.26 1.61 -0.21 -1.26 -4.72 119.66 117.54 2ww0 s GLN 334 Ca 0.00 -0.31 -0.11 0.00 0.02 0.00 0.00 55.36 54.96 2ww0 s GLN 334 Cb 0.00 -2.46 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 2ww0 s GLN 334 CO 0.00 -0.39 0.19 0.08 -2.12 0.00 0.00 175.29 173.04 2ww0 s VAL 335 N -2.69 5.32 0.15 1.09 1.01 -1.26 0.10 120.40 124.12 2ww0 s VAL 335 Ca 0.50 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.72 2ww0 s VAL 335 Cb -0.10 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2ww0 s VAL 335 CO 0.40 0.28 -0.11 -0.76 0.00 0.00 0.00 175.10 174.92 2ww0 s LEU 336 N 1.51 2.53 0.61 3.92 1.43 0.30 -4.94 118.68 124.04 2ww0 s LEU 336 Ca 0.08 -1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 2ww0 s LEU 336 Cb -0.15 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 2ww0 s LEU 336 CO 0.09 -0.31 1.07 -2.16 0.23 0.00 0.00 176.35 175.27 2ww0 s PRO 337 N -3.71 3.19 0.00 1.29 0.04 -1.26 -0.13 135.00 134.41 2ww0 s PRO 337 Ca 0.17 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2ww0 s PRO 337 Cb 0.02 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2ww0 s PRO 337 CO 0.01 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2ww0 n GLY 338 N -0.81 1.49 3.77 0.56 0.00 -0.23 -4.77 105.19 105.20 2ww0 n GLY 338 Ca 0.09 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 2ww0 n GLY 338 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ww0 s TYR 339 N -2.07 2.57 -0.26 1.61 2.02 -1.26 -4.12 117.35 115.82 2ww0 s TYR 339 Ca 0.00 1.56 -0.18 0.00 -0.37 0.00 0.00 57.07 58.08 2ww0 s TYR 339 Cb 0.00 -3.16 0.07 0.00 -0.40 0.00 0.00 41.96 38.48 2ww0 s TYR 339 CO 0.00 -1.78 0.67 1.41 -1.57 0.00 0.00 175.55 174.28 2ww0 s MET 340 N -4.30 0.72 0.23 -0.62 -2.45 -1.26 -4.12 119.30 107.49 2ww0 s MET 340 Ca 0.66 1.11 0.06 0.00 -1.25 0.00 0.00 55.69 56.27 2ww0 s MET 340 Cb -0.20 0.21 -0.05 0.00 1.25 0.00 0.00 34.83 36.04 2ww0 s MET 340 CO 0.46 -0.13 -0.08 -0.06 1.05 0.00 0.00 175.02 176.25 2ww0 s PHE 341 N 1.21 1.69 0.38 4.11 0.40 -1.26 0.21 117.98 124.72 2ww0 s PHE 341 Ca -0.07 -0.72 -0.15 0.00 -0.60 0.00 0.00 56.93 55.40 2ww0 s PHE 341 Cb -0.05 -0.90 0.05 0.00 0.51 0.00 0.00 43.02 42.63 2ww0 s PHE 341 CO -0.13 0.20 0.77 -0.08 0.70 0.00 0.00 175.22 176.68 2ww0 s THR 342 N -3.14 0.00 -0.25 0.64 -1.32 -0.74 -4.85 115.64 105.99 2ww0 s THR 342 Ca 0.25 -1.05 -0.00 0.00 -1.21 0.00 0.00 61.69 59.68 2ww0 s THR 342 Cb 0.03 -2.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 2ww0 s THR 342 CO 0.08 0.00 0.21 0.47 -2.21 0.00 0.00 174.62 173.17 2ww0 n ASP 343 N -1.41 -2.03 -3.78 8.08 8.00 0.32 -1.24 116.55 124.48 2ww0 n ASP 343 Ca -0.08 -0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.17 2ww0 n ASP 343 Cb 0.60 -1.46 -0.08 0.00 -0.02 0.00 0.00 41.12 40.16 2ww0 n ASP 343 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ww0 s THR 344 N -3.07 0.08 -0.19 -3.53 -1.32 -1.15 -4.27 115.64 102.18 2ww0 s THR 344 Ca 0.00 -0.63 -0.01 0.00 -1.21 0.00 0.00 61.69 59.85 2ww0 s THR 344 Cb -0.00 -0.76 0.01 0.00 -1.51 0.00 0.00 72.50 70.24 2ww0 s THR 344 CO 0.15 -0.34 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.25 2ww0 s GLY 345 N -1.70 1.48 0.33 6.08 0.00 -1.26 -2.71 107.32 109.54 2ww0 s GLY 345 Ca -0.09 -1.18 0.12 0.00 0.00 0.00 0.00 44.72 43.56 2ww0 s GLY 345 CO 0.00 0.31 1.74 0.74 0.00 0.00 0.00 173.10 175.90 2ww0 h PHE 346 N 7.95 0.02 -0.89 1.90 0.04 -1.55 -1.43 116.94 122.96 2ww0 h PHE 346 Ca -0.43 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.53 2ww0 h PHE 346 Cb 1.15 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.23 2ww0 h PHE 346 CO 0.52 0.47 0.59 2.35 -0.60 0.00 0.00 178.31 181.64 2ww0 h TRP 347 N 0.01 0.56 0.03 -0.55 7.01 -1.83 -1.08 115.95 120.10 2ww0 h TRP 347 Ca -0.00 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.90 2ww0 h TRP 347 Cb 0.82 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 2ww0 h TRP 347 CO 0.00 0.16 -0.59 -0.44 -2.79 0.00 0.00 178.44 174.78 2ww0 h ASP 348 N 0.43 0.10 0.01 2.65 3.45 -1.71 -3.43 116.42 117.92 2ww0 h ASP 348 Ca 0.46 -0.85 0.00 0.00 0.43 0.00 0.00 57.03 57.07 2ww0 h ASP 348 Cb 1.11 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.85 2ww0 h ASP 348 CO -0.18 1.25 -0.33 0.35 -1.57 0.00 0.00 179.24 178.75 2ww0 n THR 349 N -4.43 0.00 0.18 0.35 -2.24 -0.62 -3.87 114.28 103.65 2ww0 n THR 349 Ca -0.18 -0.29 0.03 0.00 -2.27 0.00 0.00 64.05 61.34 2ww0 n THR 349 Cb 0.62 1.16 0.33 0.00 -2.10 0.00 0.00 70.33 70.34 2ww0 n THR 349 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 2ww0 h PHE 350 N 2.73 0.00 0.13 4.78 -0.00 -1.48 -2.08 116.94 121.02 2ww0 h PHE 350 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 2ww0 h PHE 350 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.71 2ww0 h PHE 350 CO 0.00 0.42 -0.06 0.00 -0.00 0.00 0.00 178.31 178.67 2ww0 h ARG 351 N 0.00 -0.17 0.00 6.09 3.08 -1.81 -3.42 114.38 118.15 2ww0 h ARG 351 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ww0 h ARG 351 Cb 0.83 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2ww0 h ARG 351 CO 0.06 -0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.88 2ww0 h LEU 353 N 0.00 -0.14 -0.17 0.00 7.12 -1.80 -1.27 115.31 119.06 2ww0 h LEU 353 Ca 0.00 -0.03 -0.16 0.00 0.13 0.00 0.00 57.88 57.83 2ww0 h LEU 353 Cb 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 2ww0 h LEU 353 CO 0.00 -0.07 -0.51 -0.26 -0.13 0.00 0.00 178.44 177.47 2ww0 h PHE 354 N -0.20 0.84 -1.00 1.25 0.04 -1.65 -2.86 116.94 113.36 2ww0 h PHE 354 Ca -0.02 -0.34 0.22 0.00 2.80 0.00 0.00 57.97 60.63 2ww0 h PHE 354 Cb 0.16 -0.14 -0.11 0.00 2.20 0.00 0.00 35.95 38.05 2ww0 h PHE 354 CO -0.06 1.12 0.61 -1.35 -0.60 0.00 0.00 178.31 178.03 2ww0 h PRO 355 N 0.32 0.64 -0.88 1.51 0.11 -1.80 0.13 132.00 132.04 2ww0 h PRO 355 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2ww0 h PRO 355 Cb 1.14 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 2ww0 h PRO 355 CO 0.11 0.43 0.52 1.25 -0.21 0.00 0.00 178.00 180.09 2ww0 h LEU 356 N 0.66 1.06 -0.79 2.35 5.85 -1.01 -1.68 115.31 121.76 2ww0 h LEU 356 Ca 0.60 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.24 2ww0 h LEU 356 Cb 1.07 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2ww0 h LEU 356 CO -0.40 0.82 0.43 -0.07 -0.34 0.00 0.00 178.44 178.87 2ww0 h LEU 357 N 1.21 0.99 -1.26 2.25 3.38 -0.61 -1.26 115.31 120.00 2ww0 h LEU 357 Ca 0.31 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2ww0 h LEU 357 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2ww0 h LEU 357 CO -0.06 0.80 -0.30 0.78 0.09 0.00 0.00 178.44 179.75 2ww0 h ASN 358 N 1.09 0.11 0.00 -0.43 -0.26 -0.68 0.73 115.58 116.14 2ww0 h ASN 358 Ca 0.28 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.95 2ww0 h ASN 358 Cb 0.04 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 2ww0 h ASN 358 CO -0.04 0.41 -0.13 0.25 -1.06 0.00 0.00 177.43 176.86 2ww0 h LEU 359 N 0.10 0.11 0.00 1.61 5.85 -1.01 -3.39 115.31 118.58 2ww0 h LEU 359 Ca 0.01 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.93 2ww0 h LEU 359 Cb 0.59 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2ww0 h LEU 359 CO 0.04 0.90 -0.51 0.23 -0.34 0.00 0.00 178.44 178.77 2ww0 n MET 360 N -4.60 3.95 -2.70 1.25 2.81 -0.50 -4.76 117.12 112.57 2ww0 n MET 360 Ca -0.10 -0.01 -0.07 0.00 -1.81 0.00 0.00 57.70 55.71 2ww0 n MET 360 Cb 0.46 -0.84 0.04 0.00 -0.71 0.00 0.00 33.22 32.16 2ww0 n MET 360 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2ww0 n TYR 361 N -1.27 1.05 -0.22 2.03 4.01 0.23 -4.58 117.16 118.41 2ww0 n TYR 361 Ca 0.00 -2.61 0.02 0.00 -0.16 0.00 0.00 57.90 55.15 2ww0 n TYR 361 Cb 0.09 -0.27 0.26 0.00 -0.31 0.00 0.00 39.34 39.11 2ww0 n TYR 361 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ww0 h PRO 362 N 2.87 0.96 -0.86 -0.72 0.11 -1.21 -0.53 132.00 132.62 2ww0 h PRO 362 Ca -0.12 -0.06 0.15 0.00 0.11 0.00 0.00 66.00 66.09 2ww0 h PRO 362 Cb 1.20 -0.22 -0.10 0.00 0.11 0.00 0.00 31.00 32.00 2ww0 h PRO 362 CO 0.41 0.63 0.44 0.66 -0.21 0.00 0.00 178.00 179.93 2ww0 h SER 363 N 0.98 0.53 -0.41 -2.05 4.64 -1.92 0.13 113.55 115.45 2ww0 h SER 363 Ca 0.29 0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 61.60 2ww0 h SER 363 Cb -0.03 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2ww0 h SER 363 CO -0.08 0.21 -0.18 0.58 -0.87 0.00 0.00 176.83 176.50 2ww0 h VAL 364 N 0.62 1.28 0.00 0.95 2.07 -1.46 -3.08 116.25 116.62 2ww0 h VAL 364 Ca 0.47 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 2ww0 h VAL 364 Cb 0.68 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2ww0 h VAL 364 CO -0.37 0.44 -0.39 -1.13 0.02 0.00 0.00 177.57 176.14 2ww0 h ASN 365 N 0.67 0.00 -0.43 0.57 -1.24 -0.70 -2.31 115.58 112.13 2ww0 h ASN 365 Ca 0.09 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.17 2ww0 h ASN 365 Cb 0.73 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.73 2ww0 h ASN 365 CO 0.06 0.39 0.10 0.50 -1.29 0.00 0.00 177.43 177.19 2ww0 h LYS 366 N 0.00 0.23 -0.43 6.67 1.63 -0.73 0.76 116.57 124.71 2ww0 h LYS 366 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2ww0 h LYS 366 Cb 0.75 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 2ww0 h LYS 366 CO 0.05 0.15 0.28 0.93 -3.45 0.00 0.00 179.45 177.41 2ww0 h GLU 367 N 0.24 0.57 -0.55 1.90 5.08 -1.41 -1.19 114.58 119.22 2ww0 h GLU 367 Ca 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2ww0 h GLU 367 Cb 0.25 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2ww0 h GLU 367 CO -0.26 0.39 0.19 0.52 -1.00 0.00 0.00 179.01 178.85 2ww0 h MET 368 N 0.58 0.84 -0.33 2.33 2.86 -0.81 -1.16 114.93 119.24 2ww0 h MET 368 Ca 0.16 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2ww0 h MET 368 Cb -0.05 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 2ww0 h MET 368 CO -0.03 0.75 0.14 1.96 1.06 0.00 0.00 176.91 180.79 2ww0 h GLN 369 N 0.76 0.48 -0.95 1.72 1.08 0.67 -1.39 115.11 117.48 2ww0 h GLN 369 Ca 0.18 -0.08 0.13 0.00 -1.45 0.00 0.00 58.65 57.43 2ww0 h GLN 369 Cb 0.24 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.51 2ww0 h GLN 369 CO -0.01 0.46 0.60 0.93 -0.95 0.00 0.00 178.83 179.86 2ww0 h GLU 370 N 0.38 0.83 -0.87 1.46 4.39 -0.98 -0.42 114.58 119.37 2ww0 h GLU 370 Ca 0.11 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2ww0 h GLU 370 Cb 0.15 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 2ww0 h GLU 370 CO -0.01 0.55 0.47 0.78 -1.16 0.00 0.00 179.01 179.64 2ww0 h GLY 371 N 0.85 1.30 0.99 -3.84 0.00 -0.50 -2.40 103.07 99.46 2ww0 h GLY 371 Ca 0.47 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 2ww0 h GLY 371 CO -0.24 0.57 0.24 1.41 0.00 0.00 0.00 176.54 178.52 2ww0 h LEU 372 N 1.22 0.77 -0.82 3.11 3.38 -0.03 0.17 115.31 123.11 2ww0 h LEU 372 Ca 0.31 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.22 2ww0 h LEU 372 Cb 0.04 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 2ww0 h LEU 372 CO -0.05 0.72 0.46 0.40 0.09 0.00 0.00 178.44 180.06 2ww0 h ILE 373 N 0.78 0.87 -0.40 1.22 1.08 -1.10 -0.49 117.51 119.47 2ww0 h ILE 373 Ca 0.19 -0.26 -0.08 0.00 -0.39 0.00 0.00 64.86 64.32 2ww0 h ILE 373 Cb 0.18 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.97 2ww0 h ILE 373 CO -0.02 0.14 -0.10 0.78 -0.69 0.00 0.00 178.15 178.26 2ww0 h ASN 374 N 0.74 0.69 -0.30 1.72 -0.26 -0.83 -0.90 115.58 116.45 2ww0 h ASN 374 Ca 0.41 -0.19 0.03 0.00 -0.56 0.00 0.00 56.30 55.98 2ww0 h ASN 374 Cb 0.42 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.46 2ww0 h ASN 374 CO -0.27 0.82 0.12 0.74 -1.06 0.00 0.00 177.43 177.78 2ww0 h THR 375 N 0.65 0.94 -0.12 2.81 2.02 0.26 0.14 112.91 119.61 2ww0 h THR 375 Ca 0.11 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.22 2ww0 h THR 375 Cb 0.54 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2ww0 h THR 375 CO 0.03 0.05 0.02 0.22 0.37 0.00 0.00 175.52 176.21 2ww0 h TYR 376 N 0.26 0.03 -0.99 3.16 3.20 -0.81 0.23 116.97 122.05 2ww0 h TYR 376 Ca 0.13 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2ww0 h TYR 376 Cb 0.08 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 2ww0 h TYR 376 CO -0.12 0.01 0.65 -0.07 -1.64 0.00 0.00 178.16 176.99 2ww0 h LEU 377 N 0.07 1.09 0.00 2.82 3.38 -0.71 0.38 115.31 122.34 2ww0 h LEU 377 Ca 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2ww0 h LEU 377 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2ww0 h LEU 377 CO -0.07 0.75 -0.71 -0.33 0.09 0.00 0.00 178.44 178.17 2ww0 h GLU 378 N 1.26 0.00 0.00 1.13 5.08 -0.48 -3.40 114.58 118.18 2ww0 h GLU 378 Ca 0.39 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 2ww0 h GLU 378 Cb -0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2ww0 h GLU 378 CO -0.12 0.13 -1.32 -1.13 -1.00 0.00 0.00 179.01 175.57 2ww0 n SER 379 N -2.92 3.80 0.00 1.42 3.41 0.77 -4.38 113.62 115.72 2ww0 n SER 379 Ca -0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2ww0 n SER 379 Cb 0.62 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 2ww0 n SER 379 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ww0 n GLY 380 N 2.80 2.64 3.26 5.00 0.00 0.13 -5.03 105.19 113.98 2ww0 n GLY 380 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 2ww0 n GLY 380 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ww0 s PHE 381 N -2.72 1.36 0.43 1.61 0.40 -1.25 -4.97 117.98 112.84 2ww0 s PHE 381 Ca 0.00 -0.66 -0.21 0.00 -0.60 0.00 0.00 56.93 55.45 2ww0 s PHE 381 Cb 0.00 -0.69 -0.11 0.00 0.51 0.00 0.00 43.02 42.74 2ww0 s PHE 381 CO 0.00 0.14 0.96 -0.06 0.70 0.00 0.00 175.22 176.96 2ww0 s PHE 382 N -2.89 3.31 0.52 0.36 0.08 -1.26 -3.25 117.98 114.86 2ww0 s PHE 382 Ca 0.15 1.62 -0.17 0.00 0.12 0.00 0.00 56.93 58.65 2ww0 s PHE 382 Cb -0.00 -2.87 -0.07 0.00 -0.57 0.00 0.00 43.02 39.50 2ww0 s PHE 382 CO 0.02 -0.14 1.00 -1.25 -0.10 0.00 0.00 175.22 174.75 2ww0 s PRO 383 N -3.11 3.84 -0.00 0.24 0.04 -1.26 -4.56 135.00 130.19 2ww0 s PRO 383 Ca 0.62 1.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 2ww0 s PRO 383 Cb -0.10 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2ww0 s PRO 383 CO 0.14 -0.37 -0.13 0.39 0.04 0.00 0.00 177.00 177.08 2ww0 n GLU 384 N -1.57 0.19 -4.46 4.56 -0.58 -1.26 -4.59 120.64 112.93 2ww0 n GLU 384 Ca 0.07 0.08 -0.33 0.00 -0.42 0.00 0.00 57.16 56.55 2ww0 n GLU 384 Cb 0.54 -0.83 -0.15 0.00 -0.57 0.00 0.00 31.44 30.43 2ww0 n GLU 384 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2ww0 s TRP 385 N -2.31 2.83 -0.11 -0.32 -0.00 -1.26 -1.31 118.94 116.46 2ww0 s TRP 385 Ca -0.11 -0.91 0.00 0.00 -0.00 0.00 0.00 56.10 55.08 2ww0 s TRP 385 Cb 0.01 -1.92 0.02 0.00 -0.00 0.00 0.00 33.47 31.59 2ww0 s TRP 385 CO 0.16 -0.41 -0.09 0.00 -0.00 0.00 0.00 176.95 176.60 2ww0 s ALA 386 N 0.81 1.35 -0.21 5.86 0.00 -1.10 -1.14 121.76 127.33 2ww0 s ALA 386 Ca -0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2ww0 s ALA 386 Cb -0.15 -0.86 0.11 0.00 0.00 0.00 0.00 23.12 22.21 2ww0 s ALA 386 CO 0.00 -0.32 0.35 0.45 0.00 0.00 0.00 175.76 176.24 2ww0 s SER 387 N 1.52 0.25 0.14 0.00 0.15 -1.26 -0.52 113.70 113.98 2ww0 s SER 387 Ca 0.02 0.43 -0.04 0.00 0.70 0.00 0.00 55.95 57.06 2ww0 s SER 387 Cb -0.13 1.03 0.23 0.00 -1.71 0.00 0.00 66.02 65.44 2ww0 s SER 387 CO -0.06 -0.28 0.80 -0.81 1.20 0.00 0.00 173.24 174.09 2ww0 n PRO 388 N 5.36 -0.05 -0.32 5.44 -0.04 -1.26 -4.51 135.00 139.63 2ww0 n PRO 388 Ca -0.05 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 2ww0 n PRO 388 Cb 0.50 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2ww0 n PRO 388 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww0 n GLY 389 N -1.32 0.19 3.72 0.55 0.00 0.62 -4.66 105.19 104.30 2ww0 n GLY 389 Ca 0.08 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2ww0 n GLY 389 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ww0 s HIS 390 N 0.07 3.01 0.09 1.61 3.76 -1.26 -4.25 115.29 118.32 2ww0 s HIS 390 Ca 0.00 0.61 0.07 0.00 -0.15 0.00 0.00 55.06 55.59 2ww0 s HIS 390 Cb 0.00 -3.97 -0.03 0.00 1.11 0.00 0.00 32.58 29.69 2ww0 s HIS 390 CO 0.00 -3.55 -0.19 1.03 -0.85 0.00 0.00 174.74 171.18 2ww0 s ARG 391 N 0.93 1.04 -0.58 1.40 1.81 -0.29 -4.34 118.95 118.91 2ww0 s ARG 391 Ca 0.70 -1.11 -0.21 0.00 -1.72 0.00 0.00 55.73 53.39 2ww0 s ARG 391 Cb -0.45 -1.23 0.07 0.00 -0.45 0.00 0.00 34.95 32.89 2ww0 s ARG 391 CO 0.33 0.28 0.80 0.20 -0.68 0.00 0.00 175.30 176.24 2ww0 s GLY 392 N -1.87 1.59 -0.22 -3.53 0.00 -1.26 -4.32 107.32 97.72 2ww0 s GLY 392 Ca 0.04 -1.84 -0.15 0.00 0.00 0.00 0.00 44.72 42.78 2ww0 s GLY 392 CO 0.04 1.77 0.54 0.00 0.00 0.00 0.00 173.10 175.45 2ww0 n MET 394 N 3.80 0.00 -4.12 0.00 2.81 -1.26 -4.65 117.12 113.70 2ww0 n MET 394 Ca -0.19 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.56 2ww0 n MET 394 Cb 0.57 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 33.02 2ww0 n MET 394 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ww0 s VAL 395 N 0.00 0.00 0.00 2.03 -7.23 -1.26 -4.69 120.40 109.25 2ww0 s VAL 395 Ca 0.00 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.47 2ww0 s VAL 395 Cb 0.00 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2ww0 s VAL 395 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 2ww0 n GLY 396 N -0.47 0.29 2.40 2.32 0.00 -1.26 -4.67 105.19 103.79 2ww0 n GLY 396 Ca 0.02 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.99 2ww0 n GLY 396 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ww0 n ASN 397 N -0.82 4.37 0.00 1.61 5.15 -1.26 -4.85 115.26 119.46 2ww0 n ASN 397 Ca 0.00 -3.58 0.15 0.00 -0.60 0.00 0.00 54.58 50.55 2ww0 n ASN 397 Cb 0.00 -0.44 0.82 0.00 -0.53 0.00 0.00 39.78 39.64 2ww0 n ASN 397 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2ww0 n ASN 398 N -0.50 0.00 0.01 1.20 4.13 -1.26 -2.18 115.26 116.66 2ww0 n ASN 398 Ca 0.37 -0.50 0.20 0.00 1.68 0.00 0.00 54.58 56.33 2ww0 n ASN 398 Cb 0.75 -0.16 0.70 0.00 -1.54 0.00 0.00 39.78 39.54 2ww0 n ASN 398 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2ww0 h SER 399 N 0.00 0.00 -0.85 6.41 4.64 -1.89 -0.11 113.55 121.75 2ww0 h SER 399 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2ww0 h SER 399 Cb 0.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 2ww0 h SER 399 CO 0.00 0.00 0.47 0.00 -0.87 0.00 0.00 176.83 176.43 2ww0 h ALA 400 N 1.71 1.09 -0.06 5.18 0.00 -1.81 0.13 119.26 125.50 2ww0 h ALA 400 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2ww0 h ALA 400 Cb 1.02 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ww0 h ALA 400 CO -0.00 0.61 -0.02 1.03 0.00 0.00 0.00 179.25 180.87 2ww0 h SER 401 N 1.19 0.12 -0.32 0.00 0.87 -1.26 -1.46 113.55 112.68 2ww0 h SER 401 Ca 0.30 -0.37 0.07 0.00 -1.23 0.00 0.00 61.79 60.56 2ww0 h SER 401 Cb 0.03 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.88 2ww0 h SER 401 CO -0.05 0.46 -0.24 0.40 -0.53 0.00 0.00 176.83 176.87 2ww0 h ILE 402 N -0.23 0.37 -0.21 2.23 1.08 -1.15 0.85 117.51 120.46 2ww0 h ILE 402 Ca 0.01 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.43 2ww0 h ILE 402 Cb 0.41 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.53 2ww0 h ILE 402 CO 0.01 0.00 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.33 2ww0 h LEU 403 N -0.21 0.41 -0.23 1.44 3.38 -0.96 -2.56 115.31 116.58 2ww0 h LEU 403 Ca 0.16 -0.38 -0.20 0.00 0.09 0.00 0.00 57.88 57.55 2ww0 h LEU 403 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2ww0 h LEU 403 CO -0.44 0.70 -0.62 0.58 0.09 0.00 0.00 178.44 178.75 2ww0 h VAL 404 N 0.12 1.28 -0.60 1.22 2.07 -1.15 -2.44 116.25 116.75 2ww0 h VAL 404 Ca 0.05 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 65.79 2ww0 h VAL 404 Cb 0.53 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2ww0 h VAL 404 CO 0.02 0.58 0.36 -0.78 0.02 0.00 0.00 177.57 177.78 2ww0 h ASP 405 N 0.59 0.58 0.25 0.57 3.58 -0.84 0.66 116.42 121.81 2ww0 h ASP 405 Ca -0.01 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2ww0 h ASP 405 Cb 1.24 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 2ww0 h ASP 405 CO 0.13 0.40 -0.15 0.00 -2.88 0.00 0.00 179.24 176.75 2ww0 h ALA 406 N 1.27 -0.37 -0.11 -0.78 0.00 -1.42 -1.22 119.26 116.62 2ww0 h ALA 406 Ca 0.24 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2ww0 h ALA 406 Cb 0.04 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2ww0 h ALA 406 CO -0.11 -0.72 0.00 -0.92 0.00 0.00 0.00 179.25 177.50 2ww0 h TYR 407 N -0.39 -0.00 0.00 0.00 5.03 -1.08 -0.72 116.97 119.81 2ww0 h TYR 407 Ca -0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2ww0 h TYR 407 Cb 0.32 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.62 2ww0 h TYR 407 CO -0.09 -0.01 0.00 0.52 -1.32 0.00 0.00 178.16 177.26 2ww0 h MET 408 N 0.04 0.00 -0.50 1.82 2.86 -0.80 -2.12 114.93 116.23 2ww0 h MET 408 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2ww0 h MET 408 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2ww0 h MET 408 CO -0.08 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.52 2ww0 n LYS 409 N -2.69 3.57 -0.14 1.72 4.01 -0.47 -4.94 118.16 119.22 2ww0 n LYS 409 Ca -0.01 -2.79 0.00 0.00 -0.51 0.00 0.00 58.31 55.00 2ww0 n LYS 409 Cb 0.15 -1.84 0.00 0.00 -0.51 0.00 0.00 35.03 32.83 2ww0 n LYS 409 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2ww0 n GLY 410 N 0.57 0.59 3.36 0.72 0.00 -0.80 -5.02 105.19 104.61 2ww0 n GLY 410 Ca 0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.79 2ww0 n GLY 410 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ww0 s VAL 411 N -2.33 5.22 -0.17 1.61 1.01 -0.40 -5.01 120.40 120.34 2ww0 s VAL 411 Ca 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.10 2ww0 s VAL 411 Cb 0.00 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2ww0 s VAL 411 CO 0.00 -1.11 -0.05 -0.54 0.00 0.00 0.00 175.10 173.39 2ww0 s LYS 412 N 1.38 3.56 0.70 2.72 1.02 -1.26 -3.05 119.74 124.80 2ww0 s LYS 412 Ca 0.17 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.47 2ww0 s LYS 412 Cb -0.15 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2ww0 s LYS 412 CO -0.04 0.14 1.07 0.14 -0.92 0.00 0.00 175.35 175.75 2ww0 s VAL 413 N 0.61 3.70 0.10 3.17 -7.23 -1.26 -4.98 120.40 114.50 2ww0 s VAL 413 Ca -0.04 0.60 -0.15 0.00 -1.81 0.00 0.00 61.98 60.59 2ww0 s VAL 413 Cb -0.15 -3.21 -0.09 0.00 0.56 0.00 0.00 36.38 33.50 2ww0 s VAL 413 CO 0.03 -0.67 1.42 0.44 -0.31 0.00 0.00 175.10 176.01 2ww0 h ASP 414 N -0.63 0.71 -2.43 4.85 3.32 -1.99 -3.38 116.42 116.88 2ww0 h ASP 414 Ca -0.44 -0.46 -0.75 0.00 0.02 0.00 0.00 57.03 55.39 2ww0 h ASP 414 Cb 1.22 -0.20 -0.20 0.00 0.22 0.00 0.00 39.33 40.37 2ww0 h ASP 414 CO 0.55 1.02 1.20 -0.67 -1.72 0.00 0.00 179.24 179.62 2ww0 n ASP 415 N -4.31 5.31 0.12 6.45 -0.08 -1.26 -4.81 116.55 117.97 2ww0 n ASP 415 Ca -0.04 -3.01 -0.00 0.00 -1.51 0.00 0.00 54.79 50.23 2ww0 n ASP 415 Cb 0.45 -1.52 0.27 0.00 2.34 0.00 0.00 41.12 42.66 2ww0 n ASP 415 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2ww0 h ILE 416 N 4.34 1.29 -0.39 5.18 2.04 -2.00 -2.42 117.51 125.54 2ww0 h ILE 416 Ca 0.29 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.80 2ww0 h ILE 416 Cb 0.85 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 2ww0 h ILE 416 CO 1.22 0.41 0.16 0.50 0.00 0.00 0.00 178.15 180.45 2ww0 h LYS 417 N 0.16 0.33 -0.63 2.37 3.64 -1.97 -1.62 116.57 118.85 2ww0 h LYS 417 Ca 0.02 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2ww0 h LYS 417 Cb 0.73 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2ww0 h LYS 417 CO 0.06 0.22 0.07 1.15 -2.27 0.00 0.00 179.45 178.67 2ww0 h THR 418 N 0.34 1.26 -0.33 1.00 2.02 -1.91 -1.73 112.91 113.56 2ww0 h THR 418 Ca 0.17 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.33 2ww0 h THR 418 Cb 0.12 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2ww0 h THR 418 CO -0.15 0.39 0.14 0.25 0.37 0.00 0.00 175.52 176.52 2ww0 h LEU 419 N 0.98 0.18 -0.27 2.58 5.85 -0.94 0.16 115.31 123.86 2ww0 h LEU 419 Ca 0.19 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2ww0 h LEU 419 Cb 0.47 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2ww0 h LEU 419 CO 0.02 0.14 -0.11 0.22 -0.34 0.00 0.00 178.44 178.37 2ww0 h TYR 420 N 0.30 0.63 -0.60 1.25 3.20 -1.11 -1.47 116.97 119.16 2ww0 h TYR 420 Ca 0.14 -0.15 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2ww0 h TYR 420 Cb 0.09 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 2ww0 h TYR 420 CO -0.12 0.79 0.36 0.93 -1.64 0.00 0.00 178.16 178.48 2ww0 h GLU 421 N 0.28 0.68 -0.33 1.82 5.08 -1.14 -0.96 114.58 120.01 2ww0 h GLU 421 Ca 0.06 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2ww0 h GLU 421 Cb 0.62 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2ww0 h GLU 421 CO 0.04 0.45 0.07 0.78 -1.00 0.00 0.00 179.01 179.34 2ww0 h GLY 422 N 0.70 0.39 0.65 -3.84 0.00 -0.47 0.15 103.07 100.64 2ww0 h GLY 422 Ca 0.24 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.59 2ww0 h GLY 422 CO -0.11 -0.02 0.06 1.41 0.00 0.00 0.00 176.54 177.88 2ww0 h LEU 423 N 0.19 0.02 -0.81 3.11 3.38 -0.60 -1.90 115.31 118.69 2ww0 h LEU 423 Ca 0.16 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 2ww0 h LEU 423 Cb 0.17 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2ww0 h LEU 423 CO -0.21 0.04 -0.05 0.40 0.09 0.00 0.00 178.44 178.72 2ww0 h ILE 424 N 0.17 1.25 -0.95 1.22 1.08 -0.75 -2.62 117.51 116.91 2ww0 h ILE 424 Ca 0.14 -1.10 0.04 0.00 -0.39 0.00 0.00 64.86 63.54 2ww0 h ILE 424 Cb 0.15 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 34.77 2ww0 h ILE 424 CO -0.18 0.39 0.62 -0.74 -0.69 0.00 0.00 178.15 177.54 2ww0 h HIS 425 N 0.77 1.16 0.00 1.37 2.76 -0.04 -2.22 115.15 118.95 2ww0 h HIS 425 Ca 0.14 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2ww0 h HIS 425 Cb 0.53 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2ww0 h HIS 425 CO 0.03 0.67 0.00 0.41 -1.30 0.00 0.00 177.93 177.74 2ww0 n GLY 426 N -1.39 -1.36 0.13 5.26 0.00 -0.78 -2.52 105.19 104.53 2ww0 n GLY 426 Ca 0.13 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2ww0 n GLY 426 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2ww0 h THR 427 N 0.00 0.00 0.00 2.61 1.35 -1.37 -3.02 112.91 112.48 2ww0 h THR 427 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2ww0 h THR 427 Cb 0.44 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2ww0 h THR 427 CO 0.00 0.00 -0.16 -0.62 -0.25 0.00 0.00 175.52 174.49 2ww0 n GLU 428 N -2.55 0.91 -3.87 4.72 1.02 -1.05 -4.84 120.64 114.98 2ww0 n GLU 428 Ca 0.03 -1.99 -0.11 0.00 -0.02 0.00 0.00 57.16 55.07 2ww0 n GLU 428 Cb 0.49 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 2ww0 n GLU 428 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2ww0 s ASN 429 N -2.15 0.05 0.01 1.62 0.01 -1.08 -5.03 114.94 108.36 2ww0 s ASN 429 Ca 0.20 -0.31 0.05 0.00 -0.71 0.00 0.00 52.86 52.09 2ww0 s ASN 429 Cb 0.17 0.24 -0.02 0.00 0.41 0.00 0.00 41.25 42.06 2ww0 s ASN 429 CO 0.02 -0.46 -0.16 0.54 -1.51 0.00 0.00 177.10 175.53 2ww0 s VAL 430 N -1.98 1.26 0.27 1.60 0.11 -1.26 -0.97 120.40 119.44 2ww0 s VAL 430 Ca -0.10 -0.81 -0.31 0.00 -2.93 0.00 0.00 61.98 57.83 2ww0 s VAL 430 Cb -0.04 -1.08 -0.12 0.00 -1.53 0.00 0.00 36.38 33.61 2ww0 s VAL 430 CO -0.01 0.25 1.62 1.57 -3.33 0.00 0.00 175.10 175.21 2ww0 n HIS 431 N 2.41 2.82 0.11 1.54 -0.00 0.20 -4.89 115.22 117.41 2ww0 n HIS 431 Ca -0.16 0.21 0.06 0.00 0.46 0.00 0.00 57.72 58.29 2ww0 n HIS 431 Cb 0.54 -2.61 0.52 0.00 -0.12 0.00 0.00 29.99 28.33 2ww0 n HIS 431 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2ww0 h PRO 432 N 5.23 0.29 0.00 1.57 0.11 -2.00 -3.24 132.00 133.97 2ww0 h PRO 432 Ca -0.46 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 2ww0 h PRO 432 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2ww0 h PRO 432 CO 0.83 0.19 -1.51 0.39 -0.21 0.00 0.00 178.00 177.69 2ww0 n GLU 433 N -4.50 2.41 -3.63 1.05 4.71 -1.26 -4.90 120.64 114.52 2ww0 n GLU 433 Ca 0.01 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.16 56.75 2ww0 n GLU 433 Cb 0.09 -1.20 -0.09 0.00 -1.01 0.00 0.00 31.44 29.22 2ww0 n GLU 433 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2ww0 s VAL 434 N -2.24 3.95 -0.71 2.62 1.01 -1.22 -4.95 120.40 118.86 2ww0 s VAL 434 Ca -0.04 -2.04 0.20 0.00 0.00 0.00 0.00 61.98 60.11 2ww0 s VAL 434 Cb 0.03 -3.62 0.20 0.00 0.00 0.00 0.00 36.38 32.99 2ww0 s VAL 434 CO 0.32 -0.78 1.62 -1.54 0.00 0.00 0.00 175.10 174.73 2ww0 n SER 435 N 4.61 0.40 -0.63 3.32 3.41 -1.26 -1.32 113.62 122.15 2ww0 n SER 435 Ca -0.03 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.26 2ww0 n SER 435 Cb 0.41 -0.68 0.30 0.00 -0.26 0.00 0.00 64.21 63.98 2ww0 n SER 435 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ww0 n SER 436 N -1.93 1.86 -4.37 4.04 3.41 -1.26 -4.13 113.62 111.25 2ww0 n SER 436 Ca 0.03 -1.82 -0.35 0.00 -0.26 0.00 0.00 58.87 56.47 2ww0 n SER 436 Cb 0.22 -0.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 2ww0 n SER 436 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ww0 s THR 437 N -1.68 3.49 0.00 6.66 2.01 -0.43 -4.59 115.64 121.10 2ww0 s THR 437 Ca 0.30 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.83 2ww0 s THR 437 Cb 0.16 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 70.11 2ww0 s THR 437 CO 0.23 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 2ww0 n GLY 438 N 4.36 -2.04 3.22 4.40 0.00 -1.26 -0.63 105.19 113.24 2ww0 n GLY 438 Ca -0.18 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 2ww0 n GLY 438 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ww0 s ARG 439 N 0.00 2.57 0.29 1.61 0.52 -0.15 -4.79 118.95 118.99 2ww0 s ARG 439 Ca 0.00 -1.82 -0.30 0.00 -0.52 0.00 0.00 55.73 53.09 2ww0 s ARG 439 Cb 0.00 -3.97 -0.12 0.00 0.52 0.00 0.00 34.95 31.38 2ww0 s ARG 439 CO 0.00 -1.21 1.61 -0.11 0.02 0.00 0.00 175.30 175.61 2ww0 n LEU 440 N 4.84 4.35 0.00 2.53 7.94 -1.26 -2.38 117.00 133.02 2ww0 n LEU 440 Ca -0.07 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 2ww0 n LEU 440 Cb 0.41 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.76 2ww0 n LEU 440 CO 0.43 0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.49 2ww0 n GLY 441 N 2.31 0.50 0.31 -3.96 0.00 -1.26 -4.93 105.19 98.17 2ww0 n GLY 441 Ca 0.09 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2ww0 n GLY 441 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ww0 h TYR 442 N 0.00 0.00 0.78 1.61 -0.00 -1.80 -1.56 116.97 116.00 2ww0 h TYR 442 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 2ww0 h TYR 442 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 2ww0 h TYR 442 CO 0.00 0.00 -0.42 0.93 -0.00 0.00 0.00 178.16 178.67 2ww0 h GLU 443 N 0.00 -1.07 0.03 0.10 3.07 -1.91 0.92 114.58 115.73 2ww0 h GLU 443 Ca 0.09 0.07 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 2ww0 h GLU 443 Cb 0.39 0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 2ww0 h GLU 443 CO -0.00 -0.71 -0.13 1.88 -1.40 0.00 0.00 179.01 178.65 2ww0 h TYR 444 N -1.11 -0.34 -0.21 4.33 0.05 -1.70 -1.43 116.97 116.56 2ww0 h TYR 444 Ca -0.10 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.74 2ww0 h TYR 444 Cb 0.87 0.15 -0.06 0.00 1.01 0.00 0.00 36.73 38.69 2ww0 h TYR 444 CO -0.05 -0.20 -0.19 -0.92 -1.05 0.00 0.00 178.16 175.74 2ww0 h TYR 445 N -0.24 -0.50 -0.51 4.88 3.20 -1.19 0.84 116.97 123.45 2ww0 h TYR 445 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2ww0 h TYR 445 Cb 0.28 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2ww0 h TYR 445 CO -0.17 -0.27 0.22 -0.91 -1.64 0.00 0.00 178.16 175.38 2ww0 h ASN 446 N -0.21 0.66 0.09 -2.11 -0.26 -0.70 0.25 115.58 113.31 2ww0 h ASN 446 Ca 0.13 -0.07 -0.14 0.00 -0.56 0.00 0.00 56.30 55.66 2ww0 h ASN 446 Cb 0.40 -0.17 0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2ww0 h ASN 446 CO -0.34 0.58 -0.63 0.50 -1.06 0.00 0.00 177.43 176.49 2ww0 h LYS 447 N 0.72 0.19 0.00 0.81 3.64 -0.33 -3.40 116.57 118.21 2ww0 h LYS 447 Ca 0.18 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 2ww0 h LYS 447 Cb 0.13 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2ww0 h LYS 447 CO -0.02 1.16 -1.99 1.28 -2.27 0.00 0.00 179.45 177.61 2ww0 n LEU 448 N -4.27 0.07 0.00 5.20 7.99 0.29 -4.98 117.00 121.30 2ww0 n LEU 448 Ca -0.14 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 2ww0 n LEU 448 Cb 0.72 0.08 0.00 0.00 -0.11 0.00 0.00 43.42 44.10 2ww0 n LEU 448 CO 0.43 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.98 2ww0 n GLY 449 N 1.33 0.61 3.66 -0.72 0.00 0.88 -5.03 105.19 105.93 2ww0 n GLY 449 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2ww0 n GLY 449 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ww0 s TYR 450 N -2.42 -0.24 -0.37 1.61 1.13 -1.23 -4.75 117.35 111.08 2ww0 s TYR 450 Ca 0.00 -0.12 -0.15 0.00 -1.41 0.00 0.00 57.07 55.39 2ww0 s TYR 450 Cb 0.00 0.58 -0.00 0.00 -1.10 0.00 0.00 41.96 41.44 2ww0 s TYR 450 CO 0.00 -1.06 0.32 0.08 -2.51 0.00 0.00 175.55 172.39 2ww0 s VAL 451 N -3.87 5.21 0.52 -3.49 1.01 -1.26 -3.07 120.40 115.45 2ww0 s VAL 451 Ca 0.08 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 2ww0 s VAL 451 Cb -0.03 -3.85 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 2ww0 s VAL 451 CO -0.00 -0.17 0.87 -2.65 0.00 0.00 0.00 175.10 173.16 2ww0 n PRO 452 N 5.29 0.98 0.12 2.72 -0.02 -1.26 -4.43 135.00 138.39 2ww0 n PRO 452 Ca -0.10 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 61.87 2ww0 n PRO 452 Cb 0.49 -2.00 0.40 0.00 -0.02 0.00 0.00 33.50 32.37 2ww0 n PRO 452 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2ww0 h TYR 453 N 0.84 0.00 -0.05 6.00 5.03 0.12 -3.36 116.97 125.55 2ww0 h TYR 453 Ca -0.46 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 60.80 2ww0 h TYR 453 Cb 1.36 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.59 2ww0 h TYR 453 CO 0.38 0.00 -0.55 -0.40 -1.32 0.00 0.00 178.16 176.27 2ww0 n ASP 454 N -2.31 1.89 -0.43 -2.11 5.75 -1.26 -4.71 116.55 113.36 2ww0 n ASP 454 Ca 0.05 -3.78 0.07 0.00 -0.01 0.00 0.00 54.79 51.12 2ww0 n ASP 454 Cb 0.41 -0.50 0.19 0.00 -1.03 0.00 0.00 41.12 40.19 2ww0 n ASP 454 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2ww0 n VAL 455 N -1.00 2.11 -1.83 2.12 0.24 -1.26 -4.90 118.33 113.81 2ww0 n VAL 455 Ca 0.20 -2.89 -0.13 0.00 -2.04 0.00 0.00 64.34 59.48 2ww0 n VAL 455 Cb 0.74 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 2ww0 n VAL 455 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ww0 n LYS 456 N -1.22 -0.99 -4.06 7.34 4.01 -1.26 -4.99 118.16 116.97 2ww0 n LYS 456 Ca 0.18 0.80 -0.33 0.00 -0.51 0.00 0.00 58.31 58.46 2ww0 n LYS 456 Cb 0.68 -4.95 -0.15 0.00 -0.51 0.00 0.00 35.03 30.10 2ww0 n LYS 456 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2ww0 s ILE 457 N -2.58 2.23 0.39 -0.18 1.01 -1.26 -5.11 121.20 115.71 2ww0 s ILE 457 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 60.65 58.98 2ww0 s ILE 457 Cb 0.00 -2.23 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 2ww0 s ILE 457 CO 0.00 0.10 0.95 0.20 0.00 0.00 0.00 174.94 176.19 2ww0 s ASN 458 N 1.16 7.05 -0.96 3.58 0.01 -1.26 -3.64 114.94 120.88 2ww0 s ASN 458 Ca -0.05 1.76 -0.00 0.00 -0.71 0.00 0.00 52.86 53.86 2ww0 s ASN 458 Cb -0.18 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.92 2ww0 s ASN 458 CO -0.06 -0.28 0.02 -0.62 -1.51 0.00 0.00 177.10 174.64 2ww0 n GLU 459 N -0.23 -1.01 -0.22 -0.60 1.02 0.33 -4.90 120.64 115.03 2ww0 n GLU 459 Ca 0.05 0.55 -0.03 0.00 -0.02 0.00 0.00 57.16 57.71 2ww0 n GLU 459 Cb 0.52 -4.67 0.08 0.00 -0.02 0.00 0.00 31.44 27.36 2ww0 n GLU 459 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 2ww0 h ASN 460 N -0.04 0.59 -0.69 1.62 -1.07 -1.62 -0.86 115.58 113.50 2ww0 h ASN 460 Ca -0.27 0.02 -0.02 0.00 0.07 0.00 0.00 56.30 56.09 2ww0 h ASN 460 Cb 1.20 -0.11 -0.03 0.00 -2.07 0.00 0.00 38.32 37.31 2ww0 h ASN 460 CO 0.32 0.40 0.34 0.00 0.07 0.00 0.00 177.43 178.55 2ww0 h ALA 461 N 1.31 0.89 -0.57 4.14 0.00 -1.12 0.30 119.26 124.20 2ww0 h ALA 461 Ca 0.27 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2ww0 h ALA 461 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2ww0 h ALA 461 CO -0.14 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.53 2ww0 h ALA 462 N 1.16 0.87 -0.24 0.00 0.00 -0.94 -1.89 119.26 118.22 2ww0 h ALA 462 Ca 0.24 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ww0 h ALA 462 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ww0 h ALA 462 CO -0.03 0.66 0.05 0.00 0.00 0.00 0.00 179.25 179.93 2ww0 h ARG 463 N 0.92 0.40 -0.03 0.00 3.08 -0.70 -2.08 114.38 115.96 2ww0 h ARG 463 Ca 0.16 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2ww0 h ARG 463 Cb 0.58 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2ww0 h ARG 463 CO 0.03 0.51 -0.16 1.15 -1.07 0.00 0.00 179.97 180.44 2ww0 h THR 464 N 0.21 0.61 -0.41 2.04 2.02 -0.83 0.28 112.91 116.84 2ww0 h THR 464 Ca 0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.28 2ww0 h THR 464 Cb 0.30 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2ww0 h THR 464 CO 0.00 0.00 0.23 -0.07 0.37 0.00 0.00 175.52 176.05 2ww0 h LEU 465 N -0.24 0.36 -0.34 2.58 3.38 -1.27 -1.23 115.31 118.55 2ww0 h LEU 465 Ca 0.06 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 2ww0 h LEU 465 Cb 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ww0 h LEU 465 CO -0.17 0.26 -0.59 -0.33 0.09 0.00 0.00 178.44 177.69 2ww0 h GLU 466 N 0.46 0.76 -0.83 1.13 5.08 -1.04 -2.52 114.58 117.62 2ww0 h GLU 466 Ca 0.16 -0.51 0.09 0.00 -1.00 0.00 0.00 59.36 58.10 2ww0 h GLU 466 Cb 0.03 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2ww0 h GLU 466 CO -0.09 1.13 0.48 1.88 -1.00 0.00 0.00 179.01 181.42 2ww0 h TYR 467 N 0.57 0.87 -0.28 4.33 0.05 -0.15 0.19 116.97 122.55 2ww0 h TYR 467 Ca 0.00 0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.85 2ww0 h TYR 467 Cb 1.19 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 38.62 2ww0 h TYR 467 CO 0.07 0.37 0.05 0.00 -1.05 0.00 0.00 178.16 177.60 2ww0 h ALA 468 N 1.45 0.29 -0.56 3.88 0.00 -0.82 0.37 119.26 123.86 2ww0 h ALA 468 Ca 0.39 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 2ww0 h ALA 468 Cb 0.33 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2ww0 h ALA 468 CO -0.24 -0.36 0.08 -0.92 0.00 0.00 0.00 179.25 177.82 2ww0 h TYR 469 N 0.16 0.95 -0.21 0.00 3.20 -0.97 -2.07 116.97 118.03 2ww0 h TYR 469 Ca 0.13 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2ww0 h TYR 469 Cb 0.14 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2ww0 h TYR 469 CO -0.17 0.82 0.09 -0.44 -1.64 0.00 0.00 178.16 176.82 2ww0 h ASP 470 N 0.86 0.11 -0.04 -2.11 3.32 0.59 -1.93 116.42 117.22 2ww0 h ASP 470 Ca 0.18 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 2ww0 h ASP 470 Cb 0.39 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2ww0 h ASP 470 CO 0.01 0.10 -0.03 0.44 -1.72 0.00 0.00 179.24 178.04 2ww0 h ASP 471 N 0.19 0.18 -0.72 6.45 3.32 0.08 0.15 116.42 126.07 2ww0 h ASP 471 Ca 0.09 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2ww0 h ASP 471 Cb 0.04 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2ww0 h ASP 471 CO -0.08 0.24 0.42 -0.25 -1.72 0.00 0.00 179.24 177.85 2ww0 h TRP 472 N 0.19 0.96 -0.56 4.55 7.01 -0.68 0.18 115.95 127.61 2ww0 h TRP 472 Ca 0.05 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2ww0 h TRP 472 Cb 0.18 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 2ww0 h TRP 472 CO 0.00 0.66 0.35 0.00 -2.79 0.00 0.00 178.44 176.66 2ww0 h ILE 474 N 0.76 1.21 -0.70 0.00 2.04 -0.94 -1.41 117.51 118.48 2ww0 h ILE 474 Ca 0.20 -0.70 0.14 0.00 1.00 0.00 0.00 64.86 65.50 2ww0 h ILE 474 Cb -0.04 1.25 -0.10 0.00 -0.74 0.00 0.00 36.82 37.20 2ww0 h ILE 474 CO -0.04 0.22 0.16 0.22 0.00 0.00 0.00 178.15 178.72 2ww0 h TYR 475 N 0.18 0.26 -0.34 1.37 5.03 -0.34 0.34 116.97 123.47 2ww0 h TYR 475 Ca 0.07 0.04 0.01 0.00 2.58 0.00 0.00 58.73 61.43 2ww0 h TYR 475 Cb 0.29 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.54 2ww0 h TYR 475 CO 0.01 -0.06 0.20 0.00 -1.32 0.00 0.00 178.16 176.99 2ww0 h ARG 476 N 0.27 0.40 -0.16 1.82 2.47 -0.27 -0.51 114.38 118.40 2ww0 h ARG 476 Ca 0.38 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 59.01 2ww0 h ARG 476 Cb 0.63 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.85 2ww0 h ARG 476 CO -0.47 0.26 -0.17 1.25 0.56 0.00 0.00 179.97 181.40 2ww0 h LEU 477 N 0.41 0.43 -0.81 3.04 5.85 -0.50 -2.43 115.31 121.29 2ww0 h LEU 477 Ca 0.13 -0.48 0.11 0.00 0.84 0.00 0.00 57.88 58.48 2ww0 h LEU 477 Cb -0.00 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.83 2ww0 h LEU 477 CO -0.06 0.83 0.44 0.00 -0.34 0.00 0.00 178.44 179.31 2ww0 h ALA 478 N 0.62 1.17 -0.36 1.25 0.00 -0.10 0.13 119.26 121.97 2ww0 h ALA 478 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2ww0 h ALA 478 Cb 0.71 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2ww0 h ALA 478 CO 0.04 0.02 0.15 -0.22 0.00 0.00 0.00 179.25 179.24 2ww0 h LYS 479 N 0.71 0.53 -0.97 0.00 3.64 -1.01 -1.98 116.57 117.49 2ww0 h LYS 479 Ca 0.41 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 59.80 2ww0 h LYS 479 Cb 0.45 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 2ww0 h LYS 479 CO -0.29 0.50 0.62 1.49 -2.27 0.00 0.00 179.45 179.51 2ww0 h GLU 480 N 0.44 0.98 0.00 1.90 4.57 -0.65 -1.10 114.58 120.72 2ww0 h GLU 480 Ca 0.12 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2ww0 h GLU 480 Cb 0.16 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2ww0 h GLU 480 CO -0.01 0.65 0.00 1.28 -1.18 0.00 0.00 179.01 179.75 2ww0 n LEU 481 N -4.56 0.00 -3.66 1.64 4.32 0.31 -4.89 117.00 110.16 2ww0 n LEU 481 Ca 0.17 0.15 -0.24 0.00 -0.02 0.00 0.00 56.01 56.07 2ww0 n LEU 481 Cb 0.30 -0.15 0.06 0.00 -1.62 0.00 0.00 43.42 42.01 2ww0 n LEU 481 CO 0.30 -0.00 0.14 0.29 -1.22 0.00 0.00 177.39 176.90 2ww0 n LYS 482 N -1.15 -6.66 -1.06 3.23 5.02 -0.42 -4.97 118.16 112.15 2ww0 n LYS 482 Ca 0.19 0.75 -0.29 0.00 -2.02 0.00 0.00 58.31 56.94 2ww0 n LYS 482 Cb 0.18 -5.68 0.20 0.00 -0.02 0.00 0.00 35.03 29.70 2ww0 n LYS 482 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ww0 s ARG 483 N -6.15 -0.17 0.39 1.97 1.81 -0.81 -4.96 118.95 111.03 2ww0 s ARG 483 Ca 0.40 0.41 -0.27 0.00 -1.72 0.00 0.00 55.73 54.55 2ww0 s ARG 483 Cb -0.19 -1.68 -0.10 0.00 -0.45 0.00 0.00 34.95 32.53 2ww0 s ARG 483 CO 0.77 -3.11 1.43 -2.30 -0.68 0.00 0.00 175.30 171.40 2ww0 n PRO 484 N -4.43 2.43 -0.33 3.54 -0.02 -1.26 -4.78 135.00 130.15 2ww0 n PRO 484 Ca 0.06 0.85 0.13 0.00 -2.02 0.00 0.00 63.50 62.52 2ww0 n PRO 484 Cb 0.57 -2.58 0.35 0.00 -0.02 0.00 0.00 33.50 31.82 2ww0 n PRO 484 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2ww0 h LYS 485 N 2.65 0.71 -0.72 -0.52 -0.00 -1.98 -0.75 116.57 115.96 2ww0 h LYS 485 Ca -0.50 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.11 2ww0 h LYS 485 Cb 1.26 -0.16 -0.03 0.00 -0.00 0.00 0.00 32.23 33.29 2ww0 h LYS 485 CO 0.63 0.47 0.45 -0.22 -0.00 0.00 0.00 179.45 180.78 2ww0 h LYS 486 N 0.74 0.96 0.48 0.07 3.64 -1.99 0.25 116.57 120.72 2ww0 h LYS 486 Ca 0.53 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 2ww0 h LYS 486 Cb 0.85 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2ww0 h LYS 486 CO -0.30 0.66 -0.23 0.93 -2.27 0.00 0.00 179.45 178.24 2ww0 h GLU 487 N 0.97 -0.62 -0.70 1.90 5.08 -1.55 -2.42 114.58 117.24 2ww0 h GLU 487 Ca 0.26 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.75 2ww0 h GLU 487 Cb -0.07 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 2ww0 h GLU 487 CO -0.05 -0.36 0.35 0.82 -1.00 0.00 0.00 179.01 178.78 2ww0 h ILE 488 N -0.77 0.86 -0.15 3.13 2.04 -1.06 -0.76 117.51 120.81 2ww0 h ILE 488 Ca -0.07 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2ww0 h ILE 488 Cb 0.55 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2ww0 h ILE 488 CO 0.11 0.11 -0.18 0.28 0.00 0.00 0.00 178.15 178.46 2ww0 h SER 489 N 0.61 0.24 -0.43 1.72 0.02 -0.51 -1.66 113.55 113.54 2ww0 h SER 489 Ca 0.34 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 2ww0 h SER 489 Cb 0.34 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2ww0 h SER 489 CO -0.26 0.44 0.08 0.25 -1.14 0.00 0.00 176.83 176.21 2ww0 h LEU 490 N 0.23 0.68 -0.05 5.07 5.85 -0.62 0.28 115.31 126.75 2ww0 h LEU 490 Ca 0.04 -0.25 -0.23 0.00 0.84 0.00 0.00 57.88 58.27 2ww0 h LEU 490 Cb 0.47 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2ww0 h LEU 490 CO 0.03 0.76 -1.06 -0.26 -0.34 0.00 0.00 178.44 177.57 2ww0 h PHE 491 N 0.57 0.37 -0.96 1.25 0.04 -1.37 -1.54 116.94 115.30 2ww0 h PHE 491 Ca 0.13 -0.24 0.06 0.00 2.80 0.00 0.00 57.97 60.73 2ww0 h PHE 491 Cb 0.36 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.42 2ww0 h PHE 491 CO 0.02 1.13 0.62 0.00 -0.60 0.00 0.00 178.31 179.48 2ww0 h ALA 492 N 0.79 1.45 -0.14 2.45 0.00 -1.18 0.37 119.26 122.99 2ww0 h ALA 492 Ca -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2ww0 h ALA 492 Cb 1.75 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2ww0 h ALA 492 CO 0.17 0.40 -0.01 -0.22 0.00 0.00 0.00 179.25 179.59 2ww0 h LYS 493 N 1.11 0.25 0.00 0.00 3.64 -0.76 -3.21 116.57 117.61 2ww0 h LYS 493 Ca 0.41 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 2ww0 h LYS 493 Cb 0.18 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2ww0 h LYS 493 CO -0.16 0.50 -0.35 0.00 -2.27 0.00 0.00 179.45 177.17 2ww0 h ARG 494 N -0.02 0.00 -0.00 1.90 3.08 -0.75 -1.73 114.38 116.86 2ww0 h ARG 494 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2ww0 h ARG 494 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 2ww0 h ARG 494 CO 0.01 0.35 0.03 0.00 -1.07 0.00 0.00 179.97 179.29 2ww0 h ALA 495 N 1.65 1.11 -0.00 0.04 0.00 -0.94 0.00 119.26 121.12 2ww0 h ALA 495 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ww0 h ALA 495 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ww0 h ALA 495 CO 0.05 -0.03 -0.10 -1.33 0.00 0.00 0.00 179.25 177.83 2ww0 n MET 496 N -3.17 0.58 0.32 0.00 2.81 -0.65 -4.36 117.12 112.65 2ww0 n MET 496 Ca -0.03 -0.17 0.19 0.00 -1.81 0.00 0.00 57.70 55.89 2ww0 n MET 496 Cb 0.10 -1.50 1.07 0.00 -0.71 0.00 0.00 33.22 32.18 2ww0 n MET 496 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2ww0 h ASN 497 N 0.40 0.00 -0.20 7.83 2.35 -1.13 -1.25 115.58 123.59 2ww0 h ASN 497 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2ww0 h ASN 497 Cb 0.35 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2ww0 h ASN 497 CO 0.00 0.00 0.31 0.10 -1.65 0.00 0.00 177.43 176.20 2ww0 h TYR 498 N 0.00 0.00 0.00 1.19 -0.00 -1.82 0.22 116.97 116.56 2ww0 h TYR 498 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 2ww0 h TYR 498 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.74 2ww0 h TYR 498 CO 0.00 0.00 -0.27 0.87 -0.00 0.00 0.00 178.16 178.76 2ww0 h LYS 499 N 0.00 0.00 0.00 0.10 1.57 -1.58 -2.97 116.57 113.69 2ww0 h LYS 499 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2ww0 h LYS 499 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2ww0 h LYS 499 CO -0.00 0.27 0.00 0.09 -0.57 0.00 0.00 179.45 179.24 2ww0 n ASN 500 N -3.82 0.15 -0.28 0.86 3.02 0.76 -2.41 115.26 113.54 2ww0 n ASN 500 Ca -0.01 0.54 0.03 0.00 -0.03 0.00 0.00 54.58 55.10 2ww0 n ASN 500 Cb 0.36 -0.57 0.05 0.00 -0.61 0.00 0.00 39.78 39.02 2ww0 n ASN 500 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ww0 n LEU 501 N -1.67 2.01 -4.72 3.41 4.77 -1.12 -4.97 117.00 114.71 2ww0 n LEU 501 Ca 0.03 -1.53 -0.41 0.00 -0.03 0.00 0.00 56.01 54.07 2ww0 n LEU 501 Cb 0.17 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2ww0 n LEU 501 CO 0.14 0.47 0.54 0.12 -1.33 0.00 0.00 177.39 177.33 2ww0 s PHE 502 N -0.76 3.66 -0.28 -1.77 5.36 -1.01 -0.65 117.98 122.53 2ww0 s PHE 502 Ca 0.10 1.51 -0.09 0.00 -0.96 0.00 0.00 56.93 57.48 2ww0 s PHE 502 Cb 0.06 -2.95 -0.03 0.00 -0.34 0.00 0.00 43.02 39.75 2ww0 s PHE 502 CO 0.08 0.09 0.14 0.34 -1.46 0.00 0.00 175.22 174.41 2ww0 s ASP 503 N 0.66 5.60 0.17 6.13 2.15 -0.44 -4.94 116.67 126.00 2ww0 s ASP 503 Ca 0.44 -0.19 -0.11 0.00 0.43 0.00 0.00 52.55 53.11 2ww0 s ASP 503 Cb -0.20 -2.03 0.06 0.00 -0.30 0.00 0.00 42.92 40.45 2ww0 s ASP 503 CO 0.24 -0.08 1.67 0.11 -0.17 0.00 0.00 175.17 176.94 2ww0 h LYS 504 N 8.32 0.93 -0.09 4.34 1.79 -1.93 0.33 116.57 130.26 2ww0 h LYS 504 Ca -0.36 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 57.88 2ww0 h LYS 504 Cb 1.17 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2ww0 h LYS 504 CO 0.58 0.87 0.05 0.93 -1.08 0.00 0.00 179.45 180.79 2ww0 h GLU 505 N 0.83 0.12 0.00 3.15 3.07 -1.96 -3.17 114.58 116.62 2ww0 h GLU 505 Ca 0.18 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.83 2ww0 h GLU 505 Cb 0.37 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 2ww0 h GLU 505 CO 0.01 0.17 -0.90 0.66 -1.40 0.00 0.00 179.01 177.55 2ww0 h SER 506 N 0.04 0.00 -1.00 1.42 4.64 -1.98 -3.47 113.55 113.20 2ww0 h SER 506 Ca 0.03 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.11 2ww0 h SER 506 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 2ww0 h SER 506 CO -0.00 0.89 -0.25 0.29 -0.87 0.00 0.00 176.83 176.88 2ww0 n LYS 507 N -3.32 -0.88 -4.26 4.77 5.02 0.12 -5.02 118.16 114.58 2ww0 n LYS 507 Ca 0.00 0.79 -0.18 0.00 -2.02 0.00 0.00 58.31 56.91 2ww0 n LYS 507 Cb 0.90 -4.86 -0.11 0.00 -0.02 0.00 0.00 35.03 30.93 2ww0 n LYS 507 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ww0 s LEU 508 N -3.00 2.43 0.46 -0.35 1.43 -1.18 -4.93 118.68 113.55 2ww0 s LEU 508 Ca 0.00 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 52.01 2ww0 s LEU 508 Cb 0.00 -0.58 -0.07 0.00 0.03 0.00 0.00 46.19 45.56 2ww0 s LEU 508 CO 0.00 -0.15 1.26 -0.04 0.23 0.00 0.00 176.35 177.65 2ww0 s MET 509 N -2.86 3.69 -0.12 1.70 -1.94 -1.26 -1.32 119.30 117.18 2ww0 s MET 509 Ca 0.12 2.02 -0.21 0.00 -1.71 0.00 0.00 55.69 55.91 2ww0 s MET 509 Cb -0.04 -2.50 0.05 0.00 2.01 0.00 0.00 34.83 34.35 2ww0 s MET 509 CO 0.04 -0.68 0.51 0.50 -0.01 0.00 0.00 175.02 175.38 2ww0 s ARG 510 N -2.58 0.73 0.33 2.03 3.52 0.17 -4.79 118.95 118.37 2ww0 s ARG 510 Ca 0.63 0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 56.34 2ww0 s ARG 510 Cb -0.35 0.35 -0.11 0.00 -1.56 0.00 0.00 34.95 33.28 2ww0 s ARG 510 CO 0.43 -0.16 1.56 0.41 -0.81 0.00 0.00 175.30 176.73 2ww0 n GLY 511 N 1.99 1.31 3.12 8.12 0.00 -1.26 -4.76 105.19 113.70 2ww0 n GLY 511 Ca -0.17 0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 2ww0 n GLY 511 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ww0 s ARG 512 N -1.23 1.79 0.79 1.61 3.52 -1.26 -0.30 118.95 123.87 2ww0 s ARG 512 Ca 0.59 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.50 2ww0 s ARG 512 Cb -0.48 -1.53 0.07 0.00 -1.56 0.00 0.00 34.95 31.44 2ww0 s ARG 512 CO 0.55 0.20 1.09 -0.80 -0.81 0.00 0.00 175.30 175.54 2ww0 s ASN 513 N 0.15 4.54 0.37 -2.12 0.01 0.69 0.15 114.94 118.74 2ww0 s ASN 513 Ca -0.06 1.36 0.06 0.00 -0.71 0.00 0.00 52.86 53.51 2ww0 s ASN 513 Cb -0.12 -2.11 0.72 0.00 0.41 0.00 0.00 41.25 40.15 2ww0 s ASN 513 CO 0.03 -1.94 1.94 -0.08 -1.51 0.00 0.00 177.10 175.53 2ww0 h GLU 514 N -1.07 0.48 0.00 -0.60 4.81 -1.90 -0.71 114.58 115.59 2ww0 h GLU 514 Ca -0.47 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2ww0 h GLU 514 Cb 1.26 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2ww0 h GLU 514 CO 0.59 0.46 0.00 -0.40 -0.73 0.00 0.00 179.01 178.92 2ww0 n ASP 515 N -4.34 0.00 0.00 1.04 5.68 -1.26 -4.85 116.55 112.82 2ww0 n ASP 515 Ca 0.02 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 2ww0 n ASP 515 Cb 0.19 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 2ww0 n ASP 515 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ww0 n GLY 516 N 0.21 0.38 3.73 6.12 0.00 -0.27 -5.07 105.19 110.29 2ww0 n GLY 516 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2ww0 n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww0 s THR 517 N -2.10 4.36 0.78 2.61 -4.23 -1.26 -4.76 115.64 111.04 2ww0 s THR 517 Ca 0.00 2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 62.42 2ww0 s THR 517 Cb 0.00 -4.30 0.07 0.00 1.34 0.00 0.00 72.50 69.61 2ww0 s THR 517 CO 0.00 0.35 1.15 -0.36 -0.54 0.00 0.00 174.62 175.23 2ww0 s PHE 518 N -0.27 2.11 0.37 3.99 0.08 -1.26 -0.22 117.98 122.78 2ww0 s PHE 518 Ca 0.46 1.64 -0.25 0.00 0.12 0.00 0.00 56.93 58.91 2ww0 s PHE 518 Cb -0.24 -3.31 -0.09 0.00 -0.57 0.00 0.00 43.02 38.80 2ww0 s PHE 518 CO 0.31 -2.38 1.02 -1.14 -0.10 0.00 0.00 175.22 172.92 2ww0 s GLN 519 N -4.34 4.31 0.39 0.44 -0.44 0.59 -4.68 119.66 115.92 2ww0 s GLN 519 Ca 0.69 1.45 0.04 0.00 -2.50 0.00 0.00 55.36 55.03 2ww0 s GLN 519 Cb -0.24 -2.62 -0.05 0.00 -1.64 0.00 0.00 33.01 28.46 2ww0 s GLN 519 CO 0.50 -0.00 0.06 -1.12 0.50 0.00 0.00 175.29 175.23 2ww0 s SER 520 N -1.59 3.01 0.05 6.67 0.01 -1.26 -4.20 113.70 116.38 2ww0 s SER 520 Ca 0.55 -1.48 -0.06 0.00 1.31 0.00 0.00 55.95 56.27 2ww0 s SER 520 Cb -0.21 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 2ww0 s SER 520 CO 0.26 -0.69 0.10 -0.81 0.41 0.00 0.00 173.24 172.51 2ww0 n PRO 521 N -0.88 0.00 -3.72 12.44 -0.04 -1.26 -5.09 135.00 136.46 2ww0 n PRO 521 Ca -0.06 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.03 2ww0 n PRO 521 Cb 0.66 -0.20 -0.12 0.00 -0.04 0.00 0.00 33.50 33.80 2ww0 n PRO 521 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2ww0 s PHE 522 N -0.22 3.13 -0.40 0.54 5.36 -1.26 -5.05 117.98 120.07 2ww0 s PHE 522 Ca 0.13 -0.50 -0.04 0.00 -0.96 0.00 0.00 56.93 55.56 2ww0 s PHE 522 Cb -0.18 -2.28 0.10 0.00 -0.34 0.00 0.00 43.02 40.32 2ww0 s PHE 522 CO 0.12 -0.40 0.19 -1.12 -1.46 0.00 0.00 175.22 172.55 2ww0 s SER 523 N 1.61 5.28 0.57 6.13 0.01 -1.26 -4.93 113.70 121.11 2ww0 s SER 523 Ca 0.05 -1.87 0.31 0.00 1.31 0.00 0.00 55.95 55.75 2ww0 s SER 523 Cb -0.16 -1.84 1.72 0.00 0.21 0.00 0.00 66.02 65.95 2ww0 s SER 523 CO 0.05 -0.52 2.18 -0.65 0.41 0.00 0.00 173.24 174.71 2ww0 h PRO 524 N 8.11 0.00 -0.40 12.44 0.11 -1.98 -1.18 132.00 149.10 2ww0 h PRO 524 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2ww0 h PRO 524 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ww0 h PRO 524 CO 0.69 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.82 2ww0 n LEU 525 N -3.62 2.84 -4.74 2.35 4.77 -1.26 -2.66 117.00 114.67 2ww0 n LEU 525 Ca -0.02 -1.30 -0.40 0.00 -0.03 0.00 0.00 56.01 54.26 2ww0 n LEU 525 Cb 0.16 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2ww0 n LEU 525 CO 0.28 0.65 0.65 -0.75 -1.33 0.00 0.00 177.39 176.88 2ww0 s LYS 526 N -1.47 4.77 -0.00 3.23 2.20 -0.45 -1.71 119.74 126.31 2ww0 s LYS 526 Ca 0.37 1.45 -0.05 0.00 -0.36 0.00 0.00 55.97 57.38 2ww0 s LYS 526 Cb 0.20 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 2ww0 s LYS 526 CO 0.28 0.39 0.22 -1.58 -0.36 0.00 0.00 175.35 174.30 2ww0 s TRP 527 N -0.66 3.56 0.00 4.03 0.52 -0.68 -4.11 118.94 121.61 2ww0 s TRP 527 Ca 0.43 0.47 0.00 0.00 0.02 0.00 0.00 56.10 57.02 2ww0 s TRP 527 Cb -0.25 -1.91 0.00 0.00 -1.15 0.00 0.00 33.47 30.16 2ww0 s TRP 527 CO 0.31 0.63 0.00 0.41 0.02 0.00 0.00 176.95 178.32 2ww0 n GLY 528 N 1.06 -0.55 6.54 0.98 0.00 -0.72 -4.51 105.19 107.99 2ww0 n GLY 528 Ca -0.11 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2ww0 n GLY 528 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ww0 n ASP 529 N 0.22 0.00 0.21 1.61 -0.08 -1.26 -1.15 116.55 116.10 2ww0 n ASP 529 Ca 0.00 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.42 2ww0 n ASP 529 Cb 0.00 0.00 0.46 0.00 2.34 0.00 0.00 41.12 43.92 2ww0 n ASP 529 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ww0 h ALA 530 N -0.70 1.00 -1.71 -1.67 0.00 -1.92 0.96 119.26 115.22 2ww0 h ALA 530 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2ww0 h ALA 530 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 2ww0 h ALA 530 CO 0.00 0.00 -0.53 -0.06 0.00 0.00 0.00 179.25 178.66 2ww0 s PHE 531 N -3.39 1.80 -0.24 0.00 0.08 -0.30 -0.70 117.98 115.23 2ww0 s PHE 531 Ca 0.05 -1.24 -0.00 0.00 0.12 0.00 0.00 56.93 55.85 2ww0 s PHE 531 Cb 0.08 -1.16 0.03 0.00 -0.57 0.00 0.00 43.02 41.40 2ww0 s PHE 531 CO 0.57 -0.26 -0.09 0.95 -0.10 0.00 0.00 175.22 176.28 2ww0 s THR 532 N -3.24 2.63 -1.25 0.64 -4.23 -1.26 -3.74 115.64 105.19 2ww0 s THR 532 Ca 0.26 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.61 2ww0 s THR 532 Cb 0.03 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2ww0 s THR 532 CO 0.15 0.23 0.72 -0.62 -0.54 0.00 0.00 174.62 174.55 2ww0 n GLU 533 N 4.62 -3.64 0.00 3.99 1.02 -1.26 -4.86 120.64 120.51 2ww0 n GLU 533 Ca -0.17 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2ww0 n GLU 533 Cb 0.47 -4.95 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 2ww0 n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ww0 n GLY 534 N -1.59 -0.10 3.51 0.62 0.00 -1.26 -4.91 105.19 101.45 2ww0 n GLY 534 Ca -0.23 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 2ww0 n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ww0 n ASN 535 N 0.00 2.45 -0.32 1.61 0.23 -1.26 -1.75 115.26 116.22 2ww0 n ASN 535 Ca 0.00 -3.20 0.23 0.00 -0.53 0.00 0.00 54.58 51.08 2ww0 n ASN 535 Cb 0.00 0.65 0.52 0.00 -2.08 0.00 0.00 39.78 38.87 2ww0 n ASN 535 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2ww0 h SER 536 N 1.40 0.43 0.62 0.53 0.87 -1.68 0.33 113.55 116.04 2ww0 h SER 536 Ca -0.38 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2ww0 h SER 536 Cb 1.25 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2ww0 h SER 536 CO 0.61 0.09 -0.02 -0.50 -0.53 0.00 0.00 176.83 176.48 2ww0 h TRP 537 N 0.38 0.00 0.05 2.24 4.06 -1.92 -1.01 115.95 119.74 2ww0 h TRP 537 Ca 0.59 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 61.17 2ww0 h TRP 537 Cb 1.52 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.63 2ww0 h TRP 537 CO -0.00 0.02 -2.17 0.72 -3.56 0.00 0.00 178.44 173.45 2ww0 n HIS 538 N -3.15 0.58 0.15 0.49 8.25 0.11 -4.53 115.22 117.11 2ww0 n HIS 538 Ca -0.01 0.15 0.03 0.00 -0.26 0.00 0.00 57.72 57.63 2ww0 n HIS 538 Cb 0.22 -1.07 0.10 0.00 1.12 0.00 0.00 29.99 30.36 2ww0 n HIS 538 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2ww0 h TYR 539 N -0.23 0.00 -0.26 4.41 -1.99 -1.20 -3.32 116.97 114.38 2ww0 h TYR 539 Ca -0.51 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.29 2ww0 h TYR 539 Cb 1.84 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.56 2ww0 h TYR 539 CO 0.04 0.48 0.31 1.15 -0.00 0.00 0.00 178.16 180.14 2ww0 h THR 540 N 0.00 0.40 -0.05 -2.88 2.02 -1.42 0.21 112.91 111.19 2ww0 h THR 540 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ww0 h THR 540 Cb 1.27 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2ww0 h THR 540 CO 0.06 0.00 0.00 0.79 0.37 0.00 0.00 175.52 176.74 2ww0 n TRP 541 N -3.70 0.05 -1.68 3.16 7.02 -1.25 -4.61 117.44 116.43 2ww0 n TRP 541 Ca 0.04 -0.03 -0.41 0.00 -1.02 0.00 0.00 57.50 56.08 2ww0 n TRP 541 Cb 0.45 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.33 2ww0 n TRP 541 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2ww0 n SER 542 N -0.28 5.32 -2.99 -0.99 7.64 0.06 -4.47 113.62 117.91 2ww0 n SER 542 Ca 0.18 -2.80 -0.18 0.00 1.01 0.00 0.00 58.87 57.08 2ww0 n SER 542 Cb 0.23 -1.61 -0.02 0.00 -1.01 0.00 0.00 64.21 61.80 2ww0 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2ww0 n VAL 543 N 4.47 0.81 -0.32 0.44 0.31 -1.26 -4.74 118.33 118.03 2ww0 n VAL 543 Ca 0.58 -4.48 0.15 0.00 -0.01 0.00 0.00 64.34 60.58 2ww0 n VAL 543 Cb 0.34 -0.34 0.38 0.00 -0.91 0.00 0.00 33.84 33.32 2ww0 n VAL 543 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2ww0 h PHE 544 N 2.97 0.91 0.00 3.52 -1.00 -1.89 -0.42 116.94 121.03 2ww0 h PHE 544 Ca 0.08 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2ww0 h PHE 544 Cb 0.93 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.21 2ww0 h PHE 544 CO 0.56 0.21 -0.27 1.12 -1.61 0.00 0.00 178.31 178.31 2ww0 h HIS 545 N 0.66 0.00 -1.78 -0.55 2.07 -1.91 -3.40 115.15 110.23 2ww0 h HIS 545 Ca 0.55 0.00 -0.48 0.00 -2.85 0.00 0.00 60.37 57.60 2ww0 h HIS 545 Cb 1.00 0.00 -0.37 0.00 2.57 0.00 0.00 27.41 30.61 2ww0 h HIS 545 CO -0.00 0.00 -1.09 -3.47 -3.07 0.00 0.00 177.93 170.29 2ww0 n ASP 546 N -2.41 0.27 -0.35 3.10 2.03 -0.18 0.12 116.55 119.13 2ww0 n ASP 546 Ca 0.04 -2.98 -0.03 0.00 0.52 0.00 0.00 54.79 52.34 2ww0 n ASP 546 Cb 0.46 -0.35 0.10 0.00 -0.72 0.00 0.00 41.12 40.61 2ww0 n ASP 546 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2ww0 h PRO 547 N 3.31 1.27 -0.69 -0.67 0.11 -1.74 -1.89 132.00 131.70 2ww0 h PRO 547 Ca 0.07 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2ww0 h PRO 547 Cb 0.96 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.76 2ww0 h PRO 547 CO 0.45 0.87 0.32 0.37 -0.21 0.00 0.00 178.00 179.80 2ww0 h GLN 548 N 1.29 0.99 -0.98 1.05 5.75 -1.90 0.17 115.11 121.48 2ww0 h GLN 548 Ca 0.34 -0.14 0.07 0.00 -0.15 0.00 0.00 58.65 58.77 2ww0 h GLN 548 Cb -0.09 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 28.21 2ww0 h GLN 548 CO -0.07 0.77 0.63 0.78 -2.65 0.00 0.00 178.83 178.29 2ww0 h GLY 549 N 1.05 1.48 0.79 2.39 0.00 -1.75 0.16 103.07 107.19 2ww0 h GLY 549 Ca 0.24 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 2ww0 h GLY 549 CO -0.03 0.32 -0.14 -2.00 0.00 0.00 0.00 176.54 174.70 2ww0 h LEU 550 N 1.14 0.44 -0.64 3.11 5.85 -0.83 -1.92 115.31 122.45 2ww0 h LEU 550 Ca 0.42 -0.45 0.12 0.00 0.84 0.00 0.00 57.88 58.81 2ww0 h LEU 550 Cb 0.17 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 2ww0 h LEU 550 CO -0.17 0.80 0.18 0.40 -0.34 0.00 0.00 178.44 179.30 2ww0 h ILE 551 N 0.09 0.65 -0.16 4.05 2.04 -0.03 -1.23 117.51 122.91 2ww0 h ILE 551 Ca 0.04 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2ww0 h ILE 551 Cb 0.65 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2ww0 h ILE 551 CO 0.04 0.06 0.10 0.44 0.00 0.00 0.00 178.15 178.79 2ww0 h ASP 552 N 0.32 0.19 -0.14 1.72 3.32 -0.49 -2.21 116.42 119.13 2ww0 h ASP 552 Ca 0.34 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.40 2ww0 h ASP 552 Cb 0.51 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2ww0 h ASP 552 CO -0.40 0.16 0.10 -0.07 -1.72 0.00 0.00 179.24 177.31 2ww0 h LEU 553 N 0.20 0.00 -0.02 1.55 4.07 -0.44 0.18 115.31 120.85 2ww0 h LEU 553 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2ww0 h LEU 553 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ww0 h LEU 553 CO -0.01 0.00 -0.03 0.23 -1.08 0.00 0.00 178.44 177.55 2ww0 n MET 554 N -4.47 0.26 -0.73 1.13 2.81 -0.75 -4.92 117.12 110.45 2ww0 n MET 554 Ca 0.00 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2ww0 n MET 554 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2ww0 n MET 554 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww0 n GLY 555 N 1.38 0.49 0.00 3.03 0.00 0.64 -4.65 105.19 106.08 2ww0 n GLY 555 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2ww0 n GLY 555 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 556 N -0.37 -0.96 0.30 -0.02 0.00 -0.97 -4.31 105.19 98.87 2ww0 n GLY 556 Ca 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 2ww0 n GLY 556 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ww0 h LYS 557 N 0.00 1.04 -0.27 1.61 2.10 -1.92 -2.10 116.57 117.02 2ww0 h LYS 557 Ca 0.00 -0.12 0.07 0.00 -2.00 0.00 0.00 60.65 58.60 2ww0 h LYS 557 Cb 0.00 -0.20 -0.07 0.00 -0.90 0.00 0.00 32.23 31.05 2ww0 h LYS 557 CO 0.00 0.77 -0.25 1.49 -2.00 0.00 0.00 179.45 179.46 2ww0 h GLU 558 N 1.03 -0.23 -0.08 0.07 4.81 -1.90 0.28 114.58 118.56 2ww0 h GLU 558 Ca 0.26 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2ww0 h GLU 558 Cb 0.03 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2ww0 h GLU 558 CO -0.04 -0.15 -0.26 0.52 -0.73 0.00 0.00 179.01 178.35 2ww0 h MET 559 N -0.24 0.15 0.00 1.92 2.86 -1.68 -0.80 114.93 117.14 2ww0 h MET 559 Ca 0.15 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2ww0 h MET 559 Cb 0.47 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2ww0 h MET 559 CO -0.41 0.40 -0.00 0.35 1.06 0.00 0.00 176.91 178.31 2ww0 h PHE 560 N 0.14 -0.01 -0.82 -0.22 3.04 -0.50 -1.35 116.94 117.23 2ww0 h PHE 560 Ca 0.02 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.95 2ww0 h PHE 560 Cb 0.54 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.01 2ww0 h PHE 560 CO 0.01 0.24 0.43 0.28 -2.02 0.00 0.00 178.31 177.24 2ww0 h VAL 561 N -0.25 1.25 -0.75 1.41 2.07 -0.16 -0.76 116.25 119.05 2ww0 h VAL 561 Ca -0.00 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 66.97 2ww0 h VAL 561 Cb 0.24 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 2ww0 h VAL 561 CO 0.00 0.29 0.40 0.74 0.02 0.00 0.00 177.57 179.01 2ww0 h THR 562 N 1.15 0.87 -0.33 2.57 2.02 -1.01 -0.42 112.91 117.76 2ww0 h THR 562 Ca 0.29 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2ww0 h THR 562 Cb 0.07 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2ww0 h THR 562 CO -0.04 0.12 0.10 -0.03 0.37 0.00 0.00 175.52 176.04 2ww0 h MET 563 N 0.67 0.51 -0.09 6.66 -1.53 -0.37 -2.76 114.93 118.02 2ww0 h MET 563 Ca 0.37 -0.11 0.01 0.00 -3.44 0.00 0.00 59.70 56.53 2ww0 h MET 563 Cb 0.37 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 2ww0 h MET 563 CO -0.26 0.55 0.03 0.52 0.14 0.00 0.00 176.91 177.89 2ww0 h MET 564 N 0.38 0.08 -0.76 0.39 2.86 -0.73 -2.96 114.93 114.18 2ww0 h MET 564 Ca 0.11 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.84 2ww0 h MET 564 Cb 0.25 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 2ww0 h MET 564 CO -0.00 0.05 0.50 -0.44 1.06 0.00 0.00 176.91 178.08 2ww0 h ASP 565 N 0.08 0.59 0.80 1.22 3.32 -0.96 0.64 116.42 122.11 2ww0 h ASP 565 Ca 0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2ww0 h ASP 565 Cb 0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2ww0 h ASP 565 CO -0.04 0.34 0.00 -1.54 -1.72 0.00 0.00 179.24 176.29 2ww0 n SER 566 N -4.50 0.10 -0.18 6.45 3.41 -1.05 -1.92 113.62 115.93 2ww0 n SER 566 Ca 0.13 0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 59.17 2ww0 n SER 566 Cb 0.36 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.78 2ww0 n SER 566 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2ww0 h VAL 567 N 0.00 1.23 0.00 -3.33 2.07 -0.87 -2.67 116.25 112.68 2ww0 h VAL 567 Ca 0.00 -0.77 -0.19 0.00 0.82 0.00 0.00 66.70 66.56 2ww0 h VAL 567 Cb 0.40 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2ww0 h VAL 567 CO 0.00 0.28 -0.91 -0.26 0.02 0.00 0.00 177.57 176.70 2ww0 h PHE 568 N 0.68 0.00 0.03 1.57 0.04 -1.53 0.34 116.94 118.06 2ww0 h PHE 568 Ca 0.16 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.72 2ww0 h PHE 568 Cb 0.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2ww0 h PHE 568 CO 0.01 0.89 -0.97 0.00 -0.60 0.00 0.00 178.31 177.65 2ww0 h ALA 569 N 1.11 0.42 -2.29 2.45 0.00 -1.31 -3.20 119.26 116.44 2ww0 h ALA 569 Ca -0.02 -0.80 -0.47 0.00 0.00 0.00 0.00 54.91 53.63 2ww0 h ALA 569 Cb 1.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2ww0 h ALA 569 CO 0.12 1.02 0.28 0.14 0.00 0.00 0.00 179.25 180.80 2ww0 s VAL 570 N -2.97 4.39 0.83 0.00 -7.23 -1.01 -4.95 120.40 109.45 2ww0 s VAL 570 Ca -0.02 1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 61.52 2ww0 s VAL 570 Cb 0.10 -3.78 0.08 0.00 0.56 0.00 0.00 36.38 33.34 2ww0 s VAL 570 CO 0.83 -0.07 1.04 -0.81 -0.31 0.00 0.00 175.10 175.78 2ww0 n PRO 571 N -0.01 0.05 -1.46 4.82 -0.04 -1.26 -3.96 135.00 133.13 2ww0 n PRO 571 Ca 0.04 0.09 -0.40 0.00 -0.04 0.00 0.00 63.50 63.19 2ww0 n PRO 571 Cb 0.52 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.66 2ww0 n PRO 571 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2ww0 n PRO 572 N -3.00 3.18 -2.53 0.54 -0.04 -1.26 -4.62 135.00 127.27 2ww0 n PRO 572 Ca 0.12 -2.33 -0.27 0.00 -0.04 0.00 0.00 63.50 60.98 2ww0 n PRO 572 Cb 0.51 -3.00 0.01 0.00 -0.04 0.00 0.00 33.50 30.97 2ww0 n PRO 572 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ww0 s ILE 573 N 2.78 4.60 0.17 0.52 1.10 -1.26 -4.80 121.20 124.31 2ww0 s ILE 573 Ca 0.58 0.19 -0.24 0.00 -0.51 0.00 0.00 60.65 60.68 2ww0 s ILE 573 Cb 0.16 -3.77 0.06 0.00 0.15 0.00 0.00 42.46 39.06 2ww0 s ILE 573 CO -0.07 -0.78 0.75 0.72 -2.11 0.00 0.00 174.94 173.45 2ww0 s PHE 574 N -2.83 -0.32 -0.22 3.50 -0.12 -1.26 -4.99 117.98 111.74 2ww0 s PHE 574 Ca 0.49 0.03 -0.00 0.00 -0.05 0.00 0.00 56.93 57.40 2ww0 s PHE 574 Cb -0.10 0.62 0.06 0.00 -0.63 0.00 0.00 43.02 42.96 2ww0 s PHE 574 CO 0.45 -0.93 -0.04 0.34 -0.05 0.00 0.00 175.22 175.00 2ww0 s ASP 575 N -2.80 3.53 -0.07 1.98 -1.08 -0.69 -4.97 116.67 112.56 2ww0 s ASP 575 Ca 0.07 -1.04 0.19 0.00 -0.52 0.00 0.00 52.55 51.25 2ww0 s ASP 575 Cb -0.03 -1.03 0.65 0.00 -1.46 0.00 0.00 42.92 41.06 2ww0 s ASP 575 CO -0.03 -0.24 1.56 -0.90 0.52 0.00 0.00 175.17 176.08 2ww0 n ASP 576 N 4.77 4.33 -0.31 -0.34 5.75 -1.26 -1.68 116.55 127.80 2ww0 n ASP 576 Ca -0.11 -2.30 0.27 0.00 -0.01 0.00 0.00 54.79 52.63 2ww0 n ASP 576 Cb 0.45 -0.52 0.59 0.00 -1.03 0.00 0.00 41.12 40.61 2ww0 n ASP 576 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2ww0 h SER 577 N 3.84 0.30 0.90 -1.12 4.64 -1.93 0.57 113.55 120.75 2ww0 h SER 577 Ca 0.00 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2ww0 h SER 577 Cb 1.25 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2ww0 h SER 577 CO 0.14 0.05 -0.02 0.22 -0.87 0.00 0.00 176.83 176.35 2ww0 h TYR 578 N 0.26 0.00 0.00 4.77 3.20 -1.83 -3.01 116.97 120.36 2ww0 h TYR 578 Ca 0.58 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.45 2ww0 h TYR 578 Cb 1.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.00 2ww0 h TYR 578 CO -0.00 0.02 -1.30 0.66 -1.64 0.00 0.00 178.16 175.90 2ww0 n TYR 579 N -3.13 0.00 0.00 -3.82 4.01 0.18 -4.97 117.16 109.43 2ww0 n TYR 579 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2ww0 n TYR 579 Cb 0.29 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 2ww0 n TYR 579 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ww0 n GLY 580 N 1.69 2.24 3.17 2.72 0.00 -0.20 -4.91 105.19 109.90 2ww0 n GLY 580 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 580 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ww0 s GLN 581 N 0.00 0.89 -1.18 1.61 -2.07 -1.26 -4.99 119.66 112.67 2ww0 s GLN 581 Ca 0.00 -1.39 -0.21 0.00 -1.82 0.00 0.00 55.36 51.94 2ww0 s GLN 581 Cb 0.00 -0.08 0.03 0.00 -1.09 0.00 0.00 33.01 31.87 2ww0 s GLN 581 CO 0.00 -0.10 1.71 0.08 -1.32 0.00 0.00 175.29 175.66 2ww0 s VAL 582 N -3.75 3.92 0.80 3.63 1.01 -1.26 -4.92 120.40 119.83 2ww0 s VAL 582 Ca 0.17 -1.34 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 2ww0 s VAL 582 Cb 0.06 -4.97 0.02 0.00 0.00 0.00 0.00 36.38 31.49 2ww0 s VAL 582 CO -0.02 -1.76 0.77 2.30 0.00 0.00 0.00 175.10 176.40 2ww0 n ILE 583 N 6.87 1.61 -0.32 2.22 -5.35 -1.26 -4.57 119.36 118.57 2ww0 n ILE 583 Ca 0.44 -0.29 0.12 0.00 -0.27 0.00 0.00 62.75 62.74 2ww0 n ILE 583 Cb 0.47 -0.91 0.34 0.00 -1.74 0.00 0.00 39.64 37.81 2ww0 n ILE 583 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2ww0 h HIS 584 N -0.78 0.95 0.00 4.28 2.07 -1.78 -0.76 115.15 119.14 2ww0 h HIS 584 Ca -0.46 0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 57.04 2ww0 h HIS 584 Cb 1.32 -0.30 -0.01 0.00 2.57 0.00 0.00 27.41 30.99 2ww0 h HIS 584 CO 0.40 0.31 -0.27 1.05 -3.07 0.00 0.00 177.93 176.34 2ww0 h GLU 585 N 0.77 0.00 -0.02 5.12 9.09 -1.88 0.39 114.58 128.04 2ww0 h GLU 585 Ca 0.50 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.81 2ww0 h GLU 585 Cb 0.76 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.87 2ww0 h GLU 585 CO -0.27 0.27 -0.40 0.82 0.05 0.00 0.00 179.01 179.48 2ww0 h ILE 586 N 0.00 1.47 -0.40 -1.06 2.04 -1.47 -3.03 117.51 115.06 2ww0 h ILE 586 Ca -0.00 -1.94 0.06 0.00 1.00 0.00 0.00 64.86 63.98 2ww0 h ILE 586 Cb 0.62 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 39.24 2ww0 h ILE 586 CO 0.04 0.55 0.10 -0.09 0.00 0.00 0.00 178.15 178.75 2ww0 h ARG 587 N -0.26 0.23 -0.78 2.37 9.65 -1.02 -1.66 114.38 122.91 2ww0 h ARG 587 Ca -0.04 -0.01 0.15 0.00 -1.10 0.00 0.00 59.98 58.97 2ww0 h ARG 587 Cb 1.11 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.59 2ww0 h ARG 587 CO 0.08 0.15 0.52 0.93 2.80 0.00 0.00 179.97 184.45 2ww0 h GLU 588 N 0.24 0.43 -0.15 0.20 5.08 -0.98 -0.63 114.58 118.77 2ww0 h GLU 588 Ca 0.19 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2ww0 h GLU 588 Cb 0.21 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ww0 h GLU 588 CO -0.23 0.29 -0.38 1.98 -1.00 0.00 0.00 179.01 179.67 2ww0 h MET 589 N 0.45 0.51 -0.66 2.33 4.05 -1.20 -3.32 114.93 117.09 2ww0 h MET 589 Ca 0.38 -0.36 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2ww0 h MET 589 Cb 0.85 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.67 2ww0 h MET 589 CO -0.13 0.97 0.37 1.79 0.23 0.00 0.00 176.91 180.15 2ww0 h THR 590 N 0.14 1.20 0.00 -0.77 1.35 -0.45 -2.89 112.91 111.48 2ww0 h THR 590 Ca -0.01 -0.48 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 2ww0 h THR 590 Cb 0.99 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2ww0 h THR 590 CO 0.08 0.22 -0.15 -0.37 -0.25 0.00 0.00 175.52 175.05 2ww0 h VAL 591 N 0.92 0.28 0.00 6.82 -1.51 -1.57 -3.27 116.25 117.93 2ww0 h VAL 591 Ca 0.24 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 2ww0 h VAL 591 Cb 0.01 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2ww0 h VAL 591 CO -0.04 0.15 0.00 0.24 -1.23 0.00 0.00 177.57 176.69 2ww0 h MET 592 N 0.00 0.00 -5.75 5.19 2.86 -1.61 -3.47 114.93 112.16 2ww0 h MET 592 Ca -0.00 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.29 2ww0 h MET 592 Cb 0.96 0.00 0.15 0.00 0.06 0.00 0.00 31.60 32.76 2ww0 h MET 592 CO 0.02 0.00 -0.77 -1.71 1.06 0.00 0.00 176.91 175.51 2ww0 n ASN 593 N -2.84 -2.24 -2.73 1.22 4.05 -1.23 -4.93 115.26 106.56 2ww0 n ASN 593 Ca 0.03 -0.65 -0.18 0.00 0.45 0.00 0.00 54.58 54.23 2ww0 n ASN 593 Cb 0.41 -4.93 0.00 0.00 1.23 0.00 0.00 39.78 36.50 2ww0 n ASN 593 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2ww0 n MET 594 N -4.22 2.06 0.00 1.20 2.81 -1.26 -5.10 117.12 112.61 2ww0 n MET 594 Ca -0.27 -3.85 0.00 0.00 -1.81 0.00 0.00 57.70 51.77 2ww0 n MET 594 Cb 0.66 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 2ww0 n MET 594 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2ww0 n GLY 595 N -0.16 2.99 1.47 3.03 0.00 -1.21 -1.52 105.19 109.80 2ww0 n GLY 595 Ca 0.23 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 46.18 2ww0 n GLY 595 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ww0 n ASN 596 N 2.45 4.33 -4.56 1.61 3.02 0.12 -4.01 115.26 118.22 2ww0 n ASN 596 Ca 0.00 -2.39 -0.38 0.00 -0.03 0.00 0.00 54.58 51.78 2ww0 n ASN 596 Cb 0.00 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.59 2ww0 n ASN 596 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ww0 s TYR 597 N -1.80 2.19 -1.27 3.10 5.04 -0.57 -4.88 117.35 119.15 2ww0 s TYR 597 Ca 0.46 -0.09 -0.09 0.00 -2.44 0.00 0.00 57.07 54.91 2ww0 s TYR 597 Cb 0.30 -4.46 0.17 0.00 0.35 0.00 0.00 41.96 38.32 2ww0 s TYR 597 CO 0.23 -1.99 1.85 0.00 -1.34 0.00 0.00 175.55 174.30 2ww0 n ALA 598 N 10.63 5.33 0.31 3.97 0.00 -1.26 -4.76 120.51 134.73 2ww0 n ALA 598 Ca 0.25 -4.33 0.21 0.00 0.00 0.00 0.00 53.44 49.57 2ww0 n ALA 598 Cb 0.50 -2.96 1.13 0.00 0.00 0.00 0.00 19.45 18.12 2ww0 n ALA 598 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ww0 h HIS 599 N 5.76 0.00 0.00 0.00 2.76 -1.93 -0.97 115.15 120.77 2ww0 h HIS 599 Ca 0.39 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2ww0 h HIS 599 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.59 2ww0 h HIS 599 CO 1.24 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 178.28 2ww0 n GLY 600 N -1.10 -0.72 3.20 5.26 0.00 -1.26 -4.73 105.19 105.83 2ww0 n GLY 600 Ca -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2ww0 n GLY 600 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ww0 s ASN 601 N -2.82 1.39 0.16 1.61 2.47 -0.37 -3.88 114.94 113.50 2ww0 s ASN 601 Ca 0.06 -0.99 -0.11 0.00 0.42 0.00 0.00 52.86 52.25 2ww0 s ASN 601 Cb 0.06 0.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.93 2ww0 s ASN 601 CO 0.16 -0.40 1.57 1.56 -3.72 0.00 0.00 177.10 176.27 2ww0 h GLN 602 N 2.96 0.98 -0.80 0.43 7.50 -1.85 -3.29 115.11 121.05 2ww0 h GLN 602 Ca -0.36 -0.37 0.12 0.00 0.50 0.00 0.00 58.65 58.54 2ww0 h GLN 602 Cb 1.18 -0.06 -0.06 0.00 0.05 0.00 0.00 27.48 28.59 2ww0 h GLN 602 CO 0.63 1.05 0.52 -1.35 -1.50 0.00 0.00 178.83 178.18 2ww0 h PRO 603 N 0.84 0.60 -0.15 1.46 0.11 -1.92 -2.10 132.00 130.84 2ww0 h PRO 603 Ca 0.13 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2ww0 h PRO 603 Cb 0.68 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.66 2ww0 h PRO 603 CO 0.05 0.39 0.00 1.51 -0.21 0.00 0.00 178.00 179.74 2ww0 n ILE 604 N -4.51 0.17 0.30 4.15 3.06 -1.24 -4.51 119.36 116.78 2ww0 n ILE 604 Ca 0.15 -0.46 0.18 0.00 -2.50 0.00 0.00 62.75 60.11 2ww0 n ILE 604 Cb 0.42 0.86 0.81 0.00 0.54 0.00 0.00 39.64 42.28 2ww0 n ILE 604 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2ww0 h GLN 605 N 3.49 0.00 0.00 9.51 4.20 -1.53 -1.38 115.11 129.41 2ww0 h GLN 605 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ww0 h GLN 605 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2ww0 h GLN 605 CO 0.00 0.00 -1.17 -2.39 -0.67 0.00 0.00 178.83 174.60 2ww0 n HIS 606 N -2.87 0.17 -0.07 2.96 1.44 -1.26 -4.65 115.22 110.94 2ww0 n HIS 606 Ca -0.00 0.05 -0.07 0.00 -2.01 0.00 0.00 57.72 55.68 2ww0 n HIS 606 Cb 0.19 -0.36 -0.01 0.00 0.12 0.00 0.00 29.99 29.94 2ww0 n HIS 606 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2ww0 h MET 607 N 0.00 -0.15 -1.04 -1.40 -1.53 -1.55 -1.62 114.93 107.65 2ww0 h MET 607 Ca 0.00 0.01 0.27 0.00 -3.44 0.00 0.00 59.70 56.54 2ww0 h MET 607 Cb 0.73 0.03 -0.07 0.00 -0.55 0.00 0.00 31.60 31.74 2ww0 h MET 607 CO 0.00 -0.10 0.70 0.82 0.14 0.00 0.00 176.91 178.47 2ww0 h ILE 608 N -0.16 0.52 0.00 1.77 2.04 -1.83 0.31 117.51 120.17 2ww0 h ILE 608 Ca 0.15 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 2ww0 h ILE 608 Cb 0.39 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2ww0 h ILE 608 CO -0.39 0.05 -0.07 1.88 0.00 0.00 0.00 178.15 179.62 2ww0 h TYR 609 N 0.26 0.00 -0.03 1.37 -1.99 -1.63 -2.59 116.97 112.36 2ww0 h TYR 609 Ca 0.55 0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.29 2ww0 h TYR 609 Cb 1.65 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 40.38 2ww0 h TYR 609 CO -0.00 0.07 0.03 -0.07 -0.00 0.00 0.00 178.16 178.19 2ww0 h LEU 610 N 0.00 0.00 -1.65 3.88 4.07 -0.45 -0.35 115.31 120.81 2ww0 h LEU 610 Ca -0.00 0.00 0.27 0.00 0.08 0.00 0.00 57.88 58.22 2ww0 h LEU 610 Cb 0.36 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.04 2ww0 h LEU 610 CO 0.01 0.00 0.68 1.88 -1.08 0.00 0.00 178.44 179.93 2ww0 h TYR 611 N 0.00 0.37 -0.93 1.13 0.05 -1.61 0.27 116.97 116.26 2ww0 h TYR 611 Ca 0.02 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.83 2ww0 h TYR 611 Cb 0.07 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.65 2ww0 h TYR 611 CO 0.00 0.06 0.61 -0.44 -1.05 0.00 0.00 178.16 177.33 2ww0 h ASP 612 N 0.24 1.03 0.73 3.88 5.19 -1.28 -2.18 116.42 124.03 2ww0 h ASP 612 Ca 0.53 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 2ww0 h ASP 612 Cb 1.61 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.88 2ww0 h ASP 612 CO -0.15 0.72 0.00 1.88 -3.12 0.00 0.00 179.24 178.57 2ww0 h TYR 613 N 1.20 0.00 -0.57 4.55 -1.99 -0.60 -2.57 116.97 117.00 2ww0 h TYR 613 Ca 0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.09 2ww0 h TYR 613 Cb -0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.67 2ww0 h TYR 613 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.15 2ww0 n ALA 614 N -2.03 2.31 -2.02 3.88 0.00 -0.85 -4.94 120.51 116.85 2ww0 n ALA 614 Ca -0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 53.44 52.20 2ww0 n ALA 614 Cb 0.24 -0.74 -0.00 0.00 0.00 0.00 0.00 19.45 18.94 2ww0 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ww0 n GLY 615 N 1.23 0.30 2.25 0.00 0.00 -0.97 -4.90 105.19 103.11 2ww0 n GLY 615 Ca 0.19 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 2ww0 n GLY 615 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ww0 n GLN 616 N -1.20 1.15 0.25 1.61 6.02 -1.00 -4.63 117.38 119.58 2ww0 n GLN 616 Ca -0.02 -3.49 0.17 0.00 -0.01 0.00 0.00 57.00 53.65 2ww0 n GLN 616 Cb 0.51 -1.74 0.89 0.00 1.02 0.00 0.00 30.24 30.92 2ww0 n GLN 616 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2ww0 h PRO 617 N 3.00 0.00 -0.06 -1.09 0.13 -1.84 -1.85 132.00 130.29 2ww0 h PRO 617 Ca 0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 2ww0 h PRO 617 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2ww0 h PRO 617 CO 0.52 0.00 -0.38 0.11 -0.23 0.00 0.00 178.00 178.02 2ww0 h TRP 618 N 0.00 0.15 -0.35 1.56 0.09 -1.90 -0.32 115.95 115.18 2ww0 h TRP 618 Ca 0.05 -0.04 -0.11 0.00 0.09 0.00 0.00 58.89 58.89 2ww0 h TRP 618 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 29.16 29.54 2ww0 h TRP 618 CO 0.00 0.50 -0.24 0.87 0.09 0.00 0.00 178.44 179.66 2ww0 h LYS 619 N 0.11 0.69 -0.39 0.12 1.57 -1.72 -0.69 116.57 116.26 2ww0 h LYS 619 Ca 0.01 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 2ww0 h LYS 619 Cb 0.73 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2ww0 h LYS 619 CO 0.05 0.87 0.10 0.00 -0.57 0.00 0.00 179.45 179.90 2ww0 h ALA 620 N 1.13 0.52 -0.49 3.86 0.00 -1.42 -2.19 119.26 120.67 2ww0 h ALA 620 Ca 0.08 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2ww0 h ALA 620 Cb 0.72 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2ww0 h ALA 620 CO 0.06 0.19 0.21 1.96 0.00 0.00 0.00 179.25 181.67 2ww0 h GLN 621 N 0.49 0.40 0.21 0.00 4.20 -0.75 -0.22 115.11 119.44 2ww0 h GLN 621 Ca 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2ww0 h GLN 621 Cb 0.30 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2ww0 h GLN 621 CO 0.00 0.26 -0.10 -0.92 -0.67 0.00 0.00 178.83 177.40 2ww0 h TYR 622 N 0.41 -0.26 -0.13 2.96 3.20 -0.94 -2.59 116.97 119.62 2ww0 h TYR 622 Ca 0.23 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 2ww0 h TYR 622 Cb 0.19 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2ww0 h TYR 622 CO -0.13 -0.15 -0.31 -1.49 -1.64 0.00 0.00 178.16 174.44 2ww0 h TRP 623 N -0.29 0.57 -0.78 -3.82 4.06 -1.22 -2.45 115.95 112.01 2ww0 h TRP 623 Ca -0.03 -0.21 0.18 0.00 2.06 0.00 0.00 58.89 60.89 2ww0 h TRP 623 Cb 0.22 -0.10 -0.12 0.00 -1.00 0.00 0.00 29.16 28.16 2ww0 h TRP 623 CO -0.06 0.93 0.15 -0.07 -3.56 0.00 0.00 178.44 175.83 2ww0 h LEU 624 N 0.04 -0.08 -0.70 -4.49 4.07 -1.09 0.19 115.31 113.27 2ww0 h LEU 624 Ca -0.00 0.17 -0.12 0.00 0.08 0.00 0.00 57.88 58.01 2ww0 h LEU 624 Cb 0.91 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 2ww0 h LEU 624 CO 0.07 -0.10 -0.32 -0.09 -1.08 0.00 0.00 178.44 176.91 2ww0 h ARG 625 N 0.21 0.65 -0.12 1.13 9.65 -1.36 -1.02 114.38 123.53 2ww0 h ARG 625 Ca 0.45 -0.30 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 2ww0 h ARG 625 Cb 0.82 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.33 2ww0 h ARG 625 CO -0.59 0.89 -0.21 1.96 2.80 0.00 0.00 179.97 184.82 2ww0 h GLN 626 N 0.55 -0.26 -0.41 0.20 1.08 -0.62 -1.11 115.11 114.54 2ww0 h GLN 626 Ca 0.06 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2ww0 h GLN 626 Cb 0.82 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 2ww0 h GLN 626 CO 0.07 -0.17 0.26 0.28 -0.95 0.00 0.00 178.83 178.31 2ww0 h VAL 627 N -0.27 1.12 -0.20 -0.54 2.07 -0.54 -0.39 116.25 117.50 2ww0 h VAL 627 Ca 0.10 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 2ww0 h VAL 627 Cb 0.41 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2ww0 h VAL 627 CO -0.28 0.12 -0.04 0.24 0.02 0.00 0.00 177.57 177.63 2ww0 h MET 628 N 0.54 0.30 0.08 1.57 2.86 -0.98 0.09 114.93 119.40 2ww0 h MET 628 Ca 0.15 -0.05 -0.25 0.00 -2.06 0.00 0.00 59.70 57.49 2ww0 h MET 628 Cb -0.03 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2ww0 h MET 628 CO -0.03 0.36 -1.12 -0.44 1.06 0.00 0.00 176.91 176.74 2ww0 h ASP 629 N 0.29 0.32 0.00 1.22 3.32 -0.66 -3.40 116.42 117.51 2ww0 h ASP 629 Ca 0.07 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 2ww0 h ASP 629 Cb 0.26 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2ww0 h ASP 629 CO 0.01 1.22 -1.52 0.54 -1.72 0.00 0.00 179.24 177.78 2ww0 n ARG 630 N -3.53 1.72 0.00 3.56 1.74 -0.20 -4.63 116.66 115.32 2ww0 n ARG 630 Ca -0.06 -0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.11 2ww0 n ARG 630 Cb 0.96 -1.22 0.17 0.00 -1.02 0.00 0.00 32.46 31.35 2ww0 n ARG 630 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2ww0 n MET 631 N -2.12 2.10 -3.91 5.56 2.81 -0.00 -4.85 117.12 116.70 2ww0 n MET 631 Ca -0.09 -1.66 -0.20 0.00 -1.81 0.00 0.00 57.70 53.93 2ww0 n MET 631 Cb 0.57 -1.47 -0.17 0.00 -0.71 0.00 0.00 33.22 31.45 2ww0 n MET 631 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2ww0 s TYR 632 N -2.05 0.57 0.08 2.03 1.51 -1.26 -3.46 117.35 114.77 2ww0 s TYR 632 Ca 0.29 -0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.26 2ww0 s TYR 632 Cb 0.20 -0.65 -0.04 0.00 -0.11 0.00 0.00 41.96 41.37 2ww0 s TYR 632 CO 0.33 -0.23 -0.08 0.95 -1.11 0.00 0.00 175.55 175.41 2ww0 s THR 633 N 1.45 0.70 -2.16 -0.71 -4.23 -0.12 -4.86 115.64 105.71 2ww0 s THR 633 Ca -0.03 -1.62 0.25 0.00 -1.18 0.00 0.00 61.69 59.10 2ww0 s THR 633 Cb -0.13 -1.30 0.63 0.00 1.34 0.00 0.00 72.50 73.04 2ww0 s THR 633 CO -0.03 -0.67 1.84 -0.81 -0.54 0.00 0.00 174.62 174.41 2ww0 n PRO 634 N 0.52 1.29 -0.83 3.99 -0.04 -1.26 -3.94 135.00 134.72 2ww0 n PRO 634 Ca -0.16 -0.42 -0.08 0.00 -0.04 0.00 0.00 63.50 62.80 2ww0 n PRO 634 Cb 0.58 -1.41 0.05 0.00 -0.04 0.00 0.00 33.50 32.68 2ww0 n PRO 634 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ww0 n GLY 635 N 1.00 -0.40 0.27 0.55 0.00 -1.26 -4.75 105.19 100.60 2ww0 n GLY 635 Ca 0.18 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.53 2ww0 n GLY 635 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ww0 h PRO 636 N 0.00 0.00 -1.21 1.61 0.11 -1.91 -1.57 132.00 129.03 2ww0 h PRO 636 Ca -0.11 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.33 2ww0 h PRO 636 Cb 0.35 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.13 2ww0 h PRO 636 CO 0.10 0.09 0.37 -0.40 -0.21 0.00 0.00 178.00 177.95 2ww0 n ASP 637 N -3.60 6.75 0.04 -2.05 3.85 -1.26 -0.41 116.55 119.87 2ww0 n ASP 637 Ca -0.02 -3.78 -0.07 0.00 -0.71 0.00 0.00 54.79 50.21 2ww0 n ASP 637 Cb 0.21 -0.80 0.11 0.00 -1.35 0.00 0.00 41.12 39.29 2ww0 n ASP 637 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ww0 h GLY 638 N 2.31 0.45 -1.59 6.12 0.00 -1.36 -3.46 103.07 105.55 2ww0 h GLY 638 Ca 0.52 -0.51 -0.45 0.00 0.00 0.00 0.00 47.33 46.89 2ww0 h GLY 638 CO 1.30 0.46 0.05 -0.19 0.00 0.00 0.00 176.54 178.16 2ww0 s TYR 639 N -3.98 2.45 -0.75 5.60 1.51 -0.28 -0.94 117.35 120.95 2ww0 s TYR 639 Ca -0.06 -0.03 0.11 0.00 -1.01 0.00 0.00 57.07 56.09 2ww0 s TYR 639 Cb 0.12 -2.91 0.34 0.00 -0.11 0.00 0.00 41.96 39.40 2ww0 s TYR 639 CO 0.81 -1.24 1.28 0.00 -1.11 0.00 0.00 175.55 175.29 2ww0 n GLY 641 N 0.28 0.17 3.75 0.00 0.00 -1.23 -4.47 105.19 103.68 2ww0 n GLY 641 Ca 0.13 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2ww0 n GLY 641 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ww0 n ASP 642 N -0.74 3.76 0.04 1.61 8.00 -1.25 -2.92 116.55 125.05 2ww0 n ASP 642 Ca 0.05 1.16 -0.04 0.00 0.71 0.00 0.00 54.79 56.67 2ww0 n ASP 642 Cb 0.42 -1.59 0.18 0.00 -0.02 0.00 0.00 41.12 40.12 2ww0 n ASP 642 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ww0 h GLU 643 N 4.32 0.40 -5.64 -1.24 4.22 -1.55 -3.44 114.58 111.65 2ww0 h GLU 643 Ca -0.48 -0.18 -0.30 0.00 0.08 0.00 0.00 59.36 58.48 2ww0 h GLU 643 Cb 1.23 -0.01 0.17 0.00 0.50 0.00 0.00 28.75 30.65 2ww0 h GLU 643 CO 0.76 0.72 -0.87 -0.25 -2.18 0.00 0.00 179.01 177.18 2ww0 n ASP 644 N -4.05 -6.10 -3.76 1.04 8.00 -1.26 -1.68 116.55 108.74 2ww0 n ASP 644 Ca -0.01 -0.78 -0.29 0.00 0.71 0.00 0.00 54.79 54.42 2ww0 n ASP 644 Cb 0.47 -4.79 0.02 0.00 -0.02 0.00 0.00 41.12 36.80 2ww0 n ASP 644 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2ww0 n ASN 645 N -3.10 -4.62 0.00 -2.24 4.13 -1.26 -2.33 115.26 105.84 2ww0 n ASN 645 Ca -0.09 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.49 2ww0 n ASN 645 Cb 0.62 -3.72 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 2ww0 n ASN 645 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ww0 n GLY 646 N -1.55 2.94 0.37 7.41 0.00 -1.24 -4.63 105.19 108.49 2ww0 n GLY 646 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2ww0 n GLY 646 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2ww0 h GLN 647 N 1.73 -0.86 0.00 1.61 5.75 -1.47 0.47 115.11 122.35 2ww0 h GLN 647 Ca 0.00 0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.50 2ww0 h GLN 647 Cb 0.00 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2ww0 h GLN 647 CO 0.00 -0.57 -0.30 1.15 -2.65 0.00 0.00 178.83 176.46 2ww0 h THR 648 N -0.91 0.92 -0.00 2.39 2.02 -1.56 -1.50 112.91 114.27 2ww0 h THR 648 Ca -0.09 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 2ww0 h THR 648 Cb 0.69 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2ww0 h THR 648 CO 0.15 0.30 -0.03 0.28 0.37 0.00 0.00 175.52 176.59 2ww0 h SER 649 N 0.00 0.03 0.09 4.18 0.02 -1.66 -3.26 113.55 112.95 2ww0 h SER 649 Ca -0.00 -0.72 -0.01 0.00 -0.84 0.00 0.00 61.79 60.22 2ww0 h SER 649 Cb 0.66 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2ww0 h SER 649 CO 0.04 0.74 -0.03 0.00 -1.14 0.00 0.00 176.83 176.44 2ww0 h ALA 650 N 0.29 1.50 -0.62 3.77 0.00 0.12 -0.94 119.26 123.37 2ww0 h ALA 650 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ww0 h ALA 650 Cb 0.74 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2ww0 h ALA 650 CO 0.01 0.04 0.37 2.35 0.00 0.00 0.00 179.25 182.02 2ww0 h TRP 651 N 0.00 0.83 -0.32 0.00 7.01 -1.31 0.09 115.95 122.24 2ww0 h TRP 651 Ca -0.00 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 2ww0 h TRP 651 Cb 0.09 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 26.87 2ww0 h TRP 651 CO 0.00 0.57 -0.10 -0.92 -2.79 0.00 0.00 178.44 175.20 2ww0 h TYR 652 N 0.84 0.72 0.09 2.65 5.03 -1.25 -0.37 116.97 124.67 2ww0 h TYR 652 Ca 0.22 -0.16 0.01 0.00 2.58 0.00 0.00 58.73 61.38 2ww0 h TYR 652 Cb -0.01 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 2ww0 h TYR 652 CO -0.02 0.82 -0.15 0.28 -1.32 0.00 0.00 178.16 177.77 2ww0 h VAL 653 N 0.41 0.65 0.42 1.81 2.07 -0.93 0.17 116.25 120.84 2ww0 h VAL 653 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 2ww0 h VAL 653 Cb 0.60 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2ww0 h VAL 653 CO 0.04 0.00 -0.26 -0.26 0.02 0.00 0.00 177.57 177.10 2ww0 h PHE 654 N -0.30 -0.69 -0.78 1.57 0.04 -0.99 -2.67 116.94 113.11 2ww0 h PHE 654 Ca 0.02 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.85 2ww0 h PHE 654 Cb 0.32 0.25 -0.05 0.00 2.20 0.00 0.00 35.95 38.67 2ww0 h PHE 654 CO -0.17 -0.41 0.51 0.77 -0.60 0.00 0.00 178.31 178.42 2ww0 h SER 655 N -0.66 0.75 0.43 2.17 0.02 -0.80 0.94 113.55 116.41 2ww0 h SER 655 Ca -0.05 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2ww0 h SER 655 Cb 0.54 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2ww0 h SER 655 CO 0.04 0.49 -0.43 0.00 -1.14 0.00 0.00 176.83 175.79 2ww0 h ALA 656 N 1.57 1.28 -0.08 3.77 0.00 -0.58 -2.42 119.26 122.81 2ww0 h ALA 656 Ca 0.33 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 2ww0 h ALA 656 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ww0 h ALA 656 CO -0.11 0.54 -0.62 -0.07 0.00 0.00 0.00 179.25 178.99 2ww0 h LEU 657 N 0.00 0.32 0.00 0.00 3.38 -0.51 0.12 115.31 118.63 2ww0 h LEU 657 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ww0 h LEU 657 Cb 0.77 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2ww0 h LEU 657 CO 0.06 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2ww0 n GLY 658 N 0.31 0.66 3.50 0.83 0.00 -0.55 -4.46 105.19 105.46 2ww0 n GLY 658 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2ww0 n GLY 658 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ww0 s PHE 659 N -1.53 0.04 -0.14 1.61 -0.12 -1.18 0.11 117.98 116.78 2ww0 s PHE 659 Ca 0.00 -0.40 -0.13 0.00 -0.05 0.00 0.00 56.93 56.36 2ww0 s PHE 659 Cb 0.00 0.28 0.04 0.00 -0.63 0.00 0.00 43.02 42.71 2ww0 s PHE 659 CO 0.00 -0.89 0.37 -0.47 -0.05 0.00 0.00 175.22 174.18 2ww0 s TYR 660 N -3.91 -0.41 -1.34 3.49 6.14 -0.03 -3.79 117.35 117.50 2ww0 s TYR 660 Ca 0.12 1.00 -0.16 0.00 0.64 0.00 0.00 57.07 58.67 2ww0 s TYR 660 Cb -0.00 0.14 0.08 0.00 0.42 0.00 0.00 41.96 42.59 2ww0 s TYR 660 CO -0.01 -0.20 1.88 -0.35 0.64 0.00 0.00 175.55 177.51 2ww0 n PRO 661 N 2.91 3.13 -0.22 4.97 -0.04 -1.26 0.10 135.00 144.59 2ww0 n PRO 661 Ca -0.13 -3.13 0.02 0.00 -0.04 0.00 0.00 63.50 60.21 2ww0 n PRO 661 Cb 0.57 -3.36 0.13 0.00 -0.04 0.00 0.00 33.50 30.81 2ww0 n PRO 661 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ww0 h VAL 662 N 4.88 0.69 -3.08 0.52 2.07 -1.87 -3.33 116.25 116.12 2ww0 h VAL 662 Ca 0.47 -0.12 -0.62 0.00 0.82 0.00 0.00 66.70 67.25 2ww0 h VAL 662 Cb 0.78 0.30 -0.41 0.00 -1.52 0.00 0.00 31.29 30.44 2ww0 h VAL 662 CO 1.59 0.07 -0.63 0.00 0.02 0.00 0.00 177.57 178.61 2ww0 n PRO 664 N 2.38 1.80 0.00 0.00 -0.02 -1.25 -1.84 135.00 136.07 2ww0 n PRO 664 Ca 0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2ww0 n PRO 664 Cb 0.35 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2ww0 n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ww0 n GLY 665 N 0.88 2.71 4.01 -1.23 0.00 -1.26 -4.85 105.19 105.45 2ww0 n GLY 665 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2ww0 n GLY 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ww0 s THR 666 N -2.46 2.39 -0.35 2.61 -4.23 -0.76 -4.90 115.64 107.94 2ww0 s THR 666 Ca 0.00 -0.83 0.09 0.00 -1.18 0.00 0.00 61.69 59.77 2ww0 s THR 666 Cb 0.00 -2.57 0.74 0.00 1.34 0.00 0.00 72.50 72.01 2ww0 s THR 666 CO 0.00 0.00 1.82 -0.90 -0.54 0.00 0.00 174.62 175.00 2ww0 n ASP 667 N -2.36 4.72 -4.46 3.99 5.75 -1.26 -4.96 116.55 117.96 2ww0 n ASP 667 Ca 0.13 -3.25 -0.33 0.00 -0.01 0.00 0.00 54.79 51.32 2ww0 n ASP 667 Cb 0.60 -0.76 -0.13 0.00 -1.03 0.00 0.00 41.12 39.80 2ww0 n ASP 667 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2ww0 s GLU 668 N -2.99 2.80 -0.23 0.11 2.02 -1.26 0.18 118.70 119.32 2ww0 s GLU 668 Ca 0.55 -0.67 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 2ww0 s GLU 668 Cb 0.44 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 32.20 2ww0 s GLU 668 CO 0.13 0.51 -0.06 0.71 0.02 0.00 0.00 175.26 176.57 2ww0 s TYR 669 N -0.43 3.00 0.38 1.61 1.51 -0.19 -4.50 117.35 118.73 2ww0 s TYR 669 Ca 0.05 -1.34 -0.25 0.00 -1.01 0.00 0.00 57.07 54.52 2ww0 s TYR 669 Cb -0.12 -2.07 -0.09 0.00 -0.11 0.00 0.00 41.96 39.57 2ww0 s TYR 669 CO 0.02 -0.67 1.07 0.08 -1.11 0.00 0.00 175.55 174.94 2ww0 s VAL 670 N 1.38 3.60 -0.01 0.71 1.01 0.11 -1.22 120.40 125.99 2ww0 s VAL 670 Ca 0.03 1.29 -0.25 0.00 0.00 0.00 0.00 61.98 63.04 2ww0 s VAL 670 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2ww0 s VAL 670 CO -0.05 0.07 0.78 -0.32 0.00 0.00 0.00 175.10 175.58 2ww0 s MET 671 N -2.32 4.49 0.00 2.72 1.75 0.68 -0.85 119.30 125.76 2ww0 s MET 671 Ca 0.56 1.05 0.00 0.00 -1.25 0.00 0.00 55.69 56.05 2ww0 s MET 671 Cb -0.25 -3.41 0.00 0.00 2.84 0.00 0.00 34.83 34.01 2ww0 s MET 671 CO 0.31 0.14 0.00 0.41 -0.65 0.00 0.00 175.02 175.23 2ww0 n GLY 672 N 2.75 1.46 3.04 2.11 0.00 0.30 -4.92 105.19 109.93 2ww0 n GLY 672 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2ww0 n GLY 672 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ww0 s THR 673 N 3.07 -0.03 0.27 2.61 -1.32 -1.23 -4.74 115.64 114.27 2ww0 s THR 673 Ca 0.00 0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.30 2ww0 s THR 673 Cb 0.00 -0.34 -0.09 0.00 -1.51 0.00 0.00 72.50 70.56 2ww0 s THR 673 CO 0.00 0.05 1.09 -2.16 -2.21 0.00 0.00 174.62 171.39 2ww0 s PRO 674 N 0.98 4.65 0.17 7.08 0.04 -1.26 -4.31 135.00 142.35 2ww0 s PRO 674 Ca -0.07 1.77 0.18 0.00 0.04 0.00 0.00 61.00 62.92 2ww0 s PRO 674 Cb -0.08 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 2ww0 s PRO 674 CO -0.06 0.22 1.09 1.25 0.04 0.00 0.00 177.00 179.55 2ww0 h LEU 675 N 3.96 0.00 -9.83 -3.56 5.85 -0.96 -3.48 115.31 107.28 2ww0 h LEU 675 Ca -0.46 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.73 2ww0 h LEU 675 Cb 1.21 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 2ww0 h LEU 675 CO 0.67 0.40 -0.54 -0.36 -0.34 0.00 0.00 178.44 178.28 2ww0 s PHE 676 N -3.04 2.86 0.10 1.25 0.08 -1.26 -4.91 117.98 113.07 2ww0 s PHE 676 Ca 0.00 -0.25 0.17 0.00 0.12 0.00 0.00 56.93 56.97 2ww0 s PHE 676 Cb 0.08 -1.51 0.49 0.00 -0.57 0.00 0.00 43.02 41.51 2ww0 s PHE 676 CO 0.78 0.41 1.64 0.87 -0.10 0.00 0.00 175.22 178.83 2ww0 h LYS 677 N 1.53 0.00 -2.43 0.44 1.57 -1.27 -3.41 116.57 113.00 2ww0 h LYS 677 Ca -0.45 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.25 2ww0 h LYS 677 Cb 1.25 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.31 2ww0 h LYS 677 CO 0.61 0.44 -0.17 0.21 -0.57 0.00 0.00 179.45 179.97 2ww0 s LYS 678 N -3.43 0.52 0.03 3.15 2.20 -0.98 0.40 119.74 121.62 2ww0 s LYS 678 Ca 0.01 0.91 0.05 0.00 -0.36 0.00 0.00 55.97 56.58 2ww0 s LYS 678 Cb 0.10 0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 2ww0 s LYS 678 CO 0.71 -0.14 -0.16 0.00 -0.36 0.00 0.00 175.35 175.40 2ww0 s ALA 679 N 1.30 1.32 -0.07 3.13 0.00 -0.86 -0.71 121.76 125.88 2ww0 s ALA 679 Ca -0.08 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2ww0 s ALA 679 Cb -0.07 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2ww0 s ALA 679 CO -0.13 0.28 -0.11 0.99 0.00 0.00 0.00 175.76 176.79 2ww0 s THR 680 N -0.70 1.10 -0.12 0.00 2.01 0.85 -0.05 115.64 118.73 2ww0 s THR 680 Ca 0.04 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 2ww0 s THR 680 Cb -0.07 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 2ww0 s THR 680 CO 0.01 0.35 0.02 -0.76 -0.69 0.00 0.00 174.62 173.54 2ww0 s LEU 681 N 0.74 3.62 -0.33 4.42 1.43 0.48 -1.63 118.68 127.42 2ww0 s LEU 681 Ca -0.13 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2ww0 s LEU 681 Cb -0.16 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.27 2ww0 s LEU 681 CO 0.03 0.30 0.06 -1.00 0.23 0.00 0.00 176.35 175.96 2ww0 s HIS 682 N -0.39 3.38 0.50 0.29 3.76 0.06 -1.10 115.29 121.80 2ww0 s HIS 682 Ca 0.08 -2.08 -0.10 0.00 -0.15 0.00 0.00 55.06 52.81 2ww0 s HIS 682 Cb -0.12 -2.46 -0.05 0.00 1.11 0.00 0.00 32.58 31.06 2ww0 s HIS 682 CO 0.02 -0.86 0.87 -0.06 -0.85 0.00 0.00 174.74 173.86 2ww0 s PHE 683 N 1.20 3.54 0.58 1.40 0.08 -0.67 -4.82 117.98 119.29 2ww0 s PHE 683 Ca -0.01 1.09 0.38 0.00 0.12 0.00 0.00 56.93 58.51 2ww0 s PHE 683 Cb -0.20 -2.51 2.08 0.00 -0.57 0.00 0.00 43.02 41.82 2ww0 s PHE 683 CO -0.02 -0.34 2.28 0.93 -0.10 0.00 0.00 175.22 177.97 2ww0 h GLU 684 N 0.48 0.00 0.00 0.44 5.08 -1.87 -1.91 114.58 116.80 2ww0 h GLU 684 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2ww0 h GLU 684 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ww0 h GLU 684 CO 0.62 0.01 0.00 0.27 -1.00 0.00 0.00 179.01 178.92 2ww0 n ASN 685 N -3.36 0.00 0.00 1.42 2.04 -1.26 -4.88 115.26 109.22 2ww0 n ASN 685 Ca -0.03 -0.81 0.00 0.00 -0.44 0.00 0.00 54.58 53.30 2ww0 n ASN 685 Cb 0.11 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 2ww0 n ASN 685 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ww0 n GLY 686 N 0.63 2.48 3.91 4.83 0.00 -0.72 -5.06 105.19 111.26 2ww0 n GLY 686 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2ww0 n GLY 686 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ww0 s ASN 687 N -1.30 5.68 0.09 1.61 0.01 -1.26 -4.89 114.94 114.88 2ww0 s ASN 687 Ca 0.00 0.80 0.06 0.00 -0.71 0.00 0.00 52.86 53.01 2ww0 s ASN 687 Cb 0.00 -1.82 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 2ww0 s ASN 687 CO 0.00 -1.02 -0.16 -0.44 -1.51 0.00 0.00 177.10 173.97 2ww0 s SER 688 N -4.28 1.99 -0.11 -1.22 0.01 -1.26 -1.67 113.70 107.16 2ww0 s SER 688 Ca 0.53 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2ww0 s SER 688 Cb -0.11 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.06 2ww0 s SER 688 CO 0.46 -0.05 -0.11 -0.22 0.41 0.00 0.00 173.24 173.73 2ww0 s LEU 689 N -1.92 1.49 -0.20 2.44 1.98 -0.26 -0.88 118.68 121.34 2ww0 s LEU 689 Ca 0.02 -0.36 -0.07 0.00 -2.89 0.00 0.00 54.13 50.84 2ww0 s LEU 689 Cb -0.09 -0.95 -0.04 0.00 0.66 0.00 0.00 46.19 45.78 2ww0 s LEU 689 CO 0.03 -0.04 0.05 -0.69 -1.89 0.00 0.00 176.35 173.80 2ww0 s VAL 690 N 1.27 4.49 -0.46 1.68 1.01 0.03 -0.38 120.40 128.04 2ww0 s VAL 690 Ca -0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2ww0 s VAL 690 Cb -0.14 -3.03 0.11 0.00 0.00 0.00 0.00 36.38 33.32 2ww0 s VAL 690 CO -0.04 0.43 0.32 -0.63 0.00 0.00 0.00 175.10 175.18 2ww0 s ILE 691 N 0.71 4.16 -0.32 2.22 1.01 0.93 0.08 121.20 129.99 2ww0 s ILE 691 Ca 0.02 -1.71 -0.19 0.00 0.00 0.00 0.00 60.65 58.76 2ww0 s ILE 691 Cb -0.14 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2ww0 s ILE 691 CO 0.02 -0.71 0.58 -1.81 0.00 0.00 0.00 174.94 173.03 2ww0 s ASP 692 N 2.50 6.42 -0.49 3.58 -0.00 0.97 -2.02 116.67 127.63 2ww0 s ASP 692 Ca 0.05 0.27 0.08 0.00 -0.00 0.00 0.00 52.55 52.95 2ww0 s ASP 692 Cb -0.25 -2.31 0.31 0.00 -0.00 0.00 0.00 42.92 40.67 2ww0 s ASP 692 CO -0.00 -0.47 0.76 0.00 -0.00 0.00 0.00 175.17 175.46 2ww0 n ALA 693 N 5.83 3.28 -0.04 5.23 0.00 0.16 -0.18 120.51 134.79 2ww0 n ALA 693 Ca -0.02 -4.05 0.23 0.00 0.00 0.00 0.00 53.44 49.60 2ww0 n ALA 693 Cb 0.49 -0.84 0.72 0.00 0.00 0.00 0.00 19.45 19.82 2ww0 n ALA 693 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ww0 h PRO 694 N 3.38 0.00 -0.62 0.00 0.13 -1.76 -0.72 132.00 132.40 2ww0 h PRO 694 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2ww0 h PRO 694 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2ww0 h PRO 694 CO 0.65 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.71 2ww0 n ASN 695 N -4.15 3.59 -4.76 1.44 4.05 -1.26 -4.96 115.26 109.21 2ww0 n ASN 695 Ca 0.12 -2.14 -0.38 0.00 0.45 0.00 0.00 54.58 52.63 2ww0 n ASN 695 Cb 0.74 -0.46 0.02 0.00 1.23 0.00 0.00 39.78 41.31 2ww0 n ASN 695 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2ww0 s ASN 696 N -0.93 5.73 0.38 1.20 3.84 -0.28 -4.72 114.94 120.16 2ww0 s ASN 696 Ca 0.42 2.62 -0.16 0.00 0.21 0.00 0.00 52.86 55.95 2ww0 s ASN 696 Cb 0.24 -2.63 0.06 0.00 -0.55 0.00 0.00 41.25 38.37 2ww0 s ASN 696 CO 0.25 -1.25 0.79 -0.94 -2.79 0.00 0.00 177.10 173.17 2ww0 s SER 697 N -1.02 0.01 0.41 -4.21 1.04 -1.24 -4.91 113.70 103.78 2ww0 s SER 697 Ca 0.66 -1.15 0.13 0.00 0.48 0.00 0.00 55.95 56.07 2ww0 s SER 697 Cb -0.37 0.85 0.87 0.00 0.10 0.00 0.00 66.02 67.48 2ww0 s SER 697 CO 0.44 -1.69 1.93 0.74 0.98 0.00 0.00 173.24 175.64 2ww0 h THR 698 N 2.00 1.18 0.14 2.02 2.02 -1.97 -3.17 112.91 115.12 2ww0 h THR 698 Ca -0.32 -0.84 -0.34 0.00 0.77 0.00 0.00 66.41 65.68 2ww0 h THR 698 Cb 1.25 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 2ww0 h THR 698 CO 0.41 0.24 -1.77 -0.33 0.37 0.00 0.00 175.52 174.44 2ww0 h GLU 699 N 0.06 0.30 -4.09 6.66 3.07 -1.96 -3.42 114.58 115.19 2ww0 h GLU 699 Ca 0.01 -0.51 -0.76 0.00 -0.50 0.00 0.00 59.36 57.61 2ww0 h GLU 699 Cb 0.43 0.19 -0.19 0.00 -0.84 0.00 0.00 28.75 28.34 2ww0 h GLU 699 CO 0.03 1.18 1.45 0.09 -1.40 0.00 0.00 179.01 180.37 2ww0 n ASN 700 N -3.49 5.30 -0.62 1.42 5.03 -1.20 -4.29 115.26 117.41 2ww0 n ASN 700 Ca -0.24 -3.06 0.06 0.00 0.87 0.00 0.00 54.58 52.21 2ww0 n ASN 700 Cb 1.06 -1.50 0.13 0.00 -1.02 0.00 0.00 39.78 38.45 2ww0 n ASN 700 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2ww0 n PHE 701 N 4.45 0.34 -3.62 3.10 1.16 -0.99 -3.72 117.46 118.19 2ww0 n PHE 701 Ca 0.36 -0.34 -0.35 0.00 -1.87 0.00 0.00 57.45 55.24 2ww0 n PHE 701 Cb 0.39 -0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 2ww0 n PHE 701 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 2ww0 s TYR 702 N -1.00 3.61 -0.30 2.97 2.02 -0.06 -4.71 117.35 119.89 2ww0 s TYR 702 Ca 0.21 0.76 -0.19 0.00 -0.37 0.00 0.00 57.07 57.49 2ww0 s TYR 702 Cb 0.12 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2ww0 s TYR 702 CO 0.16 0.58 0.57 0.42 -1.57 0.00 0.00 175.55 175.71 2ww0 s ILE 703 N -1.30 5.00 -0.14 2.71 1.01 -1.26 -0.18 121.20 127.04 2ww0 s ILE 703 Ca 0.29 0.78 -0.14 0.00 0.00 0.00 0.00 60.65 61.59 2ww0 s ILE 703 Cb -0.14 -3.93 -0.24 0.00 0.01 0.00 0.00 42.46 38.16 2ww0 s ILE 703 CO 0.16 -0.07 0.37 -0.78 0.00 0.00 0.00 174.94 174.63 2ww0 h ASP 704 N 8.17 0.28 -5.12 3.58 3.58 -1.27 -3.41 116.42 122.22 2ww0 h ASP 704 Ca -0.28 -0.79 -0.06 0.00 0.42 0.00 0.00 57.03 56.32 2ww0 h ASP 704 Cb 1.13 -0.09 -0.12 0.00 1.72 0.00 0.00 39.33 41.96 2ww0 h ASP 704 CO 0.76 1.68 -0.13 -0.94 -2.88 0.00 0.00 179.24 177.73 2ww0 s SER 705 N -6.99 -0.14 -0.09 2.28 1.04 -1.23 -4.89 113.70 103.69 2ww0 s SER 705 Ca -0.24 -0.50 -0.07 0.00 0.48 0.00 0.00 55.95 55.62 2ww0 s SER 705 Cb 0.06 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2ww0 s SER 705 CO 0.71 -0.89 0.24 -0.32 0.98 0.00 0.00 173.24 173.96 2ww0 s MET 706 N -3.86 0.26 0.00 4.02 1.75 -1.26 -1.49 119.30 118.73 2ww0 s MET 706 Ca 0.07 0.38 0.03 0.00 -1.25 0.00 0.00 55.69 54.92 2ww0 s MET 706 Cb 0.02 0.07 -0.01 0.00 2.84 0.00 0.00 34.83 37.75 2ww0 s MET 706 CO -0.08 -0.07 -0.08 -1.54 -0.65 0.00 0.00 175.02 172.61 2ww0 s SER 707 N 0.41 0.94 -0.32 1.11 1.04 -0.35 0.73 113.70 117.26 2ww0 s SER 707 Ca -0.02 -0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 2ww0 s SER 707 Cb -0.04 -0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.07 2ww0 s SER 707 CO -0.02 0.05 0.03 0.12 0.98 0.00 0.00 173.24 174.40 2ww0 s PHE 708 N -0.38 3.41 -1.47 5.02 2.19 0.14 -0.64 117.98 126.25 2ww0 s PHE 708 Ca 0.01 -2.24 -0.11 0.00 0.33 0.00 0.00 56.93 54.92 2ww0 s PHE 708 Cb -0.04 -2.44 0.06 0.00 -1.31 0.00 0.00 43.02 39.29 2ww0 s PHE 708 CO -0.00 -0.87 0.94 0.09 1.83 0.00 0.00 175.22 177.20 2ww0 n ASN 709 N 4.52 -4.15 0.00 6.13 5.03 0.42 -2.13 115.26 125.09 2ww0 n ASN 709 Ca -0.08 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.60 2ww0 n ASN 709 Cb 0.42 -4.00 0.00 0.00 -1.02 0.00 0.00 39.78 35.18 2ww0 n ASN 709 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ww0 n GLY 710 N -1.69 2.89 3.77 7.41 0.00 -1.26 -5.01 105.19 111.29 2ww0 n GLY 710 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2ww0 n GLY 710 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ww0 s ALA 711 N -1.79 3.30 0.25 4.61 0.00 -0.90 -5.01 121.76 122.21 2ww0 s ALA 711 Ca 0.00 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 2ww0 s ALA 711 Cb 0.00 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2ww0 s ALA 711 CO 0.00 -0.25 1.18 0.34 0.00 0.00 0.00 175.76 177.03 2ww0 s ASP 712 N -1.05 7.10 -0.37 0.00 2.15 -1.26 0.24 116.67 123.48 2ww0 s ASP 712 Ca 0.50 2.32 0.02 0.00 0.43 0.00 0.00 52.55 55.81 2ww0 s ASP 712 Cb -0.30 -2.62 0.11 0.00 -0.30 0.00 0.00 42.92 39.81 2ww0 s ASP 712 CO 0.38 -0.31 0.13 -2.28 -0.17 0.00 0.00 175.17 172.93 2ww0 s HIS 713 N -0.66 2.40 -1.62 -5.34 5.65 0.22 -4.79 115.29 111.16 2ww0 s HIS 713 Ca 0.49 -2.34 0.24 0.00 0.25 0.00 0.00 55.06 53.70 2ww0 s HIS 713 Cb -0.34 -2.15 0.29 0.00 -1.18 0.00 0.00 32.58 29.20 2ww0 s HIS 713 CO 0.41 -0.86 1.27 0.25 -0.65 0.00 0.00 174.74 175.15 2ww0 n THR 714 N 4.23 0.00 -1.66 0.89 -2.24 -1.26 -4.18 114.28 110.05 2ww0 n THR 714 Ca 0.03 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 2ww0 n THR 714 Cb 0.39 0.78 0.06 0.00 -2.10 0.00 0.00 70.33 69.47 2ww0 n THR 714 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww0 s LYS 715 N -2.65 2.53 -0.20 -0.78 1.02 -1.26 -3.62 119.74 114.79 2ww0 s LYS 715 Ca 0.18 1.64 0.09 0.00 0.02 0.00 0.00 55.97 57.89 2ww0 s LYS 715 Cb 0.18 -1.89 0.57 0.00 -0.52 0.00 0.00 37.83 36.17 2ww0 s LYS 715 CO 0.62 -1.51 1.44 0.09 -0.92 0.00 0.00 175.35 175.08 2ww0 n ASN 716 N -2.39 4.28 -3.55 2.83 5.03 -0.34 -4.93 115.26 116.18 2ww0 n ASN 716 Ca 0.12 -2.75 -0.12 0.00 0.87 0.00 0.00 54.58 52.71 2ww0 n ASN 716 Cb 0.51 -0.65 -0.04 0.00 -1.02 0.00 0.00 39.78 38.58 2ww0 n ASN 716 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ww0 s TYR 717 N -2.29 -0.35 0.16 3.10 1.13 -1.26 -0.23 117.35 117.61 2ww0 s TYR 717 Ca 0.40 0.13 0.10 0.00 -1.41 0.00 0.00 57.07 56.29 2ww0 s TYR 717 Cb 0.31 0.37 -0.04 0.00 -1.10 0.00 0.00 41.96 41.50 2ww0 s TYR 717 CO 0.11 -0.74 -0.16 -0.51 -2.51 0.00 0.00 175.55 171.74 2ww0 s LEU 718 N -2.64 2.73 -0.09 -3.49 1.43 -0.35 -4.94 118.68 111.32 2ww0 s LEU 718 Ca 0.01 -0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 52.43 2ww0 s LEU 718 Cb 0.00 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 2ww0 s LEU 718 CO -0.11 0.13 -0.01 -0.13 0.23 0.00 0.00 176.35 176.46 2ww0 s ARG 719 N -2.57 3.06 0.21 1.70 0.52 -1.26 -1.03 118.95 119.58 2ww0 s ARG 719 Ca 0.21 -0.44 -0.16 0.00 -0.52 0.00 0.00 55.73 54.82 2ww0 s ARG 719 Cb -0.09 -2.78 0.21 0.00 0.52 0.00 0.00 34.95 32.80 2ww0 s ARG 719 CO 0.12 0.63 1.61 1.25 0.02 0.00 0.00 175.30 178.92 2ww0 h HIS 720 N 5.41 -0.57 -0.71 -0.53 -0.00 -0.65 -0.47 115.15 117.63 2ww0 h HIS 720 Ca -0.48 0.06 -0.02 0.00 -0.00 0.00 0.00 60.37 59.94 2ww0 h HIS 720 Cb 1.19 0.35 -0.03 0.00 -0.00 0.00 0.00 27.41 28.91 2ww0 h HIS 720 CO 0.60 -0.33 0.38 0.93 -0.00 0.00 0.00 177.93 179.52 2ww0 h GLU 721 N -0.07 0.99 -0.27 5.26 3.07 -1.96 -1.48 114.58 120.12 2ww0 h GLU 721 Ca 0.29 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2ww0 h GLU 721 Cb 0.52 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 2ww0 h GLU 721 CO -0.69 0.73 0.00 -0.44 -1.40 0.00 0.00 179.01 177.22 2ww0 h ASP 722 N 0.99 0.47 -0.26 1.42 3.32 -1.54 -2.57 116.42 118.26 2ww0 h ASP 722 Ca 0.25 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 2ww0 h ASP 722 Cb 0.04 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2ww0 h ASP 722 CO -0.04 0.66 0.16 -0.07 -1.72 0.00 0.00 179.24 178.23 2ww0 h LEU 723 N 0.27 0.30 -2.23 1.55 3.38 -0.78 -2.36 115.31 115.44 2ww0 h LEU 723 Ca 0.08 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2ww0 h LEU 723 Cb 0.42 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2ww0 h LEU 723 CO 0.01 0.25 0.13 -0.26 0.09 0.00 0.00 178.44 178.67 2ww0 h PHE 724 N 0.33 0.00 0.00 1.13 -1.00 -1.19 0.17 116.94 116.38 2ww0 h PHE 724 Ca 0.09 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 2ww0 h PHE 724 Cb 0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 2ww0 h PHE 724 CO -0.05 0.00 -0.00 0.87 -1.61 0.00 0.00 178.31 177.52 2ww0 h LYS 725 N 0.00 0.00 0.00 1.51 1.57 -1.00 -3.44 116.57 115.21 2ww0 h LYS 725 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2ww0 h LYS 725 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2ww0 h LYS 725 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2ww0 n GLY 726 N -0.21 -1.68 0.00 3.86 0.00 0.59 -4.86 105.19 102.89 2ww0 n GLY 726 Ca -0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2ww0 n GLY 726 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ww0 n GLY 727 N 0.00 0.28 3.18 -0.02 0.00 -0.06 -4.92 105.19 103.65 2ww0 n GLY 727 Ca 0.00 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 2ww0 n GLY 727 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ww0 s THR 728 N 0.00 1.50 -0.14 2.61 2.01 -1.26 -0.79 115.64 119.57 2ww0 s THR 728 Ca 0.00 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.21 2ww0 s THR 728 Cb 0.00 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 2ww0 s THR 728 CO 0.00 0.42 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.58 2ww0 s ILE 729 N -0.31 2.84 -0.15 1.82 1.01 0.11 -0.44 121.20 126.09 2ww0 s ILE 729 Ca 0.04 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 2ww0 s ILE 729 Cb -0.09 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2ww0 s ILE 729 CO 0.00 0.52 0.01 -0.54 0.00 0.00 0.00 174.94 174.93 2ww0 s LYS 730 N 0.51 3.65 -0.19 2.79 1.02 0.19 -0.02 119.74 127.68 2ww0 s LYS 730 Ca -0.10 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2ww0 s LYS 730 Cb -0.16 -3.01 0.04 0.00 -0.52 0.00 0.00 37.83 34.19 2ww0 s LYS 730 CO 0.04 0.35 -0.08 0.08 -0.92 0.00 0.00 175.35 174.82 2ww0 s VAL 731 N 0.10 1.50 -0.53 3.17 1.01 0.74 -1.21 120.40 125.19 2ww0 s VAL 731 Ca 0.02 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 2ww0 s VAL 731 Cb -0.13 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.67 2ww0 s VAL 731 CO 0.02 0.13 0.91 -0.62 0.00 0.00 0.00 175.10 175.53 2ww0 s ASP 732 N 1.45 6.36 0.37 3.32 2.15 -0.55 -4.29 116.67 125.47 2ww0 s ASP 732 Ca -0.01 -0.30 -0.19 0.00 0.43 0.00 0.00 52.55 52.47 2ww0 s ASP 732 Cb -0.16 -2.42 -0.10 0.00 -0.30 0.00 0.00 42.92 39.93 2ww0 s ASP 732 CO -0.08 -1.16 0.85 -0.04 -0.17 0.00 0.00 175.17 174.58 2ww0 s MET 733 N 3.79 4.18 0.13 4.34 -1.94 -1.26 -0.78 119.30 127.76 2ww0 s MET 733 Ca 0.30 0.96 -0.05 0.00 -1.71 0.00 0.00 55.69 55.19 2ww0 s MET 733 Cb -0.13 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.31 2ww0 s MET 733 CO 0.20 0.10 0.14 0.45 -0.01 0.00 0.00 175.02 175.90 2ww0 s SER 734 N -2.13 0.21 0.00 3.03 0.15 0.75 -4.82 113.70 110.89 2ww0 s SER 734 Ca 0.57 -1.02 0.24 0.00 0.70 0.00 0.00 55.95 56.45 2ww0 s SER 734 Cb -0.11 0.34 0.39 0.00 -1.71 0.00 0.00 66.02 64.94 2ww0 s SER 734 CO 0.16 -0.78 1.37 -0.46 1.20 0.00 0.00 173.24 174.74 2ww0 n ASN 735 N -0.12 2.78 -4.21 5.45 6.94 -1.26 -0.88 115.26 123.96 2ww0 n ASN 735 Ca -0.08 -1.91 -0.26 0.00 -0.02 0.00 0.00 54.58 52.31 2ww0 n ASN 735 Cb 0.63 -0.05 -0.15 0.00 -2.36 0.00 0.00 39.78 37.85 2ww0 n ASN 735 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ww0 s ARG 736 N -1.91 1.57 0.54 -3.83 1.70 -1.26 -4.93 118.95 110.83 2ww0 s ARG 736 Ca 0.32 -0.75 -0.20 0.00 -0.47 0.00 0.00 55.73 54.63 2ww0 s ARG 736 Cb 0.21 -1.54 -0.06 0.00 -0.57 0.00 0.00 34.95 32.99 2ww0 s ARG 736 CO 0.31 0.42 1.15 -1.25 -1.08 0.00 0.00 175.30 174.85 2ww0 s PRO 737 N -0.59 3.33 -0.45 3.89 0.04 -1.26 -4.83 135.00 135.13 2ww0 s PRO 737 Ca 0.08 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 2ww0 s PRO 737 Cb -0.08 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.50 2ww0 s PRO 737 CO -0.00 -0.89 0.32 1.21 0.04 0.00 0.00 177.00 177.68 2ww0 s ASN 738 N -1.67 5.81 0.00 6.66 3.84 -1.26 -4.95 114.94 123.37 2ww0 s ASN 738 Ca 0.73 -1.55 0.15 0.00 0.21 0.00 0.00 52.86 52.40 2ww0 s ASN 738 Cb -0.26 -2.06 0.80 0.00 -0.55 0.00 0.00 41.25 39.19 2ww0 s ASN 738 CO 0.29 -0.61 1.38 0.18 -2.79 0.00 0.00 177.10 175.55 2ww0 n LEU 739 N 5.01 0.00 -0.00 3.21 4.32 -1.26 -3.15 117.00 125.13 2ww0 n LEU 739 Ca -0.11 0.18 0.05 0.00 -0.02 0.00 0.00 56.01 56.12 2ww0 n LEU 739 Cb 0.43 -0.18 -0.08 0.00 -1.62 0.00 0.00 43.42 41.96 2ww0 n LEU 739 CO 0.43 -0.09 -0.54 0.59 -1.22 0.00 0.00 177.39 176.55 2ww0 n ASN 740 N -1.18 2.17 -4.74 -1.43 3.02 -1.26 -4.91 115.26 106.92 2ww0 n ASN 740 Ca 0.09 -0.12 -0.40 0.00 -0.03 0.00 0.00 54.58 54.12 2ww0 n ASN 740 Cb 0.09 1.43 -0.05 0.00 -0.61 0.00 0.00 39.78 40.64 2ww0 n ASN 740 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2ww0 s ARG 741 N -2.65 4.63 -0.80 3.52 3.52 -1.19 -3.97 118.95 122.01 2ww0 s ARG 741 Ca -0.03 1.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.87 2ww0 s ARG 741 Cb 0.07 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2ww0 s ARG 741 CO 0.46 0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.65 2ww0 n GLY 742 N 2.19 0.28 0.01 8.12 0.00 -1.24 -4.73 105.19 109.82 2ww0 n GLY 742 Ca -0.00 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.54 2ww0 n GLY 742 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ww0 n THR 743 N -3.68 0.05 -1.83 2.61 -2.24 -1.25 -4.55 114.28 103.37 2ww0 n THR 743 Ca -0.10 -0.39 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 2ww0 n THR 743 Cb 0.50 0.09 0.04 0.00 -2.10 0.00 0.00 70.33 68.86 2ww0 n THR 743 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2ww0 s LYS 744 N -3.13 3.13 0.32 -0.78 1.02 -1.26 -4.85 119.74 114.19 2ww0 s LYS 744 Ca -0.06 2.16 0.01 0.00 0.02 0.00 0.00 55.97 58.10 2ww0 s LYS 744 Cb 0.10 -2.22 0.55 0.00 -0.52 0.00 0.00 37.83 35.75 2ww0 s LYS 744 CO 0.69 -1.17 1.92 1.49 -0.92 0.00 0.00 175.35 177.36 2ww0 h GLU 745 N 1.40 0.77 0.00 1.68 4.22 -2.00 -1.21 114.58 119.44 2ww0 h GLU 745 Ca -0.51 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 58.83 2ww0 h GLU 745 Cb 1.30 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ww0 h GLU 745 CO 0.57 0.62 0.00 -0.85 -2.18 0.00 0.00 179.01 177.17 2ww0 n GLU 746 N -4.35 0.47 0.05 1.92 0.00 -1.26 -2.22 120.64 115.25 2ww0 n GLU 746 Ca 0.04 0.04 0.13 0.00 0.00 0.00 0.00 57.16 57.37 2ww0 n GLU 746 Cb 0.15 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 30.41 2ww0 n GLU 746 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2ww0 n ASP 747 N -1.20 0.57 -4.78 -1.84 8.00 -0.46 -4.91 116.55 111.93 2ww0 n ASP 747 Ca 0.13 0.25 -0.36 0.00 0.71 0.00 0.00 54.79 55.52 2ww0 n ASP 747 Cb 0.16 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 2ww0 n ASP 747 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2ww0 s MET 748 N -3.09 3.85 1.04 -1.24 -1.94 -0.94 -1.20 119.30 115.77 2ww0 s MET 748 Ca 0.10 1.57 -0.16 0.00 -1.71 0.00 0.00 55.69 55.49 2ww0 s MET 748 Cb 0.15 -2.33 0.21 0.00 2.01 0.00 0.00 34.83 34.87 2ww0 s MET 748 CO 0.65 -0.43 1.17 -2.14 -0.01 0.00 0.00 175.02 174.26 2ww0 s PRO 749 N -2.83 0.10 0.29 2.03 0.02 -1.26 -4.88 135.00 128.46 2ww0 s PRO 749 Ca 0.64 -0.01 -0.30 0.00 0.02 0.00 0.00 61.00 61.35 2ww0 s PRO 749 Cb -0.23 -1.75 -0.12 0.00 0.02 0.00 0.00 34.50 32.42 2ww0 s PRO 749 CO 0.28 -2.84 1.49 0.98 -0.33 0.00 0.00 177.00 176.58 2ww0 n TYR 750 N -4.16 2.56 -4.13 6.54 9.36 -1.26 -5.03 117.16 121.05 2ww0 n TYR 750 Ca 0.11 0.36 -0.16 0.00 3.32 0.00 0.00 57.90 61.53 2ww0 n TYR 750 Cb 0.59 -2.53 -0.15 0.00 -0.63 0.00 0.00 39.34 36.63 2ww0 n TYR 750 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2ww0 s SER 751 N 0.29 0.61 0.22 2.98 0.01 -1.26 -4.67 113.70 111.89 2ww0 s SER 751 Ca 0.64 -0.09 -0.08 0.00 1.31 0.00 0.00 55.95 57.73 2ww0 s SER 751 Cb -0.56 -0.12 0.27 0.00 0.21 0.00 0.00 66.02 65.82 2ww0 s SER 751 CO 0.51 0.03 1.83 0.15 0.41 0.00 0.00 173.24 176.17 2ww0 h PHE 752 N 6.27 0.80 -0.92 2.43 3.57 -0.67 -2.40 116.94 126.02 2ww0 h PHE 752 Ca -0.30 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.31 2ww0 h PHE 752 Cb 1.18 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.61 2ww0 h PHE 752 CO 0.43 0.40 0.59 0.77 -2.23 0.00 0.00 178.31 178.26 2ww0 h SER 753 N 0.80 0.87 -1.31 0.41 0.02 -1.92 -3.35 113.55 109.06 2ww0 h SER 753 Ca 0.32 0.02 -0.64 0.00 -0.84 0.00 0.00 61.79 60.65 2ww0 h SER 753 Cb 0.17 -0.16 -0.11 0.00 0.14 0.00 0.00 62.40 62.44 2ww0 h SER 753 CO -0.17 0.53 1.54 -0.54 -1.14 0.00 0.00 176.83 177.04 2ww0 s LYS 754 N -5.87 3.70 0.00 3.45 1.02 -0.91 -5.07 119.74 116.07 2ww0 s LYS 754 Ca -0.11 -1.48 0.00 0.00 0.02 0.00 0.00 55.97 54.39 2ww0 s LYS 754 Cb 0.21 -5.31 0.00 0.00 -0.52 0.00 0.00 37.83 32.20 2ww0 s LYS 754 CO 0.80 -2.13 0.00 -0.85 -0.92 0.00 0.00 175.35 172.25