#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waj s LYS 2 N 0.00 4.33 1.47 2.12 1.02 -1.26 -4.14 119.74 123.27 1waj s LYS 2 Ca 0.00 1.93 -0.24 0.00 0.02 0.00 0.00 55.97 57.68 1waj s LYS 2 Cb 0.00 -3.45 0.38 0.00 -0.52 0.00 0.00 37.83 34.24 1waj s LYS 2 CO 0.00 -0.47 0.90 -1.83 -0.92 0.00 0.00 175.35 173.03 1waj s GLU 3 N 1.84 -3.29 -0.08 1.68 1.03 -1.26 -4.94 118.70 113.68 1waj s GLU 3 Ca 0.62 0.09 -0.30 0.00 0.03 0.00 0.00 54.97 55.42 1waj s GLU 3 Cb -0.32 -1.34 0.10 0.00 -0.80 0.00 0.00 34.13 31.77 1waj s GLU 3 CO 0.27 -5.10 0.82 -0.59 -1.33 0.00 0.00 175.26 169.33 1waj s PHE 4 N -2.19 -0.51 0.96 4.83 -0.71 -1.16 -5.04 117.98 114.16 1waj s PHE 4 Ca 0.68 0.80 -0.15 0.00 -1.04 0.00 0.00 56.93 57.23 1waj s PHE 4 Cb -0.12 0.45 0.18 0.00 -1.21 0.00 0.00 43.02 42.31 1waj s PHE 4 CO 0.57 -0.51 1.20 1.52 -1.34 0.00 0.00 175.22 176.66 1waj s TYR 5 N -1.49 1.92 0.06 3.49 1.13 -1.26 -1.10 117.35 120.11 1waj s TYR 5 Ca -0.05 0.59 0.00 0.00 -1.41 0.00 0.00 57.07 56.20 1waj s TYR 5 Cb -0.00 -3.67 0.00 0.00 -1.10 0.00 0.00 41.96 37.19 1waj s TYR 5 CO 0.04 -2.63 0.00 1.28 -2.51 0.00 0.00 175.55 171.73 1waj n LEU 6 N -3.87 0.26 -3.82 -3.49 7.99 0.14 -4.70 117.00 109.52 1waj n LEU 6 Ca 0.11 0.09 -0.10 0.00 -0.01 0.00 0.00 56.01 56.10 1waj n LEU 6 Cb 0.60 -0.04 -0.08 0.00 -0.11 0.00 0.00 43.42 43.79 1waj n LEU 6 CO 0.51 -0.37 -0.06 0.42 -1.51 0.00 0.00 177.39 176.38 1waj s THR 7 N -2.00 0.11 0.14 -5.08 -4.23 -0.65 -4.84 115.64 99.09 1waj s THR 7 Ca 0.00 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1waj s THR 7 Cb 0.00 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1waj s THR 7 CO 0.00 -0.50 -0.03 0.68 -0.54 0.00 0.00 174.62 174.23 1waj s VAL 8 N -2.94 0.67 -0.25 2.29 -7.23 -1.26 -1.87 120.40 109.81 1waj s VAL 8 Ca -0.02 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 57.92 1waj s VAL 8 Cb 0.01 -1.93 0.15 0.00 0.56 0.00 0.00 36.38 35.16 1waj s VAL 8 CO -0.06 -0.64 1.14 -0.70 -0.31 0.00 0.00 175.10 174.53 1waj s GLU 9 N -3.88 0.39 -0.28 4.82 2.56 -0.72 -4.81 118.70 116.77 1waj s GLU 9 Ca 0.19 0.29 -0.07 0.00 0.00 0.00 0.00 54.97 55.37 1waj s GLU 9 Cb 0.06 0.19 -0.00 0.00 2.00 0.00 0.00 34.13 36.37 1waj s GLU 9 CO 0.00 -0.08 0.09 -1.14 -0.56 0.00 0.00 175.26 173.56 1waj s GLN 10 N -0.37 3.28 -0.16 4.30 0.74 -1.26 -1.07 119.66 125.11 1waj s GLN 10 Ca 0.03 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.71 1waj s GLN 10 Cb -0.03 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.72 1waj s GLN 10 CO -0.06 -0.37 -0.16 0.42 -0.55 0.00 0.00 175.29 174.57 1waj s ILE 11 N 1.55 1.74 0.00 -2.34 1.09 -0.47 -5.02 121.20 117.75 1waj s ILE 11 Ca 0.04 -0.74 0.00 0.00 -1.10 0.00 0.00 60.65 58.85 1waj s ILE 11 Cb -0.17 -1.61 0.00 0.00 -1.06 0.00 0.00 42.46 39.63 1waj s ILE 11 CO 0.03 0.49 0.00 0.61 -0.10 0.00 0.00 174.94 175.97 1waj n GLY 12 N 4.72 3.31 1.76 6.18 0.00 -1.26 -1.71 105.19 118.20 1waj n GLY 12 Ca -0.18 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.59 1waj n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1waj n ASP 13 N 3.25 4.26 -4.00 1.61 8.00 -1.26 -4.81 116.55 123.59 1waj n ASP 13 Ca 0.00 -2.97 -0.11 0.00 0.71 0.00 0.00 54.79 52.42 1waj n ASP 13 Cb 0.00 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.28 1waj n ASP 13 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1waj s SER 14 N -0.70 0.50 -0.05 -2.24 1.04 -0.69 -4.08 113.70 107.48 1waj s SER 14 Ca 0.44 -0.44 -0.15 0.00 0.48 0.00 0.00 55.95 56.27 1waj s SER 14 Cb 0.35 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1waj s SER 14 CO 0.11 -0.20 0.40 -0.63 0.98 0.00 0.00 173.24 173.90 1waj s ILE 15 N -1.19 5.11 -0.20 -1.02 -1.09 0.95 -1.37 121.20 122.39 1waj s ILE 15 Ca -0.11 0.81 0.01 0.00 -2.23 0.00 0.00 60.65 59.14 1waj s ILE 15 Cb -0.08 -3.72 0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1waj s ILE 15 CO -0.00 0.50 -0.17 -0.36 -1.23 0.00 0.00 174.94 173.68 1waj s PHE 16 N -0.49 2.92 -0.03 3.97 0.08 -0.23 -0.89 117.98 123.31 1waj s PHE 16 Ca 0.23 -1.81 0.00 0.00 0.12 0.00 0.00 56.93 55.48 1waj s PHE 16 Cb -0.16 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1waj s PHE 16 CO 0.11 -0.82 0.01 -1.83 -0.10 0.00 0.00 175.22 172.59 1waj s GLU 17 N 1.25 0.17 -0.20 0.44 -1.05 -0.86 -1.76 118.70 116.69 1waj s GLU 17 Ca 0.01 0.13 -0.16 0.00 -0.15 0.00 0.00 54.97 54.81 1waj s GLU 17 Cb -0.15 -0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 33.09 1waj s GLU 17 CO -0.11 -0.16 0.40 1.03 0.95 0.00 0.00 175.26 177.37 1waj s ARG 18 N 1.11 4.18 0.14 -4.83 0.52 -0.78 -1.43 118.95 117.87 1waj s ARG 18 Ca -0.09 0.21 -0.08 0.00 -0.52 0.00 0.00 55.73 55.26 1waj s ARG 18 Cb -0.13 -3.53 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 1waj s ARG 18 CO -0.02 -0.03 0.23 1.52 0.02 0.00 0.00 175.30 177.02 1waj s TYR 19 N 1.27 0.40 -0.10 -0.53 1.13 -0.29 0.29 117.35 119.52 1waj s TYR 19 Ca 0.19 -0.79 -0.15 0.00 -1.41 0.00 0.00 57.07 54.92 1waj s TYR 19 Cb -0.15 -0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.55 1waj s TYR 19 CO 0.08 -0.65 0.36 0.42 -2.51 0.00 0.00 175.55 173.25 1waj s ILE 20 N -3.95 5.21 0.72 -3.49 -1.09 -0.26 -0.03 121.20 118.31 1waj s ILE 20 Ca 0.15 0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 59.23 1waj s ILE 20 Cb 0.04 -3.68 0.15 0.00 -1.58 0.00 0.00 42.46 37.39 1waj s ILE 20 CO -0.03 0.45 0.99 -0.90 -1.23 0.00 0.00 174.94 174.22 1waj n ASP 21 N 2.97 0.84 -0.30 3.58 5.75 -0.60 -3.01 116.55 125.77 1waj n ASP 21 Ca -0.12 -1.82 0.07 0.00 -0.01 0.00 0.00 54.79 52.91 1waj n ASP 21 Cb 0.52 -0.69 0.17 0.00 -1.03 0.00 0.00 41.12 40.10 1waj n ASP 21 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1waj h SER 22 N -0.87 -0.61 -2.69 -1.12 0.02 -1.92 -2.38 113.55 103.99 1waj h SER 22 Ca -0.32 0.25 -0.76 0.00 -0.84 0.00 0.00 61.79 60.11 1waj h SER 22 Cb 1.08 0.48 -0.31 0.00 0.14 0.00 0.00 62.40 63.79 1waj h SER 22 CO 0.30 -0.28 0.52 -0.46 -1.14 0.00 0.00 176.83 175.78 1waj n ASN 23 N -5.49 6.00 -3.64 3.07 6.94 -1.26 -3.77 115.26 117.11 1waj n ASN 23 Ca 0.16 -3.46 -0.08 0.00 -0.02 0.00 0.00 54.58 51.18 1waj n ASN 23 Cb 0.53 -1.13 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 1waj n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1waj n GLY 24 N 1.02 -0.16 3.13 4.83 0.00 -0.89 -4.95 105.19 108.17 1waj n GLY 24 Ca 0.29 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 1waj n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1waj s ARG 25 N -5.01 2.25 -0.25 1.61 0.52 -1.26 -4.88 118.95 111.94 1waj s ARG 25 Ca 0.08 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.35 1waj s ARG 25 Cb -0.04 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 1waj s ARG 25 CO 0.17 0.14 1.52 -2.00 0.02 0.00 0.00 175.30 175.15 1waj s GLU 26 N 0.39 3.82 0.30 3.54 2.12 -1.26 -1.56 118.70 126.05 1waj s GLU 26 Ca -0.14 1.53 0.08 0.00 0.36 0.00 0.00 54.97 56.80 1waj s GLU 26 Cb -0.16 -3.99 -0.06 0.00 0.26 0.00 0.00 34.13 30.18 1waj s GLU 26 CO 0.05 -1.25 -0.08 1.03 -0.54 0.00 0.00 175.26 174.48 1waj s ARG 27 N 4.54 1.63 -0.06 4.30 0.52 0.96 -4.97 118.95 125.86 1waj s ARG 27 Ca 0.67 -1.83 0.06 0.00 -0.52 0.00 0.00 55.73 54.11 1waj s ARG 27 Cb -0.22 -1.34 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 1waj s ARG 27 CO 0.27 0.08 -0.24 0.99 0.02 0.00 0.00 175.30 176.43 1waj s THR 28 N -2.87 2.14 0.11 0.02 2.01 -1.26 -1.14 115.64 114.64 1waj s THR 28 Ca 0.30 -1.03 0.08 0.00 0.31 0.00 0.00 61.69 61.34 1waj s THR 28 Cb 0.03 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1waj s THR 28 CO 0.13 0.57 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.31 1waj s ARG 29 N -0.14 1.09 -0.26 4.92 0.52 -0.51 -5.01 118.95 119.56 1waj s ARG 29 Ca -0.04 -1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 53.98 1waj s ARG 29 Cb -0.14 -1.25 0.08 0.00 0.52 0.00 0.00 34.95 34.16 1waj s ARG 29 CO 0.04 0.28 0.06 -2.00 0.02 0.00 0.00 175.30 173.70 1waj s GLU 30 N -2.07 0.74 -0.13 3.54 2.12 -1.26 -2.02 118.70 119.63 1waj s GLU 30 Ca 0.07 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1waj s GLU 30 Cb -0.09 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.25 1waj s GLU 30 CO 0.04 -0.83 -0.14 0.08 -0.54 0.00 0.00 175.26 173.88 1waj s VAL 31 N 1.71 2.95 -1.05 3.70 1.01 -0.07 -4.93 120.40 123.73 1waj s VAL 31 Ca 0.04 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 1waj s VAL 31 Cb -0.17 -2.23 0.11 0.00 0.00 0.00 0.00 36.38 34.08 1waj s VAL 31 CO -0.18 0.52 1.33 -1.61 0.00 0.00 0.00 175.10 175.17 1waj s GLU 32 N 0.39 3.73 0.31 2.72 2.02 -1.26 -0.03 118.70 126.58 1waj s GLU 32 Ca -0.11 -1.78 -0.30 0.00 0.02 0.00 0.00 54.97 52.80 1waj s GLU 32 Cb -0.16 -5.13 -0.12 0.00 0.10 0.00 0.00 34.13 28.83 1waj s GLU 32 CO 0.05 -1.94 1.54 0.98 0.02 0.00 0.00 175.26 175.92 1waj n TYR 33 N 7.17 2.80 -3.64 1.61 9.36 -1.26 -4.95 117.16 128.25 1waj n TYR 33 Ca 0.31 0.33 -0.38 0.00 3.32 0.00 0.00 57.90 61.48 1waj n TYR 33 Cb 0.48 -2.56 -0.08 0.00 -0.63 0.00 0.00 39.34 36.55 1waj n TYR 33 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1waj s LYS 34 N -0.91 2.95 0.37 2.98 -0.14 -1.26 -3.75 119.74 119.98 1waj s LYS 34 Ca 0.62 -2.80 -0.25 0.00 -1.36 0.00 0.00 55.97 52.17 1waj s LYS 34 Cb -0.51 -3.89 -0.09 0.00 -1.68 0.00 0.00 37.83 31.65 1waj s LYS 34 CO 0.53 -1.22 1.03 -1.25 -0.76 0.00 0.00 175.35 173.67 1waj s PRO 35 N -0.52 4.31 -0.07 -1.68 0.04 -1.26 -4.74 135.00 131.08 1waj s PRO 35 Ca 0.21 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1waj s PRO 35 Cb -0.15 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.71 1waj s PRO 35 CO -0.07 -0.00 -0.13 -1.54 0.04 0.00 0.00 177.00 175.29 1waj s SER 36 N -1.51 4.06 0.48 6.66 1.04 -1.26 -1.64 113.70 121.52 1waj s SER 36 Ca 0.55 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1waj s SER 36 Cb -0.22 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.81 1waj s SER 36 CO 0.28 0.29 0.01 0.18 0.98 0.00 0.00 173.24 174.98 1waj n LEU 37 N 2.67 0.00 -4.09 2.42 4.77 0.29 -4.80 117.00 118.26 1waj n LEU 37 Ca -0.17 -3.01 -0.10 0.00 -0.03 0.00 0.00 56.01 52.70 1waj n LEU 37 Cb 0.52 0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.84 1waj n LEU 37 CO 0.27 -0.43 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.17 1waj s PHE 38 N -2.73 0.61 -0.01 -1.77 0.08 -0.16 -0.27 117.98 113.74 1waj s PHE 38 Ca 0.01 -0.80 -0.06 0.00 0.12 0.00 0.00 56.93 56.19 1waj s PHE 38 Cb -0.00 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 42.06 1waj s PHE 38 CO 0.00 -0.21 0.12 0.00 -0.10 0.00 0.00 175.22 175.03 1waj s ALA 39 N -2.82 -0.28 0.20 5.36 0.00 -1.17 -0.77 121.76 122.29 1waj s ALA 39 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1waj s ALA 39 Cb -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 1waj s ALA 39 CO -0.05 -0.18 1.42 -1.01 0.00 0.00 0.00 175.76 175.94 1waj s HIS 40 N -1.13 3.12 0.27 0.00 3.76 -1.26 -1.49 115.29 118.56 1waj s HIS 40 Ca -0.12 1.01 0.10 0.00 -0.15 0.00 0.00 55.06 55.89 1waj s HIS 40 Cb -0.07 -3.76 -0.04 0.00 1.11 0.00 0.00 32.58 29.82 1waj s HIS 40 CO 0.01 -2.53 -0.02 0.00 -0.85 0.00 0.00 174.74 171.35 1waj s PRO 42 N -3.67 4.13 0.18 0.00 0.04 -1.26 -4.53 135.00 129.89 1waj s PRO 42 Ca 0.31 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 1waj s PRO 42 Cb -0.06 -2.79 0.36 0.00 0.04 0.00 0.00 34.50 32.05 1waj s PRO 42 CO 0.20 -0.29 0.96 0.39 0.04 0.00 0.00 177.00 178.30 1waj n GLU 43 N 0.27 -0.05 -0.24 4.56 1.02 -1.26 -2.93 120.64 122.01 1waj n GLU 43 Ca 0.03 0.94 -0.03 0.00 -0.02 0.00 0.00 57.16 58.08 1waj n GLU 43 Cb 0.45 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.39 1waj n GLU 43 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1waj n SER 44 N -4.92 1.27 -4.31 1.62 3.41 -1.26 -4.79 113.62 104.64 1waj n SER 44 Ca 0.12 -1.75 -0.29 0.00 -0.26 0.00 0.00 58.87 56.69 1waj n SER 44 Cb 0.37 -0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 1waj n SER 44 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1waj s GLN 45 N 2.64 1.71 -0.52 4.33 -1.52 -1.15 -5.07 119.66 120.09 1waj s GLN 45 Ca 0.16 -1.02 -0.19 0.00 -1.95 0.00 0.00 55.36 52.35 1waj s GLN 45 Cb 0.07 -1.84 0.06 0.00 -0.22 0.00 0.00 33.01 31.09 1waj s GLN 45 CO -0.00 0.48 0.65 0.00 -0.25 0.00 0.00 175.29 176.17 1waj s ALA 46 N -0.76 3.37 0.20 6.09 0.00 -1.26 -4.99 121.76 124.41 1waj s ALA 46 Ca 0.10 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.12 1waj s ALA 46 Cb -0.10 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.68 1waj s ALA 46 CO 0.01 -2.06 0.57 0.95 0.00 0.00 0.00 175.76 175.24 1waj s THR 47 N 2.71 0.02 0.00 0.00 -4.23 -1.26 -5.11 115.64 107.77 1waj s THR 47 Ca 0.16 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1waj s THR 47 Cb -0.19 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.19 1waj s THR 47 CO 0.12 -0.07 0.00 0.29 -0.54 0.00 0.00 174.62 174.42 1waj n LYS 48 N -0.37 3.95 -2.94 3.99 5.02 -1.26 -5.00 118.16 121.54 1waj n LYS 48 Ca -0.11 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 1waj n LYS 48 Cb 0.63 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.65 1waj n LYS 48 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1waj n TYR 49 N 0.00 -3.35 -5.05 2.13 4.02 -0.94 -4.54 117.16 109.43 1waj n TYR 49 Ca 0.00 1.35 -0.28 0.00 -0.01 0.00 0.00 57.90 58.95 1waj n TYR 49 Cb 0.00 -3.88 -0.15 0.00 -0.02 0.00 0.00 39.34 35.29 1waj n TYR 49 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1waj s PHE 50 N -2.56 2.02 1.09 -0.72 0.40 -1.06 -1.20 117.98 115.96 1waj s PHE 50 Ca 0.23 -0.38 -0.18 0.00 -0.60 0.00 0.00 56.93 55.99 1waj s PHE 50 Cb -0.06 -1.28 0.26 0.00 0.51 0.00 0.00 43.02 42.45 1waj s PHE 50 CO 0.78 -0.01 1.16 -0.40 0.70 0.00 0.00 175.22 177.45 1waj n ASP 51 N 2.39 -1.15 0.07 1.36 5.68 -0.82 -1.97 116.55 122.10 1waj n ASP 51 Ca -0.16 -1.28 0.06 0.00 -0.50 0.00 0.00 54.79 52.91 1waj n ASP 51 Cb 0.52 -0.98 0.31 0.00 -1.14 0.00 0.00 41.12 39.83 1waj n ASP 51 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1waj n ILE 52 N -4.37 1.35 0.84 2.12 -0.00 -1.21 -1.30 119.36 116.79 1waj n ILE 52 Ca 0.15 0.48 0.11 0.00 -0.00 0.00 0.00 62.75 63.50 1waj n ILE 52 Cb 0.57 -1.42 0.11 0.00 -0.00 0.00 0.00 39.64 38.89 1waj n ILE 52 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1waj n TYR 53 N -1.84 0.06 0.00 4.28 4.01 -1.26 -4.87 117.16 117.54 1waj n TYR 53 Ca 0.01 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1waj n TYR 53 Cb 0.08 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1waj n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1waj n GLY 54 N 1.27 2.76 3.58 2.72 0.00 -0.42 -5.03 105.19 110.08 1waj n GLY 54 Ca 0.14 -0.30 -0.49 0.00 0.00 0.00 0.00 46.02 45.37 1waj n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1waj n LYS 55 N 0.00 1.19 -2.31 1.61 4.01 -1.26 -4.46 118.16 116.93 1waj n LYS 55 Ca 0.00 0.43 -0.35 0.00 -0.51 0.00 0.00 58.31 57.88 1waj n LYS 55 Cb 0.00 -1.94 -0.01 0.00 -0.51 0.00 0.00 35.03 32.58 1waj n LYS 55 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1waj s PRO 56 N -0.32 3.45 0.12 1.97 0.04 -1.26 -1.95 135.00 137.05 1waj s PRO 56 Ca 0.74 1.57 0.04 0.00 0.04 0.00 0.00 61.00 63.39 1waj s PRO 56 Cb -0.85 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 1waj s PRO 56 CO 0.52 -0.76 -0.10 0.00 0.04 0.00 0.00 177.00 176.69 1waj s THR 58 N -2.94 1.79 0.27 0.00 -4.23 -0.55 -4.75 115.64 105.22 1waj s THR 58 Ca 0.12 -1.32 -0.26 0.00 -1.18 0.00 0.00 61.69 59.05 1waj s THR 58 Cb 0.00 -1.56 -0.09 0.00 1.34 0.00 0.00 72.50 72.19 1waj s THR 58 CO 0.00 0.18 0.89 -0.60 -0.54 0.00 0.00 174.62 174.55 1waj s ARG 59 N -1.36 4.60 -0.29 3.99 3.52 -1.26 -3.01 118.95 125.13 1waj s ARG 59 Ca 0.08 1.28 0.01 0.00 -0.13 0.00 0.00 55.73 56.97 1waj s ARG 59 Cb -0.09 -2.98 0.09 0.00 -1.56 0.00 0.00 34.95 30.40 1waj s ARG 59 CO 0.02 0.39 0.03 0.15 -0.81 0.00 0.00 175.30 175.09 1waj s LYS 60 N -1.72 1.23 0.03 5.12 -0.14 0.63 -4.98 119.74 119.91 1waj s LYS 60 Ca 0.45 -1.25 -0.25 0.00 -1.36 0.00 0.00 55.97 53.56 1waj s LYS 60 Cb -0.21 -2.54 -0.05 0.00 -1.68 0.00 0.00 37.83 33.35 1waj s LYS 60 CO 0.26 -0.83 0.77 -1.17 -0.76 0.00 0.00 175.35 173.61 1waj s LEU 61 N 1.35 4.43 -0.01 3.17 1.98 -1.26 -0.55 118.68 127.79 1waj s LEU 61 Ca 0.04 1.43 0.22 0.00 -2.89 0.00 0.00 54.13 52.93 1waj s LEU 61 Cb -0.18 -3.23 -0.29 0.00 0.66 0.00 0.00 46.19 43.15 1waj s LEU 61 CO -0.13 -0.01 0.53 0.49 -1.89 0.00 0.00 176.35 175.34 1waj n PHE 62 N 2.95 0.13 0.00 5.38 3.01 -0.65 -4.97 117.46 123.30 1waj n PHE 62 Ca -0.02 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1waj n PHE 62 Cb 0.50 -0.59 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1waj n PHE 62 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1waj n ALA 63 N -2.28 0.00 -3.41 4.37 0.00 -1.26 -4.76 120.51 113.17 1waj n ALA 63 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1waj n ALA 63 Cb 0.61 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.89 1waj n ALA 63 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1waj s ASN 64 N 0.00 3.02 0.32 0.00 2.47 -1.26 -4.46 114.94 115.03 1waj s ASN 64 Ca 0.00 -0.56 0.08 0.00 0.42 0.00 0.00 52.86 52.80 1waj s ASN 64 Cb 0.00 -1.39 0.79 0.00 -1.45 0.00 0.00 41.25 39.20 1waj s ASN 64 CO 0.00 0.12 1.78 -0.03 -3.72 0.00 0.00 177.10 175.25 1waj h MET 65 N 6.97 0.69 0.00 0.43 1.85 -1.81 -1.41 114.93 121.66 1waj h MET 65 Ca -0.25 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.80 1waj h MET 65 Cb 1.22 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 33.09 1waj h MET 65 CO 0.50 0.46 0.00 0.07 -0.40 0.00 0.00 176.91 177.54 1waj h ARG 66 N 0.72 0.00 -0.43 0.39 0.11 -1.92 -3.14 114.38 110.10 1waj h ARG 66 Ca 0.57 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.65 1waj h ARG 66 Cb 0.96 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.02 1waj h ARG 66 CO -0.36 0.00 0.26 -0.44 0.10 0.00 0.00 179.97 179.52 1waj h ASP 67 N 0.00 0.53 -0.94 0.08 5.19 -1.60 -0.82 116.42 118.86 1waj h ASP 67 Ca 0.00 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1waj h ASP 67 Cb 0.83 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.16 1waj h ASP 67 CO 0.00 0.43 0.56 0.00 -3.12 0.00 0.00 179.24 177.11 1waj h ALA 68 N 1.11 1.22 -0.81 3.45 0.00 -1.56 0.16 119.26 122.83 1waj h ALA 68 Ca 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1waj h ALA 68 Cb 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 1waj h ALA 68 CO -0.03 0.66 0.45 0.77 0.00 0.00 0.00 179.25 181.11 1waj h SER 69 N 1.30 1.01 0.61 0.00 0.02 -1.36 -1.08 113.55 114.05 1waj h SER 69 Ca 0.34 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1waj h SER 69 Cb -0.04 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.25 1waj h SER 69 CO -0.06 0.81 -0.30 -0.61 -1.14 0.00 0.00 176.83 175.53 1waj h GLN 70 N 1.13 -0.80 -0.74 3.45 5.75 -0.52 -2.67 115.11 120.71 1waj h GLN 70 Ca 0.29 0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.95 1waj h GLN 70 Cb 0.02 0.18 -0.12 0.00 1.07 0.00 0.00 27.48 28.63 1waj h GLN 70 CO -0.05 -0.49 -0.42 2.35 -2.65 0.00 0.00 178.83 177.57 1waj h TRP 71 N -0.98 -1.24 -0.14 3.99 7.01 -0.45 -0.31 115.95 123.83 1waj h TRP 71 Ca -0.08 0.09 0.05 0.00 2.11 0.00 0.00 58.89 61.06 1waj h TRP 71 Cb 0.68 0.65 -0.06 0.00 -2.10 0.00 0.00 29.16 28.32 1waj h TRP 71 CO -0.01 -0.41 -0.28 0.82 -2.79 0.00 0.00 178.44 175.78 1waj h ILE 72 N -0.13 0.35 -0.77 2.65 2.04 -1.19 -0.78 117.51 119.68 1waj h ILE 72 Ca 0.23 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.27 1waj h ILE 72 Cb 0.55 0.35 -0.13 0.00 -0.74 0.00 0.00 36.82 36.86 1waj h ILE 72 CO -0.80 0.00 0.10 0.50 0.00 0.00 0.00 178.15 177.96 1waj h LYS 73 N -0.35 0.17 0.85 2.37 3.11 -0.76 -2.53 116.57 119.43 1waj h LYS 73 Ca 0.10 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.89 1waj h LYS 73 Cb 0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1waj h LYS 73 CO -0.33 0.11 -0.46 -0.09 -2.81 0.00 0.00 179.45 175.87 1waj h ARG 74 N 0.17 -1.16 -0.72 1.90 2.43 0.21 -2.19 114.38 115.03 1waj h ARG 74 Ca 0.44 0.08 0.13 0.00 -0.81 0.00 0.00 59.98 59.82 1waj h ARG 74 Cb 0.79 0.26 -0.13 0.00 -0.42 0.00 0.00 29.97 30.47 1waj h ARG 74 CO -0.61 -0.77 -0.30 0.52 -1.51 0.00 0.00 179.97 177.30 1waj h MET 75 N -1.20 -0.08 -0.39 0.20 2.86 -0.89 0.37 114.93 115.79 1waj h MET 75 Ca -0.12 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 1waj h MET 75 Cb 0.94 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.54 1waj h MET 75 CO 0.16 -0.05 -0.12 0.93 1.06 0.00 0.00 176.91 178.88 1waj h GLU 76 N -0.08 -0.03 -0.64 1.72 5.08 -1.41 0.19 114.58 119.41 1waj h GLU 76 Ca 0.30 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.75 1waj h GLU 76 Cb 0.56 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 1waj h GLU 76 CO -0.77 -0.02 0.27 -0.44 -1.00 0.00 0.00 179.01 177.05 1waj h ASP 77 N -0.03 0.31 0.12 1.42 3.32 -0.30 -1.72 116.42 119.53 1waj h ASP 77 Ca 0.19 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1waj h ASP 77 Cb 0.33 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1waj h ASP 77 CO -0.43 0.18 -0.06 0.40 -1.72 0.00 0.00 179.24 177.62 1waj h ILE 78 N 0.48 0.97 0.00 0.35 2.04 -0.48 -3.47 117.51 117.40 1waj h ILE 78 Ca 0.32 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1waj h ILE 78 Cb 0.37 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1waj h ILE 78 CO -0.29 0.08 0.00 0.61 0.00 0.00 0.00 178.15 178.55 1waj n GLY 79 N -0.74 0.56 3.73 5.37 0.00 0.56 -5.12 105.19 109.55 1waj n GLY 79 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1waj n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1waj s LEU 80 N 0.00 4.45 0.12 0.99 1.43 -0.52 -4.91 118.68 120.24 1waj s LEU 80 Ca 0.00 2.05 -0.30 0.00 -1.03 0.00 0.00 54.13 54.85 1waj s LEU 80 Cb 0.00 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 1waj s LEU 80 CO 0.00 -0.29 1.20 -0.70 0.23 0.00 0.00 176.35 176.79 1waj s GLU 81 N 0.08 4.46 -0.25 1.70 2.12 -1.26 -3.57 118.70 121.99 1waj s GLU 81 Ca 0.52 1.82 -0.05 0.00 0.36 0.00 0.00 54.97 57.62 1waj s GLU 81 Cb -0.29 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 1waj s GLU 81 CO 0.33 -0.17 0.01 0.00 -0.54 0.00 0.00 175.26 174.89 1waj s ALA 82 N 0.52 2.93 0.36 6.30 0.00 -1.26 -4.49 121.76 126.12 1waj s ALA 82 Ca 0.56 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 51.35 1waj s ALA 82 Cb -0.31 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 1waj s ALA 82 CO 0.33 -0.59 0.27 -0.51 0.00 0.00 0.00 175.76 175.26 1waj s LEU 83 N 1.50 3.44 0.00 0.00 1.02 0.05 -4.60 118.68 120.09 1waj s LEU 83 Ca 0.05 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.55 1waj s LEU 83 Cb -0.15 -2.02 0.00 0.00 0.02 0.00 0.00 46.19 44.04 1waj s LEU 83 CO -0.01 -0.42 0.00 0.61 0.02 0.00 0.00 176.35 176.56 1waj n GLY 84 N -1.35 0.99 3.56 -3.19 0.00 -0.78 -0.99 105.19 103.44 1waj n GLY 84 Ca -0.01 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 1waj n GLY 84 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1waj s MET 85 N -1.18 3.08 0.59 1.61 1.75 -1.26 -4.82 119.30 119.07 1waj s MET 85 Ca 0.00 0.41 0.36 0.00 -1.25 0.00 0.00 55.69 55.21 1waj s MET 85 Cb 0.00 -4.22 1.81 0.00 2.84 0.00 0.00 34.83 35.26 1waj s MET 85 CO 0.00 -2.21 2.16 0.38 -0.65 0.00 0.00 175.02 174.70 1waj h ASP 86 N 12.10 0.00 -3.57 1.11 3.04 -1.96 -3.39 116.42 123.76 1waj h ASP 86 Ca -0.27 0.00 -0.67 0.00 -3.24 0.00 0.00 57.03 52.85 1waj h ASP 86 Cb 1.11 0.00 -0.17 0.00 -1.04 0.00 0.00 39.33 39.23 1waj h ASP 86 CO 1.20 0.03 -0.01 -0.62 -2.04 0.00 0.00 179.24 177.80 1waj s ASP 87 N -5.62 6.27 0.28 4.15 -1.08 -1.26 -4.96 116.67 114.45 1waj s ASP 87 Ca -0.02 -0.48 0.05 0.00 -0.52 0.00 0.00 52.55 51.58 1waj s ASP 87 Cb 0.12 -2.28 0.41 0.00 -1.46 0.00 0.00 42.92 39.70 1waj s ASP 87 CO 0.50 -0.70 1.67 -0.26 0.52 0.00 0.00 175.17 176.91 1waj h PHE 88 N 8.82 0.33 0.13 -5.34 0.04 -2.00 -3.00 116.94 115.92 1waj h PHE 88 Ca -0.26 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.44 1waj h PHE 88 Cb 1.10 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 39.14 1waj h PHE 88 CO 0.68 0.67 -0.33 0.87 -0.60 0.00 0.00 178.31 179.60 1waj h LYS 89 N 0.23 -0.54 -0.74 1.51 1.57 -1.96 0.17 116.57 116.82 1waj h LYS 89 Ca 0.02 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1waj h LYS 89 Cb 0.85 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.24 1waj h LYS 89 CO 0.07 -0.36 0.49 -0.07 -0.57 0.00 0.00 179.45 179.01 1waj h LEU 90 N -0.56 0.60 0.22 2.94 3.38 -1.86 0.35 115.31 120.37 1waj h LEU 90 Ca 0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1waj h LEU 90 Cb 0.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1waj h LEU 90 CO -0.18 0.36 -0.10 0.00 0.09 0.00 0.00 178.44 178.60 1waj h ALA 91 N 1.62 -0.29 -0.04 1.53 0.00 -1.04 -2.43 119.26 118.60 1waj h ALA 91 Ca 0.34 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1waj h ALA 91 Cb 0.43 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1waj h ALA 91 CO -0.12 -0.64 -0.49 -0.92 0.00 0.00 0.00 179.25 177.08 1waj h TYR 92 N -0.35 -1.44 -0.43 0.00 5.03 0.14 -1.42 116.97 118.50 1waj h TYR 92 Ca -0.03 0.05 0.09 0.00 2.58 0.00 0.00 58.73 61.42 1waj h TYR 92 Cb 0.27 0.63 -0.09 0.00 1.55 0.00 0.00 36.73 39.09 1waj h TYR 92 CO -0.05 -0.54 -0.22 -0.07 -1.32 0.00 0.00 178.16 175.96 1waj h LEU 93 N -0.61 -0.75 0.02 2.82 3.38 -1.18 0.26 115.31 119.24 1waj h LEU 93 Ca 0.03 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1waj h LEU 93 Cb 0.69 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1waj h LEU 93 CO -0.37 -0.25 -0.21 -1.28 0.09 0.00 0.00 178.44 176.42 1waj h SER 94 N -0.14 -0.62 -0.32 -0.43 0.87 -1.05 0.11 113.55 111.97 1waj h SER 94 Ca 0.20 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.94 1waj h SER 94 Cb 0.46 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1waj h SER 94 CO -0.51 -0.28 0.28 0.44 -0.53 0.00 0.00 176.83 176.22 1waj h ASP 95 N -0.35 0.00 0.00 6.23 5.19 -0.11 -2.53 116.42 124.85 1waj h ASP 95 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1waj h ASP 95 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1waj h ASP 95 CO -0.18 0.00 -1.77 0.41 -3.12 0.00 0.00 179.24 174.57 1waj n THR 96 N -4.10 0.00 -2.68 0.35 -1.04 0.80 -4.53 114.28 103.08 1waj n THR 96 Ca 0.05 -0.40 -0.21 0.00 -2.04 0.00 0.00 64.05 61.45 1waj n THR 96 Cb 0.44 0.14 -0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1waj n THR 96 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1waj n TYR 97 N -2.09 2.63 0.03 -1.42 4.02 0.29 -4.91 117.16 115.71 1waj n TYR 97 Ca -0.03 -3.26 0.00 0.00 -0.01 0.00 0.00 57.90 54.60 1waj n TYR 97 Cb 0.46 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 1waj n TYR 97 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1waj n ASN 98 N -0.26 0.37 -3.27 7.72 6.94 -0.98 -4.74 115.26 121.05 1waj n ASN 98 Ca 0.28 -0.58 -0.17 0.00 -0.02 0.00 0.00 54.58 54.09 1waj n ASN 98 Cb 0.65 -0.07 -0.06 0.00 -2.36 0.00 0.00 39.78 37.94 1waj n ASN 98 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1waj s TYR 99 N 1.29 1.41 0.70 -2.53 1.13 -1.26 -5.13 117.35 112.96 1waj s TYR 99 Ca 0.00 -1.48 -0.14 0.00 -1.41 0.00 0.00 57.07 54.04 1waj s TYR 99 Cb 0.00 -0.38 0.02 0.00 -1.10 0.00 0.00 41.96 40.50 1waj s TYR 99 CO 0.00 -1.02 1.11 -2.00 -2.51 0.00 0.00 175.55 171.12 1waj s GLU 100 N -3.20 2.61 -0.14 -3.49 2.12 -1.26 -5.02 118.70 110.32 1waj s GLU 100 Ca 0.35 1.33 -0.14 0.00 0.36 0.00 0.00 54.97 56.87 1waj s GLU 100 Cb 0.01 -1.93 -0.11 0.00 0.26 0.00 0.00 34.13 32.35 1waj s GLU 100 CO 0.24 -1.39 0.21 0.82 -0.54 0.00 0.00 175.26 174.60 1waj h ILE 101 N -0.35 0.67 -5.47 -3.70 1.08 -1.92 -3.51 117.51 104.32 1waj h ILE 101 Ca -0.46 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.42 1waj h ILE 101 Cb 1.24 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 36.34 1waj h ILE 101 CO 0.53 0.23 -1.03 0.29 -0.69 0.00 0.00 178.15 177.48 1waj n LYS 102 N -4.63 -2.80 -4.11 2.37 5.02 -1.26 -4.93 118.16 107.82 1waj n LYS 102 Ca -0.11 2.34 -0.26 0.00 -2.02 0.00 0.00 58.31 58.27 1waj n LYS 102 Cb 0.32 -4.08 -0.06 0.00 -0.02 0.00 0.00 35.03 31.20 1waj n LYS 102 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1waj s TYR 103 N -1.26 3.08 0.00 2.13 1.13 -1.26 -4.91 117.35 116.26 1waj s TYR 103 Ca -0.04 -0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.57 1waj s TYR 103 Cb 0.00 -1.47 0.00 0.00 -1.10 0.00 0.00 41.96 39.39 1waj s TYR 103 CO 0.56 0.52 0.00 -3.47 -2.51 0.00 0.00 175.55 170.65 1waj n ASP 104 N -0.39 0.00 0.00 -0.18 2.03 -1.26 -5.02 116.55 111.72 1waj n ASP 104 Ca -0.08 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1waj n ASP 104 Cb 0.55 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 1waj n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1waj n HIS 105 N -1.18 0.00 0.30 -0.67 1.44 -1.26 -4.77 115.22 109.08 1waj n HIS 105 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 1waj n HIS 105 Cb 0.00 0.00 0.53 0.00 0.12 0.00 0.00 29.99 30.64 1waj n HIS 105 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1waj n THR 106 N 0.00 0.91 -0.53 0.61 -2.24 -1.26 -0.15 114.28 111.62 1waj n THR 106 Ca 0.00 0.43 0.11 0.00 -2.27 0.00 0.00 64.05 62.32 1waj n THR 106 Cb 0.00 -1.40 0.35 0.00 -2.10 0.00 0.00 70.33 67.18 1waj n THR 106 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1waj n LYS 107 N -2.26 3.34 -4.13 -0.78 5.02 -1.26 -4.83 118.16 113.26 1waj n LYS 107 Ca 0.01 -2.82 -0.34 0.00 -2.02 0.00 0.00 58.31 53.13 1waj n LYS 107 Cb 0.15 -1.77 -0.15 0.00 -0.02 0.00 0.00 35.03 33.24 1waj n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1waj s ILE 108 N -1.50 2.91 -1.16 -0.18 1.01 0.79 -5.00 121.20 118.07 1waj s ILE 108 Ca 0.51 -0.66 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 1waj s ILE 108 Cb 0.30 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1waj s ILE 108 CO 0.29 0.48 1.71 -0.60 0.00 0.00 0.00 174.94 176.82 1waj s ARG 109 N 1.23 3.46 -0.35 2.79 3.52 -1.26 -4.68 118.95 123.66 1waj s ARG 109 Ca 0.03 -1.42 -0.24 0.00 -0.13 0.00 0.00 55.73 53.96 1waj s ARG 109 Cb -0.14 -5.39 0.01 0.00 -1.56 0.00 0.00 34.95 27.87 1waj s ARG 109 CO -0.05 -2.67 0.83 0.08 -0.81 0.00 0.00 175.30 172.69 1waj s VAL 110 N 6.26 4.70 -0.12 7.11 1.01 -1.26 -0.46 120.40 137.65 1waj s VAL 110 Ca 0.56 1.08 -0.08 0.00 0.00 0.00 0.00 61.98 63.54 1waj s VAL 110 Cb 0.01 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1waj s VAL 110 CO 0.03 -0.41 0.17 0.00 0.00 0.00 0.00 175.10 174.88 1waj s ALA 111 N 3.18 3.83 -0.15 5.51 0.00 -0.65 -1.70 121.76 131.77 1waj s ALA 111 Ca 0.34 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1waj s ALA 111 Cb -0.13 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1waj s ALA 111 CO 0.16 0.54 -0.15 1.21 0.00 0.00 0.00 175.76 177.52 1waj s ASN 112 N -0.83 2.77 0.18 0.00 3.04 -0.29 -1.66 114.94 118.15 1waj s ASN 112 Ca 0.15 -0.52 -0.01 0.00 0.04 0.00 0.00 52.86 52.52 1waj s ASN 112 Cb -0.12 -1.23 -0.04 0.00 -1.54 0.00 0.00 41.25 38.32 1waj s ASN 112 CO 0.04 -0.05 0.09 0.72 -3.04 0.00 0.00 177.10 174.86 1waj s PHE 113 N 1.45 1.09 -0.18 0.43 -0.71 -1.06 -1.42 117.98 117.59 1waj s PHE 113 Ca 0.05 -1.29 -0.08 0.00 -1.04 0.00 0.00 56.93 54.56 1waj s PHE 113 Cb -0.13 -0.57 0.07 0.00 -1.21 0.00 0.00 43.02 41.18 1waj s PHE 113 CO -0.11 -0.55 0.41 0.34 -1.34 0.00 0.00 175.22 173.97 1waj s ASP 114 N -3.13 -0.41 0.29 1.98 2.15 -0.97 -4.46 116.67 112.11 1waj s ASP 114 Ca 0.33 0.90 0.08 0.00 0.43 0.00 0.00 52.55 54.29 1waj s ASP 114 Cb 0.07 0.92 -0.04 0.00 -0.30 0.00 0.00 42.92 43.57 1waj s ASP 114 CO 0.08 -0.20 0.14 0.27 -0.17 0.00 0.00 175.17 175.28 1waj s ILE 115 N 1.75 3.73 0.01 4.11 -5.25 -1.26 -1.68 121.20 122.61 1waj s ILE 115 Ca -0.07 -1.61 0.01 0.00 -0.99 0.00 0.00 60.65 57.99 1waj s ILE 115 Cb -0.09 -3.12 -0.01 0.00 2.95 0.00 0.00 42.46 42.19 1waj s ILE 115 CO -0.13 -0.30 -0.04 -1.61 -1.79 0.00 0.00 174.94 171.08 1waj s GLU 116 N -3.82 0.32 0.03 0.37 0.41 0.39 -4.97 118.70 111.43 1waj s GLU 116 Ca 0.35 -0.26 0.01 0.00 -0.41 0.00 0.00 54.97 54.66 1waj s GLU 116 Cb -0.06 -0.24 -0.02 0.00 -1.78 0.00 0.00 34.13 32.03 1waj s GLU 116 CO 0.23 0.06 -0.06 0.08 -0.49 0.00 0.00 175.26 175.08 1waj s VAL 117 N -0.39 0.38 -0.04 2.63 1.01 -1.26 -0.97 120.40 121.76 1waj s VAL 117 Ca -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1waj s VAL 117 Cb -0.03 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1waj s VAL 117 CO -0.00 -0.40 0.02 -0.89 0.00 0.00 0.00 175.10 173.83 1waj s THR 118 N -1.34 4.37 -0.22 3.92 2.01 -1.26 -4.96 115.64 118.16 1waj s THR 118 Ca -0.11 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 1waj s THR 118 Cb -0.10 -2.91 0.06 0.00 0.01 0.00 0.00 72.50 69.56 1waj s THR 118 CO -0.00 0.48 0.57 -0.55 -0.69 0.00 0.00 174.62 174.42 1waj s SER 119 N -1.29 -0.62 0.14 3.53 0.15 -1.26 -4.82 113.70 109.52 1waj s SER 119 Ca 0.17 1.16 -0.30 0.00 0.70 0.00 0.00 55.95 57.69 1waj s SER 119 Cb -0.12 1.16 -0.06 0.00 -1.71 0.00 0.00 66.02 65.30 1waj s SER 119 CO 0.07 -0.20 1.57 1.55 1.20 0.00 0.00 173.24 177.43 1waj h PRO 120 N 5.52 -0.41 -6.46 5.44 0.13 -1.97 -3.34 132.00 130.91 1waj h PRO 120 Ca -0.29 0.03 -0.53 0.00 -0.87 0.00 0.00 66.00 64.34 1waj h PRO 120 Cb 1.18 0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1waj h PRO 120 CO 0.16 -0.27 0.29 0.16 -0.23 0.00 0.00 178.00 178.11 1waj s ASP 121 N -4.98 7.39 0.60 1.44 1.47 -1.26 -4.41 116.67 116.92 1waj s ASP 121 Ca -0.15 1.66 0.28 0.00 1.18 0.00 0.00 52.55 55.53 1waj s ASP 121 Cb 0.10 -2.55 1.19 0.00 -0.34 0.00 0.00 42.92 41.32 1waj s ASP 121 CO 0.64 -0.05 1.57 1.23 0.68 0.00 0.00 175.17 179.23 1waj h GLY 122 N 5.70 0.00 -6.23 2.12 0.00 -1.75 -3.41 103.07 99.49 1waj h GLY 122 Ca -0.43 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.33 1waj h GLY 122 CO 0.72 0.00 -0.82 -1.36 0.00 0.00 0.00 176.54 175.07 1waj s PHE 123 N -4.52 1.85 0.44 5.60 0.40 -1.26 -4.82 117.98 115.66 1waj s PHE 123 Ca -0.03 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.35 1waj s PHE 123 Cb 0.15 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1waj s PHE 123 CO 0.51 -0.51 0.70 -1.25 0.70 0.00 0.00 175.22 175.37 1waj s PRO 124 N 1.26 3.47 -0.47 0.24 0.04 -1.26 -5.06 135.00 133.23 1waj s PRO 124 Ca -0.02 -0.03 -0.20 0.00 0.04 0.00 0.00 61.00 60.79 1waj s PRO 124 Cb -0.14 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.96 1waj s PRO 124 CO -0.05 -0.10 0.66 -1.21 0.04 0.00 0.00 177.00 176.34 1waj s GLU 125 N -4.59 3.23 0.58 4.56 0.41 -1.26 -4.89 118.70 116.73 1waj s GLU 125 Ca 0.45 -0.53 0.29 0.00 -0.41 0.00 0.00 54.97 54.77 1waj s GLU 125 Cb -0.10 -4.01 1.47 0.00 -1.78 0.00 0.00 34.13 29.71 1waj s GLU 125 CO 0.41 -1.12 1.90 -1.35 -0.49 0.00 0.00 175.26 174.61 1waj h PRO 126 N 8.95 0.00 0.06 0.39 0.11 -1.94 0.19 132.00 139.77 1waj h PRO 126 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1waj h PRO 126 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1waj h PRO 126 CO 0.93 0.00 -0.03 0.66 -0.21 0.00 0.00 178.00 179.35 1waj h SER 127 N 0.00 -0.07 -0.01 -2.05 4.64 -1.90 -3.34 113.55 110.82 1waj h SER 127 Ca 0.26 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1waj h SER 127 Cb 1.27 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1waj h SER 127 CO -0.00 0.17 -0.38 0.00 -0.87 0.00 0.00 176.83 175.75 1waj n GLN 128 N -5.02 1.67 -4.05 4.77 0.00 0.17 -4.93 117.38 109.98 1waj n GLN 128 Ca -0.08 -0.75 -0.36 0.00 0.00 0.00 0.00 57.00 55.81 1waj n GLN 128 Cb 0.15 -1.28 -0.02 0.00 0.00 0.00 0.00 30.24 29.09 1waj n GLN 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1waj n ALA 129 N -0.23 -2.19 -0.09 2.61 0.00 0.42 -4.84 120.51 116.19 1waj n ALA 129 Ca 0.06 -0.46 -0.07 0.00 0.00 0.00 0.00 53.44 52.97 1waj n ALA 129 Cb 0.34 -1.62 0.10 0.00 0.00 0.00 0.00 19.45 18.27 1waj n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1waj h LYS 130 N -1.68 0.78 -6.24 0.00 1.57 -1.96 -3.44 116.57 105.60 1waj h LYS 130 Ca -0.60 -0.30 -0.57 0.00 -1.87 0.00 0.00 60.65 57.31 1waj h LYS 130 Cb 1.20 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 1waj h LYS 130 CO 0.51 0.91 -0.18 -1.01 -0.57 0.00 0.00 179.45 179.11 1waj s HIS 131 N -4.66 3.55 0.25 -1.35 3.76 -1.26 -5.07 115.29 110.51 1waj s HIS 131 Ca -0.09 0.86 -0.30 0.00 -0.15 0.00 0.00 55.06 55.38 1waj s HIS 131 Cb 0.13 -2.22 -0.09 0.00 1.11 0.00 0.00 32.58 31.50 1waj s HIS 131 CO 0.83 0.43 1.26 -1.25 -0.85 0.00 0.00 174.74 175.17 1waj s PRO 132 N -2.18 4.43 0.02 8.40 0.04 -1.26 -4.98 135.00 139.47 1waj s PRO 132 Ca 0.38 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 1waj s PRO 132 Cb -0.13 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 1waj s PRO 132 CO 0.20 -0.14 1.42 0.42 0.04 0.00 0.00 177.00 178.94 1waj s ILE 133 N -0.53 3.62 -0.59 0.56 1.01 -1.26 -4.24 121.20 119.77 1waj s ILE 133 Ca 0.52 1.03 0.13 0.00 0.00 0.00 0.00 60.65 62.33 1waj s ILE 133 Cb -0.36 -3.66 -0.15 0.00 0.01 0.00 0.00 42.46 38.29 1waj s ILE 133 CO 0.43 0.01 0.55 -0.90 0.00 0.00 0.00 174.94 175.03 1waj n ASP 134 N 5.24 0.70 -3.65 3.58 5.68 -0.14 -4.92 116.55 123.03 1waj n ASP 134 Ca 0.13 -0.77 -0.12 0.00 -0.50 0.00 0.00 54.79 53.54 1waj n ASP 134 Cb 0.43 1.04 -0.08 0.00 -1.14 0.00 0.00 41.12 41.37 1waj n ASP 134 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1waj s ALA 135 N -2.30 -1.65 -0.03 2.12 0.00 -1.11 -2.38 121.76 116.41 1waj s ALA 135 Ca 0.04 1.98 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 1waj s ALA 135 Cb 0.10 -1.16 0.03 0.00 0.00 0.00 0.00 23.12 22.09 1waj s ALA 135 CO 0.55 -0.33 0.05 0.42 0.00 0.00 0.00 175.76 176.45 1waj s ILE 136 N 0.75 -0.07 -0.12 0.00 1.01 -0.86 -0.46 121.20 121.45 1waj s ILE 136 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1waj s ILE 136 Cb -0.05 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.29 1waj s ILE 136 CO -0.05 0.10 -0.14 -0.89 0.00 0.00 0.00 174.94 173.96 1waj s THR 137 N 1.23 3.01 -0.47 2.92 2.01 -0.67 -1.12 115.64 122.53 1waj s THR 137 Ca -0.07 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1waj s THR 137 Cb -0.13 -2.25 0.16 0.00 0.01 0.00 0.00 72.50 70.30 1waj s THR 137 CO -0.03 0.53 0.36 -2.28 -0.69 0.00 0.00 174.62 172.50 1waj s HIS 138 N 0.26 1.68 0.08 4.92 5.04 -0.17 -2.29 115.29 124.81 1waj s HIS 138 Ca -0.10 -2.51 -0.31 0.00 -1.54 0.00 0.00 55.06 50.61 1waj s HIS 138 Cb -0.16 -1.39 -0.08 0.00 0.04 0.00 0.00 32.58 31.00 1waj s HIS 138 CO 0.05 -0.76 1.48 -0.47 -2.34 0.00 0.00 174.74 172.70 1waj s TYR 139 N -0.18 2.91 -0.25 3.88 6.14 -0.51 -3.47 117.35 125.87 1waj s TYR 139 Ca 0.29 0.72 -0.08 0.00 0.64 0.00 0.00 57.07 58.63 1waj s TYR 139 Cb -0.02 -3.78 -0.03 0.00 0.42 0.00 0.00 41.96 38.54 1waj s TYR 139 CO -0.16 -2.91 0.10 0.34 0.64 0.00 0.00 175.55 173.56 1waj s ASP 140 N 1.64 5.36 0.25 4.32 -1.08 -0.66 -1.13 116.67 125.36 1waj s ASP 140 Ca 0.67 -0.15 -0.06 0.00 -0.52 0.00 0.00 52.55 52.49 1waj s ASP 140 Cb -0.37 -1.97 0.26 0.00 -1.46 0.00 0.00 42.92 39.38 1waj s ASP 140 CO 0.30 -0.03 1.92 0.77 0.52 0.00 0.00 175.17 178.65 1waj h SER 141 N 8.21 1.11 -0.09 -0.34 4.64 -1.66 0.61 113.55 126.03 1waj h SER 141 Ca -0.37 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1waj h SER 141 Cb 1.18 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1waj h SER 141 CO 0.58 0.79 0.03 0.40 -0.87 0.00 0.00 176.83 177.76 1waj h ILE 142 N 1.30 1.14 0.00 0.95 1.08 -1.83 -3.14 117.51 117.01 1waj h ILE 142 Ca 0.36 -0.42 -0.08 0.00 -0.39 0.00 0.00 64.86 64.34 1waj h ILE 142 Cb -0.12 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1waj h ILE 142 CO -0.09 0.12 -0.60 0.44 -0.69 0.00 0.00 178.15 177.33 1waj h ASP 143 N -0.02 0.00 -5.09 1.72 3.32 -1.95 -3.48 116.42 110.93 1waj h ASP 143 Ca 0.03 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.79 1waj h ASP 143 Cb 0.16 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.85 1waj h ASP 143 CO -0.00 0.34 -0.64 -0.67 -1.72 0.00 0.00 179.24 176.55 1waj n ASP 144 N -3.08 -2.72 -4.09 6.45 2.03 0.21 -5.01 116.55 110.34 1waj n ASP 144 Ca 0.00 -0.51 -0.10 0.00 0.52 0.00 0.00 54.79 54.70 1waj n ASP 144 Cb 0.69 -4.41 -0.10 0.00 -0.72 0.00 0.00 41.12 36.57 1waj n ASP 144 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1waj s ARG 145 N -5.33 0.62 -0.26 -0.67 1.81 -1.16 -4.93 118.95 109.02 1waj s ARG 145 Ca 0.09 -1.08 -0.05 0.00 -1.72 0.00 0.00 55.73 52.97 1waj s ARG 145 Cb -0.04 -0.03 0.00 0.00 -0.45 0.00 0.00 34.95 34.43 1waj s ARG 145 CO 0.62 -0.04 0.03 -0.06 -0.68 0.00 0.00 175.30 175.16 1waj s PHE 146 N -2.98 3.08 -0.22 -0.53 0.40 -1.21 -1.65 117.98 114.88 1waj s PHE 146 Ca 0.02 -1.00 -0.11 0.00 -0.60 0.00 0.00 56.93 55.24 1waj s PHE 146 Cb 0.01 -2.18 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 1waj s PHE 146 CO -0.05 -0.57 0.19 0.71 0.70 0.00 0.00 175.22 176.20 1waj s TYR 147 N 1.48 3.36 -0.12 0.36 1.51 -1.23 0.36 117.35 123.06 1waj s TYR 147 Ca 0.03 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 1waj s TYR 147 Cb -0.16 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.40 1waj s TYR 147 CO 0.00 0.13 -0.16 0.08 -1.11 0.00 0.00 175.55 174.48 1waj s VAL 148 N 0.87 2.74 -0.26 0.71 1.01 -1.07 -1.00 120.40 123.40 1waj s VAL 148 Ca 0.09 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1waj s VAL 148 Cb -0.13 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1waj s VAL 148 CO 0.03 0.53 -0.06 -0.36 0.00 0.00 0.00 175.10 175.25 1waj s PHE 149 N 0.39 3.12 -0.13 5.22 0.40 -0.28 -1.59 117.98 125.10 1waj s PHE 149 Ca -0.13 -1.69 -0.00 0.00 -0.60 0.00 0.00 56.93 54.51 1waj s PHE 149 Cb -0.16 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 1waj s PHE 149 CO 0.06 -0.76 -0.12 0.34 0.70 0.00 0.00 175.22 175.44 1waj s ASP 150 N 1.29 4.08 -0.44 1.36 -1.08 -0.31 -2.02 116.67 119.55 1waj s ASP 150 Ca -0.02 -0.31 -0.16 0.00 -0.52 0.00 0.00 52.55 51.54 1waj s ASP 150 Cb -0.17 -1.63 0.04 0.00 -1.46 0.00 0.00 42.92 39.70 1waj s ASP 150 CO -0.04 0.16 0.41 -0.22 0.52 0.00 0.00 175.17 176.00 1waj s LEU 151 N 0.35 5.12 0.08 -1.34 2.96 -1.00 -0.29 118.68 124.56 1waj s LEU 151 Ca -0.10 -0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 52.75 1waj s LEU 151 Cb -0.16 -2.28 -0.19 0.00 0.50 0.00 0.00 46.19 44.06 1waj s LEU 151 CO 0.05 -0.59 1.24 -0.07 -1.32 0.00 0.00 176.35 175.66 1waj h LEU 152 N 8.93 0.88 -8.47 -0.68 3.38 -1.31 -3.44 115.31 114.61 1waj h LEU 152 Ca -0.27 -0.68 -0.66 0.00 0.09 0.00 0.00 57.88 56.36 1waj h LEU 152 Cb 1.11 -0.26 -0.27 0.00 0.09 0.00 0.00 40.66 41.32 1waj h LEU 152 CO 0.81 1.42 -0.74 0.20 0.09 0.00 0.00 178.44 180.23 1waj s ASN 153 N -7.10 4.20 0.04 -0.43 0.01 -1.01 0.31 114.94 110.97 1waj s ASN 153 Ca -0.11 -0.37 -0.01 0.00 -0.71 0.00 0.00 52.86 51.67 1waj s ASN 153 Cb 0.07 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 40.00 1waj s ASN 153 CO 0.90 0.04 -0.03 -0.55 -1.51 0.00 0.00 177.10 175.95 1waj s SER 154 N 1.09 0.44 0.00 -1.22 0.15 -1.20 -4.65 113.70 108.32 1waj s SER 154 Ca 0.01 -0.87 0.18 0.00 0.70 0.00 0.00 55.95 55.97 1waj s SER 154 Cb -0.15 0.17 0.89 0.00 -1.71 0.00 0.00 66.02 65.23 1waj s SER 154 CO -0.01 -0.52 1.57 -0.81 1.20 0.00 0.00 173.24 174.67 1waj n PRO 155 N 0.49 0.20 -1.31 5.44 -0.04 -1.26 -2.11 135.00 136.40 1waj n PRO 155 Ca -0.17 0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 1waj n PRO 155 Cb 0.59 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.67 1waj n PRO 155 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1waj n TYR 156 N -1.34 3.00 0.00 0.54 4.01 -1.26 -4.96 117.16 117.14 1waj n TYR 156 Ca 0.08 -2.51 0.00 0.00 -0.16 0.00 0.00 57.90 55.31 1waj n TYR 156 Cb 0.16 -1.15 0.00 0.00 -0.31 0.00 0.00 39.34 38.05 1waj n TYR 156 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1waj n GLY 157 N -0.99 0.79 3.90 2.72 0.00 -0.90 -4.70 105.19 106.02 1waj n GLY 157 Ca 0.58 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 1waj n GLY 157 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1waj s ASN 158 N -0.22 6.35 0.31 1.61 0.02 -1.24 -3.20 114.94 118.56 1waj s ASN 158 Ca 0.00 0.88 0.05 0.00 -1.02 0.00 0.00 52.86 52.76 1waj s ASN 158 Cb 0.00 -2.22 -0.03 0.00 0.02 0.00 0.00 41.25 39.02 1waj s ASN 158 CO 0.00 -0.45 0.22 0.68 0.02 0.00 0.00 177.10 177.58 1waj s VAL 159 N -2.51 0.09 0.49 1.60 -7.23 0.15 -4.94 120.40 108.05 1waj s VAL 159 Ca 0.47 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.55 1waj s VAL 159 Cb -0.10 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 1waj s VAL 159 CO 0.39 0.00 0.84 -1.61 -0.31 0.00 0.00 175.10 174.41 1waj s GLU 160 N -3.66 3.64 0.00 4.82 0.41 -1.26 -4.84 118.70 117.81 1waj s GLU 160 Ca 0.38 0.43 0.00 0.00 -0.41 0.00 0.00 54.97 55.37 1waj s GLU 160 Cb 0.04 -2.30 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 1waj s GLU 160 CO 0.22 -0.24 0.00 0.39 -0.49 0.00 0.00 175.26 175.14 1waj n GLU 161 N -2.08 -1.23 -4.95 1.61 1.02 -1.26 -4.93 120.64 108.82 1waj n GLU 161 Ca 0.02 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.89 1waj n GLU 161 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.81 1waj n GLU 161 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1waj s TRP 162 N -0.87 2.01 -0.28 -0.32 -0.00 -1.26 -4.83 118.94 113.38 1waj s TRP 162 Ca 0.00 -0.38 -0.09 0.00 -0.00 0.00 0.00 56.10 55.63 1waj s TRP 162 Cb 0.00 -1.25 -0.02 0.00 -0.00 0.00 0.00 33.47 32.20 1waj s TRP 162 CO 0.00 0.03 0.13 0.45 -0.00 0.00 0.00 176.95 177.56 1waj s SER 163 N -0.83 5.47 0.21 5.86 0.15 -1.26 -4.97 113.70 118.33 1waj s SER 163 Ca 0.09 -0.32 -0.10 0.00 0.70 0.00 0.00 55.95 56.32 1waj s SER 163 Cb -0.09 -1.99 0.16 0.00 -1.71 0.00 0.00 66.02 62.40 1waj s SER 163 CO 0.00 -0.11 1.87 0.40 1.20 0.00 0.00 173.24 176.61 1waj h ILE 164 N 5.57 1.21 -0.27 6.45 5.03 -1.99 -0.27 117.51 133.24 1waj h ILE 164 Ca -0.35 -0.41 -0.12 0.00 -0.12 0.00 0.00 64.86 63.87 1waj h ILE 164 Cb 1.16 0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 35.02 1waj h ILE 164 CO 0.59 0.21 -0.33 1.05 -0.68 0.00 0.00 178.15 178.99 1waj h GLU 165 N 1.06 0.57 -0.10 2.37 9.09 -1.99 -1.93 114.58 123.65 1waj h GLU 165 Ca 0.28 -0.26 -0.13 0.00 0.05 0.00 0.00 59.36 59.31 1waj h GLU 165 Cb -0.09 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 1waj h GLU 165 CO -0.06 0.83 -0.50 0.82 0.05 0.00 0.00 179.01 180.14 1waj h ILE 166 N 0.49 1.35 -0.39 -1.06 2.04 -1.72 -1.89 117.51 116.32 1waj h ILE 166 Ca 0.06 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.17 1waj h ILE 166 Cb 0.80 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1waj h ILE 166 CO 0.07 0.52 0.22 0.00 0.00 0.00 0.00 178.15 178.95 1waj h ALA 167 N 1.27 1.64 -0.09 1.87 0.00 -0.78 -2.04 119.26 121.13 1waj h ALA 167 Ca 0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1waj h ALA 167 Cb 0.96 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1waj h ALA 167 CO 0.08 0.31 -0.64 0.00 0.00 0.00 0.00 179.25 179.00 1waj h ALA 168 N 1.70 0.74 -2.41 0.00 0.00 -0.56 0.23 119.26 118.95 1waj h ALA 168 Ca 0.14 -0.56 -0.54 0.00 0.00 0.00 0.00 54.91 53.95 1waj h ALA 168 Cb 0.02 -0.08 0.20 0.00 0.00 0.00 0.00 17.79 17.92 1waj h ALA 168 CO -0.02 0.74 -0.18 1.63 0.00 0.00 0.00 179.25 181.41 1waj n LYS 169 N -3.87 0.05 -1.62 0.00 4.76 -0.95 -4.26 118.16 112.26 1waj n LYS 169 Ca -0.03 0.08 -0.29 0.00 -2.87 0.00 0.00 58.31 55.20 1waj n LYS 169 Cb 0.65 -2.07 0.13 0.00 -1.84 0.00 0.00 35.03 31.89 1waj n LYS 169 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1waj s LEU 170 N -2.59 2.13 0.17 -0.35 2.01 -1.26 -1.55 118.68 117.23 1waj s LEU 170 Ca 0.66 0.91 -0.19 0.00 0.01 0.00 0.00 54.13 55.51 1waj s LEU 170 Cb -0.28 -3.27 0.09 0.00 0.01 0.00 0.00 46.19 42.74 1waj s LEU 170 CO 0.58 -2.41 1.63 1.56 1.01 0.00 0.00 176.35 178.72 1waj h GLN 171 N -1.40 -0.14 0.00 1.70 1.08 -1.93 0.27 115.11 114.69 1waj h GLN 171 Ca -0.49 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1waj h GLN 171 Cb 1.33 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 1waj h GLN 171 CO 0.62 -0.09 0.00 0.93 -0.95 0.00 0.00 178.83 179.34 1waj h GLU 172 N -0.14 0.00 -0.72 1.46 3.07 -1.92 -2.02 114.58 114.30 1waj h GLU 172 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1waj h GLU 172 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1waj h GLU 172 CO -0.48 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.17 1waj n GLN 173 N -2.78 3.10 -2.28 2.33 3.00 0.04 -4.83 117.38 115.97 1waj n GLN 173 Ca 0.01 -1.78 -0.20 0.00 -0.01 0.00 0.00 57.00 55.02 1waj n GLN 173 Cb 0.25 -1.88 -0.02 0.00 0.00 0.00 0.00 30.24 28.60 1waj n GLN 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1waj n GLY 174 N 0.45 -0.13 3.98 1.08 0.00 -0.76 -4.73 105.19 105.09 1waj n GLY 174 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1waj n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1waj s GLY 175 N -2.15 1.79 0.03 -0.02 0.00 0.74 -4.93 107.32 102.77 1waj s GLY 175 Ca 0.00 -1.38 0.22 0.00 0.00 0.00 0.00 44.72 43.56 1waj s GLY 175 CO 0.00 -1.16 0.75 1.22 0.00 0.00 0.00 173.10 173.91 1waj n ASP 176 N -2.11 0.40 -0.58 1.64 8.00 -0.80 -4.17 116.55 118.93 1waj n ASP 176 Ca 0.06 -0.13 -0.07 0.00 0.71 0.00 0.00 54.79 55.36 1waj n ASP 176 Cb 0.59 1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 43.02 1waj n ASP 176 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1waj n GLU 177 N -2.16 -0.48 -1.72 -1.24 1.02 0.67 -4.95 120.64 111.77 1waj n GLU 177 Ca -0.01 0.64 -0.42 0.00 -0.02 0.00 0.00 57.16 57.35 1waj n GLU 177 Cb 0.50 -4.45 -0.03 0.00 -0.02 0.00 0.00 31.44 27.45 1waj n GLU 177 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1waj s VAL 178 N -2.27 3.03 0.14 2.62 1.01 -0.40 -4.89 120.40 119.64 1waj s VAL 178 Ca 0.00 0.12 -0.33 0.00 0.00 0.00 0.00 61.98 61.77 1waj s VAL 178 Cb 0.00 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 33.18 1waj s VAL 178 CO 0.00 -0.01 1.69 -2.65 0.00 0.00 0.00 175.10 174.14 1waj n PRO 179 N 7.22 2.43 -0.17 2.72 -0.02 -1.26 -4.62 135.00 141.30 1waj n PRO 179 Ca 0.19 0.88 -0.04 0.00 -2.02 0.00 0.00 63.50 62.51 1waj n PRO 179 Cb 0.41 -2.70 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 1waj n PRO 179 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1waj n SER 180 N 4.32 -0.43 -0.42 2.55 3.41 -1.26 -0.31 113.62 121.47 1waj n SER 180 Ca 0.18 0.96 0.39 0.00 -0.26 0.00 0.00 58.87 60.14 1waj n SER 180 Cb 0.32 -0.22 0.75 0.00 -0.26 0.00 0.00 64.21 64.80 1waj n SER 180 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1waj h GLU 181 N 0.00 0.03 0.16 4.33 9.09 -2.03 0.22 114.58 126.36 1waj h GLU 181 Ca 0.06 -0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.15 1waj h GLU 181 Cb 0.16 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1waj h GLU 181 CO -0.38 0.02 -1.59 0.82 0.05 0.00 0.00 179.01 177.92 1waj h ILE 182 N 0.03 1.10 -0.90 -1.06 2.04 -1.03 -3.40 117.51 114.28 1waj h ILE 182 Ca 0.67 -2.70 0.25 0.00 1.00 0.00 0.00 64.86 64.08 1waj h ILE 182 Cb 2.62 2.80 -0.15 0.00 -0.74 0.00 0.00 36.82 41.34 1waj h ILE 182 CO -0.04 0.83 0.24 0.40 0.00 0.00 0.00 178.15 179.58 1waj h ILE 183 N 0.09 0.27 -0.01 -0.67 2.04 -0.18 0.61 117.51 119.65 1waj h ILE 183 Ca -0.28 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1waj h ILE 183 Cb 2.06 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1waj h ILE 183 CO 0.18 0.03 0.00 -0.90 0.00 0.00 0.00 178.15 177.46 1waj n ASP 184 N -5.25 0.13 -0.00 1.72 5.68 -1.24 -3.21 116.55 114.37 1waj n ASP 184 Ca 0.23 -1.48 -0.22 0.00 -0.50 0.00 0.00 54.79 52.82 1waj n ASP 184 Cb 0.73 -0.01 -0.14 0.00 -1.14 0.00 0.00 41.12 40.57 1waj n ASP 184 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1waj h LYS 185 N 0.17 0.24 -6.43 0.11 1.79 0.00 -3.48 116.57 108.97 1waj h LYS 185 Ca 0.00 -0.41 -0.61 0.00 -2.18 0.00 0.00 60.65 57.45 1waj h LYS 185 Cb 0.04 0.15 0.12 0.00 -1.58 0.00 0.00 32.23 30.96 1waj h LYS 185 CO 0.00 1.20 0.02 -0.89 -1.08 0.00 0.00 179.45 178.70 1waj n ILE 186 N -3.70 2.02 -3.33 1.86 -0.00 -1.15 -3.36 119.36 111.70 1waj n ILE 186 Ca -0.30 -0.50 -0.26 0.00 -0.00 0.00 0.00 62.75 61.69 1waj n ILE 186 Cb 0.98 -0.88 -0.08 0.00 -0.00 0.00 0.00 39.64 39.66 1waj n ILE 186 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1waj n ILE 187 N 0.02 0.34 -1.55 1.39 2.08 0.16 -4.88 119.36 116.92 1waj n ILE 187 Ca 0.10 -4.38 -0.36 0.00 0.56 0.00 0.00 62.75 58.68 1waj n ILE 187 Cb 0.33 -1.98 0.09 0.00 -0.75 0.00 0.00 39.64 37.32 1waj n ILE 187 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1waj n TYR 188 N 1.43 1.70 -3.48 1.39 4.19 -1.26 -2.60 117.16 118.54 1waj n TYR 188 Ca 0.25 0.42 -0.01 0.00 3.31 0.00 0.00 57.90 61.87 1waj n TYR 188 Cb 0.48 -2.22 -0.04 0.00 0.49 0.00 0.00 39.34 38.05 1waj n TYR 188 CO 0.00 0.00 0.00 -1.64 0.91 0.00 0.00 176.86 176.13 1waj s MET 189 N -3.56 0.54 0.36 2.98 -1.94 -0.62 -4.86 119.30 112.20 1waj s MET 189 Ca 0.80 1.22 -0.01 0.00 -1.71 0.00 0.00 55.69 55.99 1waj s MET 189 Cb -0.36 0.64 -0.04 0.00 2.01 0.00 0.00 34.83 37.09 1waj s MET 189 CO 0.43 -0.36 0.58 -1.25 -0.01 0.00 0.00 175.02 174.41 1waj s PRO 190 N 2.84 3.51 -0.01 2.03 0.05 -1.26 -1.16 135.00 141.00 1waj s PRO 190 Ca 0.04 -0.22 -0.07 0.00 0.05 0.00 0.00 61.00 60.80 1waj s PRO 190 Cb -0.13 -2.62 0.00 0.00 0.05 0.00 0.00 34.50 31.80 1waj s PRO 190 CO -0.19 0.10 0.15 -0.06 0.05 0.00 0.00 177.00 177.05 1waj s PHE 191 N -2.36 0.01 -0.06 0.56 0.40 0.61 -4.85 117.98 112.29 1waj s PHE 191 Ca 0.41 -0.05 -0.20 0.00 -0.60 0.00 0.00 56.93 56.50 1waj s PHE 191 Cb -0.10 -0.03 -0.15 0.00 0.51 0.00 0.00 43.02 43.25 1waj s PHE 191 CO 0.37 -0.27 0.80 -0.44 0.70 0.00 0.00 175.22 176.38 1waj h ASP 192 N 4.46 -0.17 -2.10 1.36 3.32 -1.94 -0.58 116.42 120.76 1waj h ASP 192 Ca -0.30 -0.35 -0.58 0.00 0.02 0.00 0.00 57.03 55.82 1waj h ASP 192 Cb 1.19 0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.66 1waj h ASP 192 CO 0.40 0.40 -0.58 0.54 -1.72 0.00 0.00 179.24 178.28 1waj s ASN 193 N -5.50 3.35 -0.01 6.45 4.22 -1.26 -2.39 114.94 119.80 1waj s ASN 193 Ca -0.12 -1.44 -0.25 0.00 -2.14 0.00 0.00 52.86 48.91 1waj s ASN 193 Cb 0.00 -0.10 -0.18 0.00 1.28 0.00 0.00 41.25 42.25 1waj s ASN 193 CO 0.45 -0.59 1.25 -0.08 -2.04 0.00 0.00 177.10 176.08 1waj h GLU 194 N 1.82 -0.13 -1.04 3.55 4.81 -1.93 -3.03 114.58 118.64 1waj h GLU 194 Ca -0.42 0.01 0.37 0.00 -0.13 0.00 0.00 59.36 59.18 1waj h GLU 194 Cb 1.25 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 30.51 1waj h GLU 194 CO 0.75 0.27 0.60 0.87 -0.73 0.00 0.00 179.01 180.76 1waj h LYS 195 N -0.56 0.18 -0.06 1.92 1.57 -1.99 0.54 116.57 118.16 1waj h LYS 195 Ca -0.01 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1waj h LYS 195 Cb 0.46 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1waj h LYS 195 CO 0.02 0.12 -0.22 0.93 -0.57 0.00 0.00 179.45 179.73 1waj h GLU 196 N 0.19 0.26 -0.39 3.15 5.08 -1.98 -1.55 114.58 119.34 1waj h GLU 196 Ca 0.78 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 59.00 1waj h GLU 196 Cb 1.98 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 31.19 1waj h GLU 196 CO -0.63 0.83 -0.51 1.25 -1.00 0.00 0.00 179.01 178.94 1waj h LEU 197 N -0.25 -1.70 0.99 1.33 7.12 0.15 0.61 115.31 123.56 1waj h LEU 197 Ca -0.01 0.23 -0.05 0.00 0.13 0.00 0.00 57.88 58.18 1waj h LEU 197 Cb 0.86 0.71 0.01 0.00 -0.53 0.00 0.00 40.66 41.71 1waj h LEU 197 CO 0.05 -0.40 -0.48 -0.07 -0.13 0.00 0.00 178.44 177.40 1waj h LEU 198 N -0.39 -1.15 -0.83 2.25 3.38 -1.26 -2.01 115.31 115.30 1waj h LEU 198 Ca 0.09 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1waj h LEU 198 Cb 0.60 0.30 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 1waj h LEU 198 CO -0.58 -0.81 -0.39 0.23 0.09 0.00 0.00 178.44 176.98 1waj n MET 199 N -5.67 -0.26 -0.06 1.13 2.81 -0.58 0.57 117.12 115.07 1waj n MET 199 Ca -0.17 1.27 -0.10 0.00 -1.81 0.00 0.00 57.70 56.89 1waj n MET 199 Cb 0.53 -1.87 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 1waj n MET 199 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1waj h GLU 200 N 0.00 0.31 -0.66 0.03 4.39 -0.83 -2.13 114.58 115.69 1waj h GLU 200 Ca 0.23 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.97 1waj h GLU 200 Cb 0.44 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 1waj h GLU 200 CO -0.81 0.20 0.37 -0.92 -1.16 0.00 0.00 179.01 176.70 1waj h TYR 201 N 0.31 0.68 -0.21 4.33 3.20 0.90 0.14 116.97 126.32 1waj h TYR 201 Ca 0.09 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1waj h TYR 201 Cb -0.03 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 37.97 1waj h TYR 201 CO -0.06 0.33 -0.16 1.25 -1.64 0.00 0.00 178.16 177.88 1waj h LEU 202 N 0.69 -0.51 -1.54 2.82 5.85 -0.16 0.08 115.31 122.52 1waj h LEU 202 Ca 0.29 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1waj h LEU 202 Cb 0.16 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1waj h LEU 202 CO -0.17 -0.20 0.29 0.78 -0.34 0.00 0.00 178.44 178.80 1waj h ASN 203 N -0.16 0.52 -0.52 1.25 2.35 -0.60 0.60 115.58 119.02 1waj h ASN 203 Ca 0.12 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1waj h ASN 203 Cb 0.34 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1waj h ASN 203 CO -0.31 0.38 0.31 0.15 -1.65 0.00 0.00 177.43 176.31 1waj h PHE 204 N 0.61 0.69 0.65 1.19 3.57 0.60 -1.59 116.94 122.66 1waj h PHE 204 Ca 0.16 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1waj h PHE 204 Cb -0.05 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.47 1waj h PHE 204 CO 0.00 0.48 -0.31 -1.49 -2.23 0.00 0.00 178.31 174.75 1waj h TRP 205 N 0.69 -0.82 -0.14 0.41 4.06 0.89 0.54 115.95 121.59 1waj h TRP 205 Ca 0.19 -0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.16 1waj h TRP 205 Cb -0.00 0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 1waj h TRP 205 CO -0.03 -0.51 0.10 1.96 -3.56 0.00 0.00 178.44 176.41 1waj h GLN 206 N -0.88 0.00 0.04 0.49 4.20 -1.28 1.20 115.11 118.87 1waj h GLN 206 Ca -0.09 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.40 1waj h GLN 206 Cb 0.68 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1waj h GLN 206 CO 0.15 0.00 -1.03 0.37 -0.67 0.00 0.00 178.83 177.65 1waj h GLN 207 N 0.00 0.11 -1.18 1.46 4.15 -0.50 -3.34 115.11 115.82 1waj h GLN 207 Ca 0.07 -0.16 -0.44 0.00 0.77 0.00 0.00 58.65 58.88 1waj h GLN 207 Cb 0.27 0.06 -0.41 0.00 0.21 0.00 0.00 27.48 27.61 1waj h GLN 207 CO -0.00 1.03 -1.03 1.63 -1.93 0.00 0.00 178.83 178.53 1waj n LYS 208 N -3.47 1.97 -1.58 1.69 4.76 0.18 -5.07 118.16 116.64 1waj n LYS 208 Ca -0.03 -3.70 -0.55 0.00 -2.87 0.00 0.00 58.31 51.16 1waj n LYS 208 Cb 0.93 -1.61 -0.07 0.00 -1.84 0.00 0.00 35.03 32.43 1waj n LYS 208 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1waj n THR 209 N -0.22 0.26 -1.09 -0.18 -2.24 0.40 -4.81 114.28 106.40 1waj n THR 209 Ca 0.20 -0.12 -0.32 0.00 -2.27 0.00 0.00 64.05 61.54 1waj n THR 209 Cb 0.76 -1.36 0.12 0.00 -2.10 0.00 0.00 70.33 67.75 1waj n THR 209 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1waj s PRO 210 N 4.73 1.77 -0.04 -0.78 0.02 -1.26 -4.99 135.00 134.45 1waj s PRO 210 Ca 1.04 1.42 -0.08 0.00 0.02 0.00 0.00 61.00 63.40 1waj s PRO 210 Cb -1.00 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 1waj s PRO 210 CO 0.59 -2.04 -0.15 0.28 -0.33 0.00 0.00 177.00 175.35 1waj n VAL 211 N -3.63 1.04 -3.92 3.83 0.31 0.40 -4.76 118.33 111.60 1waj n VAL 211 Ca 0.11 0.26 -0.31 0.00 -0.01 0.00 0.00 64.34 64.39 1waj n VAL 211 Cb 0.52 -1.84 -0.04 0.00 -0.91 0.00 0.00 33.84 31.57 1waj n VAL 211 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1waj s ILE 212 N -2.14 5.39 -0.10 2.52 1.01 -1.14 -0.44 121.20 126.30 1waj s ILE 212 Ca -0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 1waj s ILE 212 Cb 0.02 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1waj s ILE 212 CO 0.18 0.14 -0.03 -0.22 0.00 0.00 0.00 174.94 175.02 1waj s LEU 213 N -2.51 0.91 0.00 2.97 2.96 -0.99 -1.64 118.68 120.38 1waj s LEU 213 Ca 0.35 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 1waj s LEU 213 Cb -0.13 -0.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.94 1waj s LEU 213 CO 0.28 -0.18 0.00 0.41 -1.32 0.00 0.00 176.35 175.54 1waj n THR 214 N 5.05 0.00 -1.64 3.68 -1.04 -0.67 -1.00 114.28 118.67 1waj n THR 214 Ca -0.09 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1waj n THR 214 Cb 0.50 0.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1waj n THR 214 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1waj n GLY 215 N 4.00 -0.56 3.31 3.41 0.00 -1.26 -2.56 105.19 111.53 1waj n GLY 215 Ca -0.01 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1waj n GLY 215 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1waj s TRP 216 N -2.29 2.92 -2.03 1.61 -0.11 -1.26 -1.86 118.94 115.91 1waj s TRP 216 Ca 0.00 -0.91 0.00 0.00 1.22 0.00 0.00 56.10 56.41 1waj s TRP 216 Cb 0.00 -2.04 0.00 0.00 -1.50 0.00 0.00 33.47 29.93 1waj s TRP 216 CO 0.00 -0.49 0.00 -1.71 -4.62 0.00 0.00 176.95 170.13 1waj n ASN 217 N 4.50 -5.54 -0.19 5.86 2.85 -1.26 -4.85 115.26 116.64 1waj n ASN 217 Ca -0.18 0.35 -0.06 0.00 -0.11 0.00 0.00 54.58 54.59 1waj n ASN 217 Cb 0.51 -4.75 0.04 0.00 1.24 0.00 0.00 39.78 36.83 1waj n ASN 217 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 1waj h VAL 218 N 0.00 1.09 -0.09 3.44 3.04 -1.91 -1.13 116.25 120.68 1waj h VAL 218 Ca -0.43 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 1waj h VAL 218 Cb 1.33 0.33 -0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1waj h VAL 218 CO 0.60 0.13 0.04 -0.08 -1.01 0.00 0.00 177.57 177.24 1waj h GLU 219 N 0.69 0.14 0.00 4.17 4.81 -1.93 0.27 114.58 122.73 1waj h GLU 219 Ca 0.22 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1waj h GLU 219 Cb -0.01 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1waj h GLU 219 CO -0.08 0.25 -0.46 0.66 -0.73 0.00 0.00 179.01 178.65 1waj h SER 220 N -0.00 0.00 0.00 1.04 4.64 -1.88 -3.38 113.55 113.97 1waj h SER 220 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1waj h SER 220 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1waj h SER 220 CO -0.00 0.46 0.00 0.33 -0.87 0.00 0.00 176.83 176.74 1waj n PHE 221 N -3.34 0.00 -0.14 4.77 -0.00 -0.44 -4.71 117.46 113.60 1waj n PHE 221 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.40 1waj n PHE 221 Cb 0.64 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 40.07 1waj n PHE 221 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1waj h ASP 222 N 0.00 -1.04 0.15 -2.13 3.32 -1.44 -1.87 116.42 113.42 1waj h ASP 222 Ca 0.00 0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1waj h ASP 222 Cb 0.00 0.44 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1waj h ASP 222 CO 0.00 -0.16 -0.38 0.40 -1.72 0.00 0.00 179.24 177.37 1waj h ILE 223 N -0.10 0.21 -0.82 0.35 2.04 -1.23 -0.88 117.51 117.08 1waj h ILE 223 Ca 0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.07 1waj h ILE 223 Cb 0.26 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.45 1waj h ILE 223 CO -0.39 0.00 0.39 -0.65 0.00 0.00 0.00 178.15 177.49 1waj h PRO 224 N -0.64 0.52 0.71 2.37 0.11 -1.71 -1.83 132.00 131.53 1waj h PRO 224 Ca 0.02 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1waj h PRO 224 Cb 0.65 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1waj h PRO 224 CO -0.21 0.35 -0.34 -0.92 -0.21 0.00 0.00 178.00 176.67 1waj h TYR 225 N 0.54 -0.88 -0.72 0.65 5.03 -0.47 -0.93 116.97 120.19 1waj h TYR 225 Ca 0.46 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.90 1waj h TYR 225 Cb 0.69 0.29 -0.13 0.00 1.55 0.00 0.00 36.73 39.13 1waj h TYR 225 CO -0.12 -0.53 -0.09 0.28 -1.32 0.00 0.00 178.16 176.38 1waj h VAL 226 N -1.06 0.33 0.31 1.81 2.07 -0.96 0.41 116.25 119.16 1waj h VAL 226 Ca -0.10 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1waj h VAL 226 Cb 0.75 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1waj h VAL 226 CO 0.16 0.01 -0.41 0.22 0.02 0.00 0.00 177.57 177.57 1waj h TYR 227 N 0.05 -1.14 0.09 1.57 3.20 -1.16 -2.16 116.97 117.41 1waj h TYR 227 Ca 0.37 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.25 1waj h TYR 227 Cb 0.61 0.46 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1waj h TYR 227 CO -0.49 -0.52 -0.07 -0.91 -1.64 0.00 0.00 178.16 174.53 1waj h ASN 228 N -0.74 -0.18 -0.25 -2.11 2.35 -0.42 -1.46 115.58 112.76 1waj h ASN 228 Ca -0.04 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1waj h ASN 228 Cb 0.67 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.04 1waj h ASN 228 CO -0.10 -0.11 -0.45 -0.09 -1.65 0.00 0.00 177.43 175.03 1waj h ARG 229 N -0.17 -0.36 -0.54 0.81 9.65 -0.92 0.83 114.38 123.69 1waj h ARG 229 Ca -0.00 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.01 1waj h ARG 229 Cb 0.15 0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 28.72 1waj h ARG 229 CO -0.01 -0.24 -0.03 0.82 2.80 0.00 0.00 179.97 183.31 1waj h ILE 230 N -0.37 0.54 -0.56 1.20 2.04 -1.37 0.28 117.51 119.27 1waj h ILE 230 Ca 0.05 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.96 1waj h ILE 230 Cb 0.51 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1waj h ILE 230 CO -0.44 0.02 0.21 0.50 0.00 0.00 0.00 178.15 178.44 1waj h LYS 231 N 0.09 0.38 -0.86 2.37 3.64 0.16 0.21 116.57 122.55 1waj h LYS 231 Ca 0.27 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1waj h LYS 231 Cb 0.42 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1waj h LYS 231 CO -0.48 0.25 0.54 -0.91 -2.27 0.00 0.00 179.45 176.58 1waj h ASN 232 N 0.39 0.85 0.00 4.20 -0.26 0.27 0.29 115.58 121.33 1waj h ASN 232 Ca 0.28 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 1waj h ASN 232 Cb 0.31 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1waj h ASN 232 CO -0.27 0.55 -1.98 2.30 -1.06 0.00 0.00 177.43 176.97 1waj n ILE 233 N -4.61 0.07 0.04 2.81 -5.35 -0.81 -4.58 119.36 106.93 1waj n ILE 233 Ca 0.12 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1waj n ILE 233 Cb 0.17 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 1waj n ILE 233 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1waj n PHE 234 N -2.25 0.00 -0.19 4.28 3.01 0.69 -5.10 117.46 117.89 1waj n PHE 234 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1waj n PHE 234 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 1waj n PHE 234 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1waj n GLY 235 N 0.35 -3.48 0.50 1.37 0.00 0.10 -4.44 105.19 99.58 1waj n GLY 235 Ca 0.00 -0.90 0.42 0.00 0.00 0.00 0.00 46.02 45.54 1waj n GLY 235 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1waj n GLU 236 N -0.34 -0.03 -0.36 1.61 2.13 -1.24 0.38 120.64 122.78 1waj n GLU 236 Ca 0.00 1.25 0.31 0.00 0.66 0.00 0.00 57.16 59.37 1waj n GLU 236 Cb 0.00 -2.49 0.62 0.00 0.27 0.00 0.00 31.44 29.84 1waj n GLU 236 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1waj h SER 237 N 0.00 0.25 0.00 4.31 0.02 -1.94 -1.24 113.55 114.95 1waj h SER 237 Ca 0.89 0.06 -0.36 0.00 -0.84 0.00 0.00 61.79 61.55 1waj h SER 237 Cb 2.94 0.03 -0.07 0.00 0.14 0.00 0.00 62.40 65.44 1waj h SER 237 CO -0.43 0.00 -2.36 1.07 -1.14 0.00 0.00 176.83 173.98 1waj n THR 238 N -4.47 1.36 -0.07 -2.27 5.66 0.16 -4.36 114.28 110.29 1waj n THR 238 Ca 0.28 -0.78 0.11 0.00 -3.05 0.00 0.00 64.05 60.62 1waj n THR 238 Cb 1.15 -0.65 0.50 0.00 -1.55 0.00 0.00 70.33 69.77 1waj n THR 238 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1waj h ALA 239 N 0.78 2.00 -0.16 1.79 0.00 -1.10 -0.50 119.26 122.07 1waj h ALA 239 Ca -0.54 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.41 1waj h ALA 239 Cb 2.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 1waj h ALA 239 CO 0.01 -0.12 0.27 0.87 0.00 0.00 0.00 179.25 180.28 1waj h LYS 240 N 0.41 0.00 0.00 0.00 1.57 -1.60 -2.46 116.57 114.49 1waj h LYS 240 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1waj h LYS 240 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1waj h LYS 240 CO -0.07 0.00 0.17 0.00 -0.57 0.00 0.00 179.45 178.98 1waj h ARG 241 N 0.00 0.00 0.00 3.15 3.08 -1.35 0.31 114.38 119.57 1waj h ARG 241 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1waj h ARG 241 Cb 0.61 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1waj h ARG 241 CO -0.00 0.00 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.76 1waj h LEU 242 N 0.00 0.00 -9.25 3.04 3.38 -1.67 -3.39 115.31 107.42 1waj h LEU 242 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1waj h LEU 242 Cb 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 1waj h LEU 242 CO 0.00 0.07 0.21 -0.55 0.09 0.00 0.00 178.44 178.26 1waj s SER 243 N -6.14 6.93 0.00 -0.43 0.15 0.11 -4.88 113.70 109.43 1waj s SER 243 Ca -0.04 1.12 0.05 0.00 0.70 0.00 0.00 55.95 57.79 1waj s SER 243 Cb 0.14 -2.42 0.24 0.00 -1.71 0.00 0.00 66.02 62.27 1waj s SER 243 CO 0.57 -0.25 1.01 -0.81 1.20 0.00 0.00 173.24 174.96 1waj n PRO 244 N 4.55 0.06 -0.01 5.44 -0.04 -1.23 0.18 135.00 143.94 1waj n PRO 244 Ca 0.01 0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.75 1waj n PRO 244 Cb 0.50 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1waj n PRO 244 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1waj n HIS 245 N -1.32 0.00 -3.66 0.54 8.25 -1.26 -5.00 115.22 112.77 1waj n HIS 245 Ca 0.02 -0.50 -0.27 0.00 -0.26 0.00 0.00 57.72 56.71 1waj n HIS 245 Cb 0.04 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 1waj n HIS 245 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1waj n ARG 246 N -0.54 -3.06 -4.99 -0.41 1.74 0.13 -4.95 116.66 104.57 1waj n ARG 246 Ca 0.01 0.38 -0.32 0.00 -0.77 0.00 0.00 57.85 57.15 1waj n ARG 246 Cb 0.31 -5.07 -0.15 0.00 -1.02 0.00 0.00 32.46 26.53 1waj n ARG 246 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1waj s LYS 247 N -6.32 2.73 0.02 5.56 2.36 -1.26 -4.89 119.74 117.94 1waj s LYS 247 Ca 0.51 -0.77 -0.12 0.00 -2.55 0.00 0.00 55.97 53.05 1waj s LYS 247 Cb -0.28 -2.36 0.01 0.00 -1.05 0.00 0.00 37.83 34.15 1waj s LYS 247 CO 0.63 0.44 0.24 -0.08 1.55 0.00 0.00 175.35 178.13 1waj s THR 248 N -0.27 0.08 -0.07 3.43 -1.32 -1.26 -3.20 115.64 113.03 1waj s THR 248 Ca 0.01 -0.70 -0.03 0.00 -1.21 0.00 0.00 61.69 59.76 1waj s THR 248 Cb -0.13 -0.77 0.04 0.00 -1.51 0.00 0.00 72.50 70.14 1waj s THR 248 CO 0.03 -0.39 0.13 -0.60 -2.21 0.00 0.00 174.62 171.59 1waj s ARG 249 N -2.05 0.03 0.34 7.08 3.52 -1.21 -5.04 118.95 121.63 1waj s ARG 249 Ca -0.09 0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 55.89 1waj s ARG 249 Cb -0.03 -0.27 -0.06 0.00 -1.56 0.00 0.00 34.95 33.03 1waj s ARG 249 CO -0.01 -0.25 0.65 0.08 -0.81 0.00 0.00 175.30 174.96 1waj s VAL 250 N 1.82 4.91 -0.20 7.11 1.01 -1.26 -1.80 120.40 131.99 1waj s VAL 250 Ca -0.02 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1waj s VAL 250 Cb -0.12 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1waj s VAL 250 CO -0.05 -0.40 0.48 -0.54 0.00 0.00 0.00 175.10 174.58 1waj s LYS 251 N -3.66 0.48 0.11 2.72 1.02 -0.79 -4.97 119.74 114.65 1waj s LYS 251 Ca 0.47 0.87 -0.03 0.00 0.02 0.00 0.00 55.97 57.31 1waj s LYS 251 Cb -0.11 0.04 -0.05 0.00 -0.52 0.00 0.00 37.83 37.20 1waj s LYS 251 CO 0.30 -0.15 0.31 0.08 -0.92 0.00 0.00 175.35 174.97 1waj s VAL 252 N 1.35 5.26 0.00 3.17 1.01 -1.26 -0.59 120.40 129.33 1waj s VAL 252 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1waj s VAL 252 Cb -0.07 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1waj s VAL 252 CO -0.13 0.07 0.00 -0.38 0.00 0.00 0.00 175.10 174.66 1waj n ILE 253 N 0.13 0.00 -1.47 2.22 2.08 -0.46 -4.96 119.36 116.92 1waj n ILE 253 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 1waj n ILE 253 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.40 1waj n ILE 253 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1waj n GLU 254 N 0.00 0.00 0.00 0.38 1.02 -1.22 -4.09 120.64 116.74 1waj n GLU 254 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1waj n GLU 254 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1waj n GLU 254 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1waj n ASN 255 N 0.00 0.00 0.18 1.62 2.85 -1.26 -4.18 115.26 114.47 1waj n ASN 255 Ca 0.00 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.52 1waj n ASN 255 Cb 0.00 0.00 0.28 0.00 1.24 0.00 0.00 39.78 41.30 1waj n ASN 255 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 1waj h MET 256 N 0.00 0.00 0.00 1.20 2.86 -2.00 -3.35 114.93 113.63 1waj h MET 256 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1waj h MET 256 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1waj h MET 256 CO 0.00 0.40 0.00 0.66 1.06 0.00 0.00 176.91 179.03 1waj n TYR 257 N -3.47 0.00 -0.95 -0.22 4.01 -1.26 -5.01 117.16 110.26 1waj n TYR 257 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1waj n TYR 257 Cb 0.55 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1waj n TYR 257 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1waj n GLY 258 N -0.96 0.51 2.96 2.72 0.00 -1.26 -4.72 105.19 104.44 1waj n GLY 258 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 1waj n GLY 258 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1waj n SER 259 N 4.31 0.09 -4.27 1.61 3.41 -1.26 -3.40 113.62 114.10 1waj n SER 259 Ca 0.00 -1.68 -0.44 0.00 -0.26 0.00 0.00 58.87 56.49 1waj n SER 259 Cb 0.00 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1waj n SER 259 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1waj s ARG 260 N 4.33 3.14 0.74 4.33 3.52 -1.26 -4.81 118.95 128.95 1waj s ARG 260 Ca 0.09 -2.23 -0.11 0.00 -0.13 0.00 0.00 55.73 53.35 1waj s ARG 260 Cb 0.02 -4.21 0.04 0.00 -1.56 0.00 0.00 34.95 29.23 1waj s ARG 260 CO 0.05 -1.26 1.09 -1.21 -0.81 0.00 0.00 175.30 173.15 1waj s GLU 261 N 0.58 2.55 -0.10 5.12 2.02 -1.26 -1.35 118.70 126.27 1waj s GLU 261 Ca 0.13 0.60 -0.06 0.00 0.02 0.00 0.00 54.97 55.66 1waj s GLU 261 Cb -0.18 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.11 1waj s GLU 261 CO -0.04 -1.28 0.23 0.96 0.02 0.00 0.00 175.26 175.15 1waj s ILE 262 N -3.23 -0.03 -0.17 -1.63 -4.36 0.24 -4.91 121.20 107.11 1waj s ILE 262 Ca 0.59 0.11 -0.05 0.00 -0.26 0.00 0.00 60.65 61.03 1waj s ILE 262 Cb -0.13 -0.35 -0.03 0.00 1.25 0.00 0.00 42.46 43.20 1waj s ILE 262 CO 0.53 0.04 0.01 -0.63 0.24 0.00 0.00 174.94 175.14 1waj s ILE 263 N 0.92 4.30 -0.27 8.37 1.09 -1.26 -1.89 121.20 132.45 1waj s ILE 263 Ca -0.07 -0.21 -0.14 0.00 -1.10 0.00 0.00 60.65 59.13 1waj s ILE 263 Cb -0.08 -2.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 1waj s ILE 263 CO -0.06 0.47 0.34 0.42 -0.10 0.00 0.00 174.94 176.01 1waj s THR 264 N 0.44 5.20 -0.58 2.92 -4.23 -0.74 -4.97 115.64 113.67 1waj s THR 264 Ca -0.00 0.48 -0.19 0.00 -1.18 0.00 0.00 61.69 60.79 1waj s THR 264 Cb -0.13 -3.67 0.09 0.00 1.34 0.00 0.00 72.50 70.13 1waj s THR 264 CO 0.02 0.17 0.72 -0.76 -0.54 0.00 0.00 174.62 174.23 1waj s LEU 265 N 2.01 5.15 0.03 4.79 1.43 -1.26 -3.28 118.68 127.54 1waj s LEU 265 Ca 0.13 -1.24 -0.34 0.00 -1.03 0.00 0.00 54.13 51.66 1waj s LEU 265 Cb -0.16 -2.36 -0.12 0.00 0.03 0.00 0.00 46.19 43.58 1waj s LEU 265 CO 0.10 -1.11 1.76 0.49 0.23 0.00 0.00 176.35 177.83 1waj n PHE 266 N 6.49 2.34 0.00 0.29 3.01 -1.19 -1.28 117.46 127.12 1waj n PHE 266 Ca -0.08 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1waj n PHE 266 Cb 0.44 -2.63 0.00 0.00 -0.01 0.00 0.00 39.48 37.28 1waj n PHE 266 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1waj n GLY 267 N 4.01 1.97 3.38 1.37 0.00 -1.26 -3.58 105.19 111.08 1waj n GLY 267 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1waj n GLY 267 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1waj s ILE 268 N -2.06 2.05 -0.83 -0.61 -4.36 -0.40 -4.79 121.20 110.20 1waj s ILE 268 Ca 0.00 -2.07 -0.08 0.00 -0.26 0.00 0.00 60.65 58.24 1waj s ILE 268 Cb 0.00 -2.02 0.21 0.00 1.25 0.00 0.00 42.46 41.91 1waj s ILE 268 CO 0.00 -0.32 0.74 -0.44 0.24 0.00 0.00 174.94 175.16 1waj s SER 269 N -2.90 6.33 0.25 4.36 0.01 0.41 -4.71 113.70 117.45 1waj s SER 269 Ca 0.20 -3.05 -0.30 0.00 1.31 0.00 0.00 55.95 54.11 1waj s SER 269 Cb -0.05 -2.07 -0.11 0.00 0.21 0.00 0.00 66.02 64.00 1waj s SER 269 CO 0.09 -0.41 1.58 -0.69 0.41 0.00 0.00 173.24 174.22 1waj s VAL 270 N -0.37 2.25 -0.42 3.43 1.01 -1.26 -2.35 120.40 122.69 1waj s VAL 270 Ca 0.21 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.46 1waj s VAL 270 Cb -0.12 -3.13 0.22 0.00 0.00 0.00 0.00 36.38 33.35 1waj s VAL 270 CO -0.08 0.03 0.54 0.18 0.00 0.00 0.00 175.10 175.77 1waj n LEU 271 N 2.71 -0.76 -4.59 3.92 4.77 -0.17 -4.71 117.00 118.18 1waj n LEU 271 Ca 0.10 -4.26 -0.52 0.00 -0.03 0.00 0.00 56.01 51.30 1waj n LEU 271 Cb 0.38 0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 42.06 1waj n LEU 271 CO 0.63 1.99 0.89 -0.67 -1.33 0.00 0.00 177.39 178.90 1waj n ASP 272 N 1.99 1.60 0.23 -1.43 -0.08 -1.26 -4.50 116.55 113.10 1waj n ASP 272 Ca 0.22 1.12 0.11 0.00 -1.51 0.00 0.00 54.79 54.73 1waj n ASP 272 Cb 0.53 -1.18 0.48 0.00 2.34 0.00 0.00 41.12 43.29 1waj n ASP 272 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1waj h TYR 273 N 4.50 0.00 -0.54 -0.67 5.03 -1.72 -1.51 116.97 122.06 1waj h TYR 273 Ca -0.48 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 60.78 1waj h TYR 273 Cb 1.34 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.59 1waj h TYR 273 CO 0.60 0.19 0.12 0.97 -1.32 0.00 0.00 178.16 178.71 1waj h ILE 274 N 0.00 1.23 0.06 1.81 2.10 -1.88 0.46 117.51 121.28 1waj h ILE 274 Ca -0.00 -0.84 -0.00 0.00 1.08 0.00 0.00 64.86 65.10 1waj h ILE 274 Cb 0.72 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.14 1waj h ILE 274 CO 0.02 0.31 -0.03 0.44 -1.08 0.00 0.00 178.15 177.82 1waj h ASP 275 N 0.80 -0.06 -0.92 2.19 3.32 -1.88 -0.74 116.42 119.13 1waj h ASP 275 Ca 0.17 -0.58 0.26 0.00 0.02 0.00 0.00 57.03 56.90 1waj h ASP 275 Cb 0.31 0.02 -0.16 0.00 0.22 0.00 0.00 39.33 39.72 1waj h ASP 275 CO 0.00 0.64 0.18 0.25 -1.72 0.00 0.00 179.24 178.59 1waj h LEU 276 N -0.86 -0.16 0.08 1.55 5.85 -1.16 0.22 115.31 120.84 1waj h LEU 276 Ca -0.01 0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1waj h LEU 276 Cb 0.64 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1waj h LEU 276 CO 0.01 -0.25 -0.04 0.22 -0.34 0.00 0.00 178.44 178.04 1waj h TYR 277 N 0.11 -0.10 -0.86 1.25 3.20 -0.90 -2.77 116.97 116.90 1waj h TYR 277 Ca 0.59 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.68 1waj h TYR 277 Cb 1.23 0.03 -0.14 0.00 1.54 0.00 0.00 36.73 39.39 1waj h TYR 277 CO -0.33 0.42 0.21 0.87 -1.64 0.00 0.00 178.16 177.69 1waj h LYS 278 N -0.71 0.19 0.04 1.82 1.57 0.74 -0.50 116.57 119.73 1waj h LYS 278 Ca -0.01 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.51 1waj h LYS 278 Cb 0.57 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1waj h LYS 278 CO 0.02 0.13 -1.06 0.87 -0.57 0.00 0.00 179.45 178.84 1waj h LYS 279 N 0.20 0.46 -0.01 3.15 1.79 -0.72 -3.39 116.57 118.06 1waj h LYS 279 Ca 0.54 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1waj h LYS 279 Cb 1.06 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1waj h LYS 279 CO -0.66 1.20 -0.17 1.19 -1.08 0.00 0.00 179.45 179.93 1waj n PHE 280 N -3.73 0.00 -0.27 -1.35 3.01 -1.02 -4.70 117.46 109.40 1waj n PHE 280 Ca -0.09 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.50 1waj n PHE 280 Cb 0.90 0.00 0.39 0.00 -0.01 0.00 0.00 39.48 40.76 1waj n PHE 280 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1waj h SER 281 N 1.47 0.63 -1.37 4.37 4.64 -1.29 -3.46 113.55 118.55 1waj h SER 281 Ca 0.00 0.04 -0.30 0.00 -0.47 0.00 0.00 61.79 61.06 1waj h SER 281 Cb 0.40 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.33 1waj h SER 281 CO 0.00 0.31 -0.33 0.49 -0.87 0.00 0.00 176.83 176.43 1waj n PHE 282 N -4.56 -0.33 -3.54 4.77 3.72 -1.26 -4.96 117.46 111.30 1waj n PHE 282 Ca 0.18 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.40 1waj n PHE 282 Cb 0.49 -2.87 -0.13 0.00 -0.94 0.00 0.00 39.48 36.03 1waj n PHE 282 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1waj s THR 283 N -2.64 -0.32 -0.10 4.37 -4.23 -1.26 -5.12 115.64 106.34 1waj s THR 283 Ca 0.00 -0.01 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1waj s THR 283 Cb 0.00 -0.60 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 1waj s THR 283 CO 0.00 -0.12 1.19 0.21 -0.54 0.00 0.00 174.62 175.36 1waj s ASN 284 N 2.33 7.05 0.28 3.99 3.84 -1.26 -5.04 114.94 126.13 1waj s ASN 284 Ca 0.06 1.73 0.08 0.00 0.21 0.00 0.00 52.86 54.94 1waj s ASN 284 Cb -0.15 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 37.96 1waj s ASN 284 CO -0.11 -0.62 0.11 -1.10 -2.79 0.00 0.00 177.10 172.60 1waj s GLN 285 N 2.55 2.56 0.02 0.43 1.11 -1.26 -5.06 119.66 120.00 1waj s GLN 285 Ca 0.54 -1.30 0.17 0.00 0.01 0.00 0.00 55.36 54.78 1waj s GLN 285 Cb -0.23 -2.33 -0.17 0.00 -1.01 0.00 0.00 33.01 29.27 1waj s GLN 285 CO 0.19 0.32 0.70 -0.35 0.01 0.00 0.00 175.29 176.15 1waj n PRO 286 N -1.07 0.63 -3.90 2.91 -0.04 -1.26 -4.96 135.00 127.32 1waj n PRO 286 Ca -0.06 0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 1waj n PRO 286 Cb 0.59 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 1waj n PRO 286 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1waj s SER 287 N -5.66 0.10 -0.25 3.54 0.15 -1.26 -4.74 113.70 105.58 1waj s SER 287 Ca -0.04 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 56.33 1waj s SER 287 Cb 0.09 0.21 0.45 0.00 -1.71 0.00 0.00 66.02 65.06 1waj s SER 287 CO 0.82 -0.44 1.30 -1.22 1.20 0.00 0.00 173.24 174.90 1waj n TYR 288 N 1.11 0.66 -2.27 3.44 4.02 -1.26 -4.80 117.16 118.06 1waj n TYR 288 Ca -0.21 -1.64 -0.42 0.00 -0.01 0.00 0.00 57.90 55.63 1waj n TYR 288 Cb 0.57 -0.35 -0.03 0.00 -0.02 0.00 0.00 39.34 39.51 1waj n TYR 288 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1waj s SER 289 N -3.06 6.94 0.47 7.72 1.04 -1.26 -4.88 113.70 120.67 1waj s SER 289 Ca 0.42 2.26 0.29 0.00 0.48 0.00 0.00 55.95 59.40 1waj s SER 289 Cb 0.39 -2.59 1.37 0.00 0.10 0.00 0.00 66.02 65.29 1waj s SER 289 CO -0.04 -0.54 1.74 0.25 0.98 0.00 0.00 173.24 175.63 1waj h LEU 290 N 6.19 0.22 0.00 2.42 5.85 -2.00 -2.32 115.31 125.67 1waj h LEU 290 Ca -0.43 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1waj h LEU 290 Cb 1.21 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1waj h LEU 290 CO 0.81 -0.01 0.00 0.47 -0.34 0.00 0.00 178.44 179.37 1waj n ASP 291 N -4.44 0.00 -0.24 1.25 9.92 -1.26 -1.49 116.55 120.29 1waj n ASP 291 Ca 0.29 0.47 0.14 0.00 -0.53 0.00 0.00 54.79 55.17 1waj n ASP 291 Cb 1.21 0.00 0.27 0.00 -0.64 0.00 0.00 41.12 41.96 1waj n ASP 291 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1waj n TYR 292 N -0.56 0.56 0.09 1.24 9.36 -0.95 -0.35 117.16 126.55 1waj n TYR 292 Ca 0.00 0.84 -0.12 0.00 3.32 0.00 0.00 57.90 61.94 1waj n TYR 292 Cb 0.00 -1.10 -0.08 0.00 -0.63 0.00 0.00 39.34 37.53 1waj n TYR 292 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1waj h ILE 293 N 0.00 0.88 -0.04 2.97 5.03 -1.34 -0.60 117.51 124.40 1waj h ILE 293 Ca 0.48 -0.88 0.01 0.00 -0.12 0.00 0.00 64.86 64.35 1waj h ILE 293 Cb 1.10 1.36 -0.00 0.00 -3.03 0.00 0.00 36.82 36.24 1waj h ILE 293 CO -0.62 0.18 0.08 0.77 -0.68 0.00 0.00 178.15 177.89 1waj h SER 294 N -0.73 0.00 0.13 1.72 4.64 0.43 0.88 113.55 120.61 1waj h SER 294 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1waj h SER 294 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1waj h SER 294 CO 0.04 0.00 -0.06 -0.08 -0.87 0.00 0.00 176.83 175.86 1waj h GLU 295 N 0.00 -0.16 0.47 4.77 4.81 -0.69 0.27 114.58 124.05 1waj h GLU 295 Ca 0.02 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1waj h GLU 295 Cb 0.19 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1waj h GLU 295 CO -0.00 0.24 -0.22 0.35 -0.73 0.00 0.00 179.01 178.64 1waj h PHE 296 N -0.95 -0.58 -0.86 0.92 3.57 -0.39 1.05 116.94 119.71 1waj h PHE 296 Ca -0.02 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.58 1waj h PHE 296 Cb 0.47 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.33 1waj h PHE 296 CO 0.09 -0.26 0.49 0.93 -2.23 0.00 0.00 178.31 177.33 1waj h GLU 297 N -0.88 0.75 0.00 1.11 4.39 0.64 -3.33 114.58 117.26 1waj h GLU 297 Ca -0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1waj h GLU 297 Cb 0.58 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1waj h GLU 297 CO 0.10 0.50 0.00 1.28 -1.16 0.00 0.00 179.01 179.73 1waj n LEU 298 N -4.76 0.99 0.00 1.33 4.77 0.94 -5.03 117.00 115.24 1waj n LEU 298 Ca 0.15 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1waj n LEU 298 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1waj n LEU 298 CO 0.25 0.25 0.00 0.59 -1.33 0.00 0.00 177.39 177.15 1waj n ASN 299 N -0.11 0.00 0.00 -1.43 3.02 0.36 -4.82 115.26 112.28 1waj n ASN 299 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1waj n ASN 299 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1waj n ASN 299 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1waj n VAL 300 N 0.00 0.00 0.00 2.41 0.24 -1.26 -4.76 118.33 114.97 1waj n VAL 300 Ca 0.00 0.66 0.00 0.00 -2.04 0.00 0.00 64.34 62.96 1waj n VAL 300 Cb 0.00 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 30.94 1waj n VAL 300 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1waj n GLY 301 N -0.24 0.56 3.64 7.63 0.00 -1.26 -4.85 105.19 110.67 1waj n GLY 301 Ca 0.00 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 1waj n GLY 301 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1waj s LYS 302 N -1.03 2.30 -0.10 1.61 1.02 -1.26 -4.82 119.74 117.47 1waj s LYS 302 Ca 0.00 -1.22 -0.31 0.00 0.02 0.00 0.00 55.97 54.46 1waj s LYS 302 Cb 0.00 -2.26 -0.08 0.00 -0.52 0.00 0.00 37.83 34.96 1waj s LYS 302 CO 0.00 0.43 2.06 -0.11 -0.92 0.00 0.00 175.35 176.81 1waj n LEU 303 N -0.29 3.59 -4.79 3.17 7.94 -1.26 -4.94 117.00 120.42 1waj n LEU 303 Ca -0.09 0.64 -0.34 0.00 -1.11 0.00 0.00 56.01 55.11 1waj n LEU 303 Cb 0.56 -1.49 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 1waj n LEU 303 CO 0.38 -0.21 0.74 -0.54 -1.11 0.00 0.00 177.39 176.65 1waj s LYS 304 N 5.17 3.61 0.18 1.96 1.02 -1.26 -5.06 119.74 125.36 1waj s LYS 304 Ca 0.95 1.44 -0.19 0.00 0.02 0.00 0.00 55.97 58.19 1waj s LYS 304 Cb -0.48 -2.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.81 1waj s LYS 304 CO 0.42 -0.60 0.54 1.52 -0.92 0.00 0.00 175.35 176.31 1waj s TYR 305 N -1.94 -0.25 0.04 3.18 -0.85 -1.26 -5.15 117.35 111.13 1waj s TYR 305 Ca 0.69 -0.07 -0.12 0.00 -0.52 0.00 0.00 57.07 57.05 1waj s TYR 305 Cb -0.19 0.44 -0.06 0.00 0.38 0.00 0.00 41.96 42.53 1waj s TYR 305 CO 0.23 -0.89 0.41 -0.51 -1.52 0.00 0.00 175.55 173.27 1waj s ASP 306 N -2.83 6.72 0.03 -0.18 1.11 -1.26 -4.98 116.67 115.29 1waj s ASP 306 Ca 0.06 0.88 0.00 0.00 0.18 0.00 0.00 52.55 53.67 1waj s ASP 306 Cb -0.01 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 41.77 1waj s ASP 306 CO -0.06 0.24 0.00 0.61 1.18 0.00 0.00 175.17 177.14 1waj n GLY 307 N 1.32 -1.94 3.72 0.21 0.00 -1.26 -4.82 105.19 102.42 1waj n GLY 307 Ca -0.11 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 1waj n GLY 307 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1waj s PRO 308 N -2.01 1.56 0.49 1.61 0.02 -1.26 -4.91 135.00 130.49 1waj s PRO 308 Ca 0.00 1.14 0.28 0.00 0.02 0.00 0.00 61.00 62.44 1waj s PRO 308 Cb 0.00 -1.82 0.88 0.00 0.02 0.00 0.00 34.50 33.58 1waj s PRO 308 CO 0.00 -2.13 1.80 0.97 -0.33 0.00 0.00 177.00 177.32 1waj h ILE 309 N -1.48 0.00 0.00 2.83 -0.00 -1.93 -2.85 117.51 114.07 1waj h ILE 309 Ca -0.46 -0.73 0.00 0.00 -0.00 0.00 0.00 64.86 63.67 1waj h ILE 309 Cb 1.26 1.73 0.00 0.00 -0.00 0.00 0.00 36.82 39.81 1waj h ILE 309 CO 0.50 0.00 0.00 -1.54 -0.00 0.00 0.00 178.15 177.11 1waj n SER 310 N -3.07 0.00 -0.10 2.19 3.41 -1.26 -3.73 113.62 111.06 1waj n SER 310 Ca 0.02 0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.73 1waj n SER 310 Cb 0.41 -0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1waj n SER 310 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1waj n LYS 311 N -1.40 0.60 -0.23 4.33 4.76 -1.09 -4.57 118.16 120.56 1waj n LYS 311 Ca 0.09 0.10 0.20 0.00 -2.87 0.00 0.00 58.31 55.84 1waj n LYS 311 Cb 0.27 -1.39 0.34 0.00 -1.84 0.00 0.00 35.03 32.41 1waj n LYS 311 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1waj n LEU 312 N -3.02 0.12 0.01 -0.35 -0.00 -1.14 0.54 117.00 113.17 1waj n LEU 312 Ca -0.34 0.74 -0.07 0.00 -0.00 0.00 0.00 56.01 56.34 1waj n LEU 312 Cb 0.88 -0.36 -0.05 0.00 -0.00 0.00 0.00 43.42 43.89 1waj n LEU 312 CO 0.21 -0.80 0.22 -0.09 -0.00 0.00 0.00 177.39 176.93 1waj h ARG 313 N 0.00 -0.13 -0.90 1.96 2.43 -1.83 0.19 114.38 116.09 1waj h ARG 313 Ca 0.45 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.79 1waj h ARG 313 Cb 1.43 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.94 1waj h ARG 313 CO -0.26 0.22 0.58 1.49 -1.51 0.00 0.00 179.97 180.49 1waj h GLU 314 N -0.98 0.64 0.00 0.20 4.22 -0.49 -0.93 114.58 117.24 1waj h GLU 314 Ca -0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1waj h GLU 314 Cb 0.41 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1waj h GLU 314 CO 0.02 0.42 -0.98 -1.13 -2.18 0.00 0.00 179.01 175.16 1waj n SER 315 N -4.57 0.97 -2.68 1.04 3.41 0.19 -4.77 113.62 107.20 1waj n SER 315 Ca 0.18 -0.95 -0.05 0.00 -0.26 0.00 0.00 58.87 57.79 1waj n SER 315 Cb 0.51 0.97 0.11 0.00 -0.26 0.00 0.00 64.21 65.54 1waj n SER 315 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1waj n ASN 316 N -1.51 -1.52 -0.34 4.04 4.05 0.64 -4.97 115.26 115.65 1waj n ASN 316 Ca 0.04 -2.31 0.34 0.00 0.45 0.00 0.00 54.58 53.10 1waj n ASN 316 Cb 0.33 1.32 0.72 0.00 1.23 0.00 0.00 39.78 43.38 1waj n ASN 316 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 177.26 173.47 1waj h HIS 317 N 2.46 0.12 0.06 1.20 -0.00 -1.09 0.11 115.15 118.01 1waj h HIS 317 Ca -0.26 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.13 1waj h HIS 317 Cb 1.19 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.55 1waj h HIS 317 CO -0.06 0.00 -0.11 0.37 -0.00 0.00 0.00 177.93 178.13 1waj h GLN 318 N 0.06 -0.21 -0.33 5.26 5.75 -1.88 -1.66 115.11 122.11 1waj h GLN 318 Ca 0.60 0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.93 1waj h GLN 318 Cb 2.24 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 30.83 1waj h GLN 318 CO -0.06 -0.14 -0.49 -0.09 -2.65 0.00 0.00 178.83 175.40 1waj h ARG 319 N -0.22 0.91 -0.54 1.69 2.43 -1.17 -2.28 114.38 115.19 1waj h ARG 319 Ca 0.02 -0.54 0.09 0.00 -0.81 0.00 0.00 59.98 58.74 1waj h ARG 319 Cb 0.24 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.73 1waj h ARG 319 CO -0.07 1.18 -0.40 -0.92 -1.51 0.00 0.00 179.97 178.25 1waj h TYR 320 N 0.71 -1.16 -0.42 2.20 3.20 -0.85 0.44 116.97 121.09 1waj h TYR 320 Ca 0.03 0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 1waj h TYR 320 Cb 1.09 0.59 -0.01 0.00 1.54 0.00 0.00 36.73 39.94 1waj h TYR 320 CO 0.07 -0.41 -0.21 0.82 -1.64 0.00 0.00 178.16 176.79 1waj h ILE 321 N -0.23 1.27 -0.50 1.81 1.08 -1.29 -2.96 117.51 116.70 1waj h ILE 321 Ca 0.19 -1.33 0.03 0.00 -0.39 0.00 0.00 64.86 63.36 1waj h ILE 321 Cb 0.56 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.44 1waj h ILE 321 CO -0.66 0.45 0.28 0.28 -0.69 0.00 0.00 178.15 177.81 1waj h SER 322 N 0.73 0.43 -0.82 1.72 0.02 -0.24 -2.33 113.55 113.07 1waj h SER 322 Ca 0.10 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1waj h SER 322 Cb 0.73 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 1waj h SER 322 CO 0.06 0.30 0.54 0.22 -1.14 0.00 0.00 176.83 176.81 1waj h TYR 323 N 0.55 0.96 0.70 3.45 5.03 -0.10 -0.83 116.97 126.73 1waj h TYR 323 Ca 0.21 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.51 1waj h TYR 323 Cb 0.07 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 1waj h TYR 323 CO -0.08 0.55 -0.45 -0.91 -1.32 0.00 0.00 178.16 175.95 1waj h ASN 324 N 0.99 -1.14 -0.83 -2.11 -0.26 -1.27 -0.27 115.58 110.68 1waj h ASN 324 Ca 0.33 0.07 0.16 0.00 -0.56 0.00 0.00 56.30 56.30 1waj h ASN 324 Cb 0.08 0.34 -0.10 0.00 -1.06 0.00 0.00 38.32 37.58 1waj h ASN 324 CO -0.10 -0.68 0.39 0.40 -1.06 0.00 0.00 177.43 176.38 1waj h ILE 325 N -1.09 0.67 0.18 2.81 5.03 -1.20 -1.04 117.51 122.87 1waj h ILE 325 Ca -0.09 -0.19 0.01 0.00 -0.12 0.00 0.00 64.86 64.48 1waj h ILE 325 Cb 0.88 0.08 -0.03 0.00 -3.03 0.00 0.00 36.82 34.72 1waj h ILE 325 CO 0.08 0.10 -0.32 0.40 -0.68 0.00 0.00 178.15 177.73 1waj h ILE 326 N 0.54 0.33 -0.04 -0.67 1.08 -0.73 -2.40 117.51 115.61 1waj h ILE 326 Ca 0.47 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.95 1waj h ILE 326 Cb 0.71 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.76 1waj h ILE 326 CO -0.40 0.00 -0.25 0.44 -0.69 0.00 0.00 178.15 177.25 1waj h ASP 327 N -0.57 -0.80 -0.88 1.72 5.19 0.27 -0.02 116.42 121.33 1waj h ASP 327 Ca 0.02 0.09 0.24 0.00 -0.62 0.00 0.00 57.03 56.76 1waj h ASP 327 Cb 0.58 0.31 -0.15 0.00 0.18 0.00 0.00 39.33 40.25 1waj h ASP 327 CO -0.15 -0.23 0.20 0.58 -3.12 0.00 0.00 179.24 176.51 1waj h VAL 328 N -0.28 0.27 0.13 -1.35 2.07 -1.47 0.10 116.25 115.71 1waj h VAL 328 Ca 0.01 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.48 1waj h VAL 328 Cb 0.32 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1waj h VAL 328 CO -0.19 0.03 -0.17 0.22 0.02 0.00 0.00 177.57 177.48 1waj h TYR 329 N 0.17 -0.44 -0.89 1.57 3.20 -0.78 -2.39 116.97 117.42 1waj h TYR 329 Ca 0.55 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.57 1waj h TYR 329 Cb 1.12 0.18 -0.15 0.00 1.54 0.00 0.00 36.73 39.42 1waj h TYR 329 CO -0.30 -0.25 -0.32 0.54 -1.64 0.00 0.00 178.16 176.19 1waj n ARG 330 N -5.29 -0.18 -0.07 1.82 3.00 0.34 0.62 116.66 116.90 1waj n ARG 330 Ca -0.07 1.37 -0.09 0.00 -0.01 0.00 0.00 57.85 59.05 1waj n ARG 330 Cb 0.21 -2.03 -0.02 0.00 0.00 0.00 0.00 32.46 30.62 1waj n ARG 330 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1waj h VAL 331 N 0.00 1.03 -0.51 1.55 2.07 -1.31 0.12 116.25 119.19 1waj h VAL 331 Ca 0.33 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1waj h VAL 331 Cb 0.56 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1waj h VAL 331 CO -0.89 0.06 0.04 -0.07 0.02 0.00 0.00 177.57 176.74 1waj h LEU 332 N 0.33 -0.13 -0.98 2.57 -0.00 0.68 0.13 115.31 117.91 1waj h LEU 332 Ca 0.11 0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 58.07 1waj h LEU 332 Cb -0.00 0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.80 1waj h LEU 332 CO -0.05 -0.04 0.39 1.56 -0.00 0.00 0.00 178.44 180.31 1waj h GLN 333 N 0.16 1.12 -0.16 1.13 4.20 -0.03 -2.13 115.11 119.40 1waj h GLN 333 Ca 0.26 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1waj h GLN 333 Cb 0.39 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1waj h GLN 333 CO -0.39 0.85 -0.17 0.82 -0.67 0.00 0.00 178.83 179.26 1waj h ILE 334 N 1.11 1.34 0.00 2.54 2.04 0.63 -2.81 117.51 122.36 1waj h ILE 334 Ca 0.27 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1waj h ILE 334 Cb 0.08 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1waj h ILE 334 CO -0.04 0.40 0.00 -0.78 0.00 0.00 0.00 178.15 177.73 1waj h ASP 335 N 0.05 0.00 -0.00 1.72 3.58 -0.57 0.11 116.42 121.30 1waj h ASP 335 Ca 0.03 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1waj h ASP 335 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1waj h ASP 335 CO 0.04 0.00 -0.03 0.00 -2.88 0.00 0.00 179.24 176.37 1waj h ALA 336 N 2.00 0.01 -0.00 -0.78 0.00 -1.14 0.41 119.26 119.76 1waj h ALA 336 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1waj h ALA 336 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1waj h ALA 336 CO 0.00 -0.10 -0.12 0.36 0.00 0.00 0.00 179.25 179.40 1waj n LYS 337 N -4.70 0.62 0.00 0.00 -0.00 -0.83 -3.97 118.16 109.29 1waj n LYS 337 Ca -0.09 -0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.01 1waj n LYS 337 Cb 0.39 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.92 1waj n LYS 337 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1waj n ARG 338 N -1.01 1.12 -1.54 -1.58 3.00 -0.04 -5.03 116.66 111.59 1waj n ARG 338 Ca 0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.87 1waj n ARG 338 Cb 0.28 -0.91 -0.04 0.00 0.00 0.00 0.00 32.46 31.79 1waj n ARG 338 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1waj n GLN 339 N -1.37 -1.44 -0.17 -0.14 1.13 0.15 -4.87 117.38 110.67 1waj n GLN 339 Ca 0.00 0.68 -0.03 0.00 -1.94 0.00 0.00 57.00 55.71 1waj n GLN 339 Cb 0.00 -4.97 0.04 0.00 0.11 0.00 0.00 30.24 25.42 1waj n GLN 339 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1waj h PHE 340 N 0.00 -0.39 -0.12 1.08 0.04 -1.89 0.41 116.94 116.07 1waj h PHE 340 Ca -0.25 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.58 1waj h PHE 340 Cb 0.85 0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 1waj h PHE 340 CO 0.40 -0.26 0.04 0.82 -0.60 0.00 0.00 178.31 178.70 1waj h ILE 341 N -0.04 0.97 -0.42 -0.55 2.04 -1.89 -1.03 117.51 116.58 1waj h ILE 341 Ca 0.25 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.16 1waj h ILE 341 Cb 0.43 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1waj h ILE 341 CO -0.56 0.02 -0.02 -1.13 0.00 0.00 0.00 178.15 176.45 1waj h ASN 342 N 0.10 -0.22 -0.62 1.72 -1.24 -1.57 0.11 115.58 113.85 1waj h ASN 342 Ca 0.05 0.10 0.11 0.00 0.71 0.00 0.00 56.30 57.28 1waj h ASN 342 Cb 0.03 0.19 -0.08 0.00 0.73 0.00 0.00 38.32 39.19 1waj h ASN 342 CO -0.06 -0.07 0.19 0.25 -1.29 0.00 0.00 177.43 176.44 1waj h LEU 343 N 0.08 0.12 -0.53 0.34 6.46 -0.57 0.32 115.31 121.54 1waj h LEU 343 Ca 0.21 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 58.13 1waj h LEU 343 Cb 0.30 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1waj h LEU 343 CO -0.37 0.06 0.21 0.28 -0.62 0.00 0.00 178.44 178.01 1waj h SER 344 N 0.33 0.24 0.28 1.25 0.02 0.47 0.12 113.55 116.27 1waj h SER 344 Ca 0.33 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1waj h SER 344 Cb 0.46 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1waj h SER 344 CO -0.37 0.16 -0.49 -0.07 -1.14 0.00 0.00 176.83 174.92 1waj h LEU 345 N 0.40 -1.41 -0.36 5.07 -0.00 0.13 -1.00 115.31 118.14 1waj h LEU 345 Ca 0.25 0.14 0.07 0.00 -0.00 0.00 0.00 57.88 58.34 1waj h LEU 345 Cb 0.25 0.50 -0.09 0.00 -0.00 0.00 0.00 40.66 41.33 1waj h LEU 345 CO -0.24 -0.59 -0.38 -0.78 -0.00 0.00 0.00 178.44 176.46 1waj h ASP 346 N -0.84 -1.25 0.25 -0.43 3.58 -0.69 0.83 116.42 117.87 1waj h ASP 346 Ca -0.02 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1waj h ASP 346 Cb 0.79 0.56 -0.04 0.00 1.72 0.00 0.00 39.33 42.35 1waj h ASP 346 CO -0.18 -0.36 -0.52 -0.03 -2.88 0.00 0.00 179.24 175.27 1waj h MET 347 N -0.32 -0.81 -0.94 0.28 4.05 -0.63 -0.29 114.93 116.29 1waj h MET 347 Ca 0.14 0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.67 1waj h MET 347 Cb 0.57 0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 31.49 1waj h MET 347 CO -0.53 -0.54 0.61 0.78 0.23 0.00 0.00 176.91 177.46 1waj h GLY 348 N -0.84 1.37 2.00 1.39 0.00 -0.89 -1.50 103.07 104.60 1waj h GLY 348 Ca -0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1waj h GLY 348 CO -0.21 0.34 -0.16 -0.97 0.00 0.00 0.00 176.54 175.54 1waj h TYR 349 N 1.11 0.00 0.09 5.60 0.05 -0.27 0.43 116.97 123.98 1waj h TYR 349 Ca 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.17 1waj h TYR 349 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1waj h TYR 349 CO -0.00 0.16 -0.04 -0.92 -1.05 0.00 0.00 178.16 176.30 1waj h TYR 350 N 0.00 -0.12 -0.06 4.88 3.20 -0.02 -3.34 116.97 121.51 1waj h TYR 350 Ca -0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1waj h TYR 350 Cb 0.37 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1waj h TYR 350 CO 0.00 -0.07 0.05 0.00 -1.64 0.00 0.00 178.16 176.50 1waj h ALA 351 N -1.78 1.98 -3.55 1.82 0.00 -1.39 -3.47 119.26 112.88 1waj h ALA 351 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1waj h ALA 351 Cb 0.10 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.95 1waj h ALA 351 CO 0.02 -0.08 -0.27 1.63 0.00 0.00 0.00 179.25 180.54 1waj n LYS 352 N -4.40 -1.43 -4.55 0.00 5.02 0.15 -4.31 118.16 108.64 1waj n LYS 352 Ca -0.01 0.29 -0.25 0.00 -2.02 0.00 0.00 58.31 56.31 1waj n LYS 352 Cb 0.15 -3.27 -0.10 0.00 -0.02 0.00 0.00 35.03 31.79 1waj n LYS 352 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1waj s ILE 353 N -3.13 1.48 0.26 -0.18 -4.36 -1.13 -4.76 121.20 109.38 1waj s ILE 353 Ca 0.08 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.18 1waj s ILE 353 Cb -0.01 -2.80 -0.10 0.00 1.25 0.00 0.00 42.46 40.80 1waj s ILE 353 CO 0.25 0.00 1.35 -1.10 0.24 0.00 0.00 174.94 175.68 1waj s GLN 354 N -3.81 4.34 0.16 0.37 -0.21 -1.26 -4.79 119.66 114.46 1waj s GLN 354 Ca 0.33 2.19 -0.27 0.00 0.02 0.00 0.00 55.36 57.63 1waj s GLN 354 Cb 0.08 -3.12 0.01 0.00 1.00 0.00 0.00 33.01 30.98 1waj s GLN 354 CO 0.15 -0.28 1.56 0.82 -2.12 0.00 0.00 175.29 175.43 1waj h ILE 355 N 3.43 0.08 -0.82 1.08 1.08 -1.93 0.18 117.51 120.60 1waj h ILE 355 Ca -0.47 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.24 1waj h ILE 355 Cb 1.22 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 1waj h ILE 355 CO 0.73 0.00 0.74 0.06 -0.69 0.00 0.00 178.15 178.99 1waj h GLN 356 N -0.25 0.00 0.00 2.37 -0.00 -1.89 0.18 115.11 115.52 1waj h GLN 356 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1waj h GLN 356 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.05 1waj h GLN 356 CO -0.67 0.00 0.00 0.43 -0.00 0.00 0.00 178.83 178.59 1waj n SER 357 N -3.82 0.00 -0.25 0.06 7.64 0.62 -1.28 113.62 116.60 1waj n SER 357 Ca 0.17 0.46 0.04 0.00 1.01 0.00 0.00 58.87 60.55 1waj n SER 357 Cb 1.02 -0.47 0.27 0.00 -1.01 0.00 0.00 64.21 64.02 1waj n SER 357 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1waj h VAL 358 N 0.00 1.09 0.00 0.44 2.07 -0.76 -0.18 116.25 118.91 1waj h VAL 358 Ca 0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1waj h VAL 358 Cb 0.07 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1waj h VAL 358 CO 0.00 0.17 -0.04 -0.26 0.02 0.00 0.00 177.57 177.47 1waj h PHE 359 N 0.95 0.00 -3.69 1.57 0.04 -1.42 -3.39 116.94 111.01 1waj h PHE 359 Ca 0.34 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.43 1waj h PHE 359 Cb 0.13 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.09 1waj h PHE 359 CO -0.00 0.04 -0.49 0.45 -0.60 0.00 0.00 178.31 177.70 1waj s SER 360 N -6.43 5.97 0.18 2.17 0.15 -0.08 -4.96 113.70 110.71 1waj s SER 360 Ca -0.05 -0.48 -0.13 0.00 0.70 0.00 0.00 55.95 56.00 1waj s SER 360 Cb 0.15 -2.11 0.09 0.00 -1.71 0.00 0.00 66.02 62.44 1waj s SER 360 CO 0.59 -0.24 1.85 -0.65 1.20 0.00 0.00 173.24 175.99 1waj h PRO 361 N 8.47 0.79 -0.08 5.44 0.11 -1.81 -2.03 132.00 142.90 1waj h PRO 361 Ca -0.31 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.77 1waj h PRO 361 Cb 1.15 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1waj h PRO 361 CO 0.64 0.53 -0.33 0.82 -0.21 0.00 0.00 178.00 179.45 1waj h ILE 362 N 0.81 0.00 -0.56 4.15 1.08 -1.92 -1.54 117.51 119.54 1waj h ILE 362 Ca 0.22 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.75 1waj h ILE 362 Cb -0.08 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.61 1waj h ILE 362 CO -0.05 0.00 0.28 0.11 -0.69 0.00 0.00 178.15 177.80 1waj h LYS 363 N -0.35 0.51 0.23 2.37 1.79 -1.82 -1.76 116.57 117.54 1waj h LYS 363 Ca 0.02 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1waj h LYS 363 Cb 0.41 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1waj h LYS 363 CO -0.27 0.34 -0.33 1.15 -1.08 0.00 0.00 179.45 179.26 1waj h THR 364 N 0.53 0.00 -0.52 -0.16 2.02 -0.88 -2.42 112.91 111.48 1waj h THR 364 Ca 0.26 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.45 1waj h THR 364 Cb 0.19 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1waj h THR 364 CO -0.19 0.00 0.34 -0.50 0.37 0.00 0.00 175.52 175.54 1waj h TRP 365 N -0.59 0.63 -0.85 3.16 4.06 -1.24 -2.24 115.95 118.89 1waj h TRP 365 Ca -0.03 0.02 0.19 0.00 2.06 0.00 0.00 58.89 61.13 1waj h TRP 365 Cb 0.53 -0.21 -0.11 0.00 -1.00 0.00 0.00 29.16 28.37 1waj h TRP 365 CO -0.26 0.39 0.35 0.22 -3.56 0.00 0.00 178.44 175.58 1waj h ASP 366 N 0.68 0.31 0.88 -3.49 3.58 -1.24 -1.34 116.42 115.80 1waj h ASP 366 Ca 0.19 0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.74 1waj h ASP 366 Cb -0.05 0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.12 1waj h ASP 366 CO -0.05 0.05 -0.42 0.00 -2.88 0.00 0.00 179.24 175.93 1waj h ALA 367 N 1.65 -1.18 -0.73 -0.78 0.00 -0.90 -0.31 119.26 117.01 1waj h ALA 367 Ca 0.50 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1waj h ALA 367 Cb 0.87 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 1waj h ALA 367 CO -0.48 -1.10 -0.46 0.82 0.00 0.00 0.00 179.25 178.03 1waj h ILE 368 N -1.29 0.00 -0.06 0.00 2.04 -0.89 0.59 117.51 117.90 1waj h ILE 368 Ca -0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1waj h ILE 368 Cb 0.91 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1waj h ILE 368 CO 0.20 0.00 -0.28 0.40 0.00 0.00 0.00 178.15 178.47 1waj h ILE 369 N -0.04 0.36 -0.95 -0.67 2.04 -1.29 0.17 117.51 117.13 1waj h ILE 369 Ca 0.12 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.26 1waj h ILE 369 Cb 0.34 0.36 -0.14 0.00 -0.74 0.00 0.00 36.82 36.64 1waj h ILE 369 CO -0.71 0.00 0.44 0.15 0.00 0.00 0.00 178.15 178.04 1waj h PHE 370 N -0.39 0.72 -0.38 1.37 3.04 0.44 0.19 116.94 121.93 1waj h PHE 370 Ca 0.08 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.92 1waj h PHE 370 Cb 0.51 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1waj h PHE 370 CO -0.34 -0.16 -0.35 -0.91 -2.02 0.00 0.00 178.31 174.54 1waj h ASN 371 N 0.31 0.96 0.53 0.41 2.35 0.14 0.17 115.58 120.45 1waj h ASN 371 Ca 0.65 -0.46 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1waj h ASN 371 Cb 1.40 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 1waj h ASN 371 CO -0.61 1.22 -0.31 -1.28 -1.65 0.00 0.00 177.43 174.80 1waj h SER 372 N 0.71 -0.78 -0.40 5.81 0.87 0.11 -3.01 113.55 116.87 1waj h SER 372 Ca 0.06 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1waj h SER 372 Cb 0.94 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 63.05 1waj h SER 372 CO 0.09 -0.49 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.79 1waj h LEU 373 N -0.78 -0.25 -1.00 2.23 4.07 -1.11 -2.08 115.31 116.39 1waj h LEU 373 Ca -0.07 0.10 0.32 0.00 0.08 0.00 0.00 57.88 58.31 1waj h LEU 373 Cb 0.62 0.20 -0.18 0.00 1.08 0.00 0.00 40.66 42.38 1waj h LEU 373 CO 0.08 -0.08 0.17 1.17 -1.08 0.00 0.00 178.44 178.69 1waj n LYS 374 N -5.24 -0.07 -0.01 1.13 0.00 0.58 0.90 118.16 115.44 1waj n LYS 374 Ca 0.03 1.46 0.06 0.00 0.00 0.00 0.00 58.31 59.85 1waj n LYS 374 Cb 0.22 -2.41 0.31 0.00 0.00 0.00 0.00 35.03 33.15 1waj n LYS 374 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1waj n GLU 375 N -5.43 1.08 -0.40 1.64 -0.00 -0.78 -2.40 120.64 114.34 1waj n GLU 375 Ca 0.28 -0.12 0.07 0.00 -0.00 0.00 0.00 57.16 57.38 1waj n GLU 375 Cb 0.92 -1.18 0.12 0.00 -0.00 0.00 0.00 31.44 31.29 1waj n GLU 375 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1waj n GLN 376 N -0.55 0.98 -4.07 3.44 6.02 0.26 -5.01 117.38 118.45 1waj n GLN 376 Ca 0.09 -2.38 -0.36 0.00 -0.01 0.00 0.00 57.00 54.33 1waj n GLN 376 Cb 0.06 -1.19 -0.02 0.00 1.02 0.00 0.00 30.24 30.11 1waj n GLN 376 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1waj n ASN 377 N -0.91 -2.18 -4.51 1.08 3.02 -1.01 -4.85 115.26 105.90 1waj n ASN 377 Ca 0.13 -1.20 -0.25 0.00 -0.03 0.00 0.00 54.58 53.23 1waj n ASN 377 Cb 0.71 -2.14 -0.10 0.00 -0.61 0.00 0.00 39.78 37.64 1waj n ASN 377 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1waj s LYS 378 N -7.06 1.78 -0.03 3.52 -0.14 -1.20 -2.21 119.74 114.41 1waj s LYS 378 Ca 0.27 -1.81 0.07 0.00 -1.36 0.00 0.00 55.97 53.14 1waj s LYS 378 Cb -0.13 -1.78 -0.02 0.00 -1.68 0.00 0.00 37.83 34.22 1waj s LYS 378 CO 0.95 0.26 -0.25 0.08 -0.76 0.00 0.00 175.35 175.63 1waj s VAL 379 N -2.53 1.95 0.22 3.17 1.01 -0.83 -4.42 120.40 118.96 1waj s VAL 379 Ca 0.31 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1waj s VAL 379 Cb -0.02 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1waj s VAL 379 CO 0.16 0.55 0.63 0.27 0.00 0.00 0.00 175.10 176.71 1waj s ILE 380 N -0.49 4.77 0.00 2.22 -4.36 -1.26 -3.36 121.20 118.72 1waj s ILE 380 Ca 0.07 0.88 0.00 0.00 -0.26 0.00 0.00 60.65 61.34 1waj s ILE 380 Cb -0.10 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 39.90 1waj s ILE 380 CO -0.00 0.08 0.00 -2.65 0.24 0.00 0.00 174.94 172.61 1waj n PRO 381 N 0.34 0.00 -3.64 0.37 -0.02 -1.26 -1.86 135.00 128.92 1waj n PRO 381 Ca -0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.40 1waj n PRO 381 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.93 1waj n PRO 381 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1waj s GLN 382 N 0.00 0.37 -0.14 -0.52 -2.07 -1.26 -3.49 119.66 112.56 1waj s GLN 382 Ca 0.00 0.49 -0.31 0.00 -1.82 0.00 0.00 55.36 53.72 1waj s GLN 382 Cb 0.00 0.16 -0.09 0.00 -1.09 0.00 0.00 33.01 31.99 1waj s GLN 382 CO 0.00 -0.05 2.06 0.41 -1.32 0.00 0.00 175.29 176.39 1waj n GLY 383 N 2.45 1.29 3.50 2.60 0.00 -1.26 -4.92 105.19 108.85 1waj n GLY 383 Ca -0.14 0.84 -0.33 0.00 0.00 0.00 0.00 46.02 46.39 1waj n GLY 383 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1waj s ARG 384 N 5.23 2.85 0.43 1.61 0.52 -1.26 -5.10 118.95 123.24 1waj s ARG 384 Ca 0.97 -0.62 -0.19 0.00 -0.52 0.00 0.00 55.73 55.37 1waj s ARG 384 Cb -0.53 -2.55 -0.10 0.00 0.52 0.00 0.00 34.95 32.28 1waj s ARG 384 CO 0.44 0.54 0.92 -1.54 0.02 0.00 0.00 175.30 175.67 1waj s SER 385 N -0.48 6.83 0.11 0.23 1.04 -1.26 -4.80 113.70 115.37 1waj s SER 385 Ca 0.07 1.58 -0.00 0.00 0.48 0.00 0.00 55.95 58.08 1waj s SER 385 Cb -0.12 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1waj s SER 385 CO 0.02 -0.39 0.01 -1.00 0.98 0.00 0.00 173.24 172.86 1waj s HIS 386 N -2.26 0.84 0.27 5.02 0.09 -1.26 -5.12 115.29 112.87 1waj s HIS 386 Ca 0.60 -1.12 -0.07 0.00 -0.00 0.00 0.00 55.06 54.46 1waj s HIS 386 Cb -0.09 -0.50 -0.06 0.00 -0.00 0.00 0.00 32.58 31.92 1waj s HIS 386 CO 0.18 -0.39 0.57 -1.25 -0.00 0.00 0.00 174.74 173.85 1waj s PRO 387 N -3.97 3.72 -0.18 8.40 0.04 -1.26 -5.02 135.00 136.73 1waj s PRO 387 Ca 0.19 0.16 -0.29 0.00 0.04 0.00 0.00 61.00 61.10 1waj s PRO 387 Cb 0.07 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 1waj s PRO 387 CO -0.01 0.24 1.45 0.08 0.04 0.00 0.00 177.00 178.79 1waj s VAL 388 N -1.99 3.95 -0.27 -0.36 1.01 -1.26 -4.98 120.40 116.51 1waj s VAL 388 Ca 0.46 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1waj s VAL 388 Cb -0.11 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.51 1waj s VAL 388 CO 0.26 -0.22 -0.03 -1.58 0.00 0.00 0.00 175.10 173.53 1waj s GLN 389 N 4.04 1.62 -0.40 2.72 2.00 -1.26 -5.07 119.66 123.31 1waj s GLN 389 Ca 0.63 -1.24 -0.10 0.00 -2.00 0.00 0.00 55.36 52.66 1waj s GLN 389 Cb -0.24 -2.71 -0.09 0.00 0.80 0.00 0.00 33.01 30.77 1waj s GLN 389 CO 0.23 -0.70 1.43 -2.30 -0.50 0.00 0.00 175.29 173.45 1waj n PRO 390 N 4.56 0.04 -2.39 1.67 -0.02 -1.26 -4.94 135.00 132.67 1waj n PRO 390 Ca -0.08 -0.58 -0.24 0.00 -2.02 0.00 0.00 63.50 60.57 1waj n PRO 390 Cb 0.43 -2.03 0.06 0.00 -0.02 0.00 0.00 33.50 31.94 1waj n PRO 390 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1waj s TYR 391 N 6.11 2.86 0.82 6.00 1.13 -1.26 -5.07 117.35 127.93 1waj s TYR 391 Ca 0.33 0.24 -0.10 0.00 -1.41 0.00 0.00 57.07 56.12 1waj s TYR 391 Cb -0.04 -3.02 0.09 0.00 -1.10 0.00 0.00 41.96 37.89 1waj s TYR 391 CO 0.08 -1.21 1.11 -1.25 -2.51 0.00 0.00 175.55 171.77 1waj s PRO 392 N -5.05 1.86 0.00 -3.49 0.04 -1.26 -5.07 135.00 122.03 1waj s PRO 392 Ca 0.59 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1waj s PRO 392 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1waj s PRO 392 CO 0.42 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.91 1waj n GLY 393 N -0.76 6.26 3.71 0.56 0.00 -1.26 -4.87 105.19 108.83 1waj n GLY 393 Ca 0.10 -1.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1waj n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1waj s ALA 394 N -2.00 1.92 -0.13 4.61 0.00 -1.26 -4.78 121.76 120.12 1waj s ALA 394 Ca 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 1waj s ALA 394 Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1waj s ALA 394 CO 0.00 -2.15 0.28 0.12 0.00 0.00 0.00 175.76 174.01 1waj s PHE 395 N -2.39 3.52 -0.23 0.00 5.36 -1.26 -4.91 117.98 118.08 1waj s PHE 395 Ca 0.69 0.64 -0.02 0.00 -0.96 0.00 0.00 56.93 57.28 1waj s PHE 395 Cb -0.24 -2.26 0.07 0.00 -0.34 0.00 0.00 43.02 40.25 1waj s PHE 395 CO 0.51 0.39 0.04 0.08 -1.46 0.00 0.00 175.22 174.78 1waj s VAL 396 N -0.03 0.71 0.33 3.12 1.01 -1.26 -1.76 120.40 122.52 1waj s VAL 396 Ca 0.17 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1waj s VAL 396 Cb -0.13 -1.28 -0.11 0.00 0.00 0.00 0.00 36.38 34.86 1waj s VAL 396 CO 0.05 -0.33 1.41 -0.75 0.00 0.00 0.00 175.10 175.48 1waj s LYS 397 N 1.75 4.24 -0.33 2.72 2.20 -1.00 -4.95 119.74 124.36 1waj s LYS 397 Ca 0.01 2.38 -0.29 0.00 -0.36 0.00 0.00 55.97 57.72 1waj s LYS 397 Cb -0.17 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 1waj s LYS 397 CO -0.13 -0.38 1.09 -2.00 -0.36 0.00 0.00 175.35 173.57 1waj s GLU 398 N -1.61 4.03 0.54 4.03 2.56 -1.26 -4.65 118.70 122.33 1waj s GLU 398 Ca 0.53 1.03 -0.08 0.00 0.00 0.00 0.00 54.97 56.45 1waj s GLU 398 Cb -0.43 -3.76 -0.04 0.00 2.00 0.00 0.00 34.13 31.90 1waj s GLU 398 CO 0.55 -0.96 0.89 -1.25 -0.56 0.00 0.00 175.26 173.93 1waj s PRO 399 N 3.75 3.58 -0.34 4.30 0.04 -1.26 -5.03 135.00 140.04 1waj s PRO 399 Ca 0.46 0.45 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 1waj s PRO 399 Cb -0.12 -2.25 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 1waj s PRO 399 CO 0.17 -0.35 0.63 0.42 0.04 0.00 0.00 177.00 177.91 1waj s ILE 400 N -2.90 4.90 -0.67 0.56 1.01 -1.26 -4.83 121.20 118.01 1waj s ILE 400 Ca 0.51 0.64 -0.26 0.00 0.00 0.00 0.00 60.65 61.54 1waj s ILE 400 Cb -0.11 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.18 1waj s ILE 400 CO 0.48 -0.27 2.46 -2.65 0.00 0.00 0.00 174.94 174.95 1waj n PRO 401 N 6.00 0.70 -1.79 2.79 -0.02 -1.26 -4.82 135.00 136.60 1waj n PRO 401 Ca -0.01 -0.16 -0.02 0.00 -2.02 0.00 0.00 63.50 61.28 1waj n PRO 401 Cb 0.49 -3.00 -0.00 0.00 -0.02 0.00 0.00 33.50 30.96 1waj n PRO 401 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1waj n ASN 402 N 14.90 -0.35 -4.74 2.55 5.15 -1.18 -4.76 115.26 126.83 1waj n ASN 402 Ca 0.46 -1.34 -0.34 0.00 -0.60 0.00 0.00 54.58 52.76 1waj n ASN 402 Cb 0.41 0.60 -0.08 0.00 -0.53 0.00 0.00 39.78 40.18 1waj n ASN 402 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1waj s ARG 403 N -2.09 3.02 -0.24 1.20 1.70 -1.23 -1.83 118.95 119.48 1waj s ARG 403 Ca 0.04 -0.45 -0.04 0.00 -0.47 0.00 0.00 55.73 54.82 1waj s ARG 403 Cb -0.01 -2.83 0.08 0.00 -0.57 0.00 0.00 34.95 31.62 1waj s ARG 403 CO 0.03 0.68 0.10 0.71 -1.08 0.00 0.00 175.30 175.74 1waj s TYR 404 N -1.05 0.54 0.01 5.89 1.51 -0.56 -4.95 117.35 118.74 1waj s TYR 404 Ca 0.18 -0.80 -0.06 0.00 -1.01 0.00 0.00 57.07 55.37 1waj s TYR 404 Cb -0.12 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 1waj s TYR 404 CO 0.08 -0.71 1.10 0.87 -1.11 0.00 0.00 175.55 175.78 1waj h LYS 405 N 8.35 -0.21 -5.43 -0.62 1.57 -1.72 -2.29 116.57 116.23 1waj h LYS 405 Ca -0.17 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.02 1waj h LYS 405 Cb 1.07 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.32 1waj h LYS 405 CO 0.38 -0.14 -0.39 0.71 -0.57 0.00 0.00 179.45 179.44 1waj s TYR 406 N -3.51 3.46 -0.04 -1.35 1.51 -1.26 -3.63 117.35 112.52 1waj s TYR 406 Ca -0.03 0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 56.39 1waj s TYR 406 Cb 0.01 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.63 1waj s TYR 406 CO 0.10 0.30 0.31 0.08 -1.11 0.00 0.00 175.55 175.23 1waj s VAL 407 N 0.29 0.04 -0.04 0.71 1.01 -0.47 -1.03 120.40 120.92 1waj s VAL 407 Ca 0.13 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1waj s VAL 407 Cb -0.12 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1waj s VAL 407 CO 0.02 -0.19 0.13 0.00 0.00 0.00 0.00 175.10 175.06 1waj s MET 408 N -0.91 0.20 0.17 2.72 0.23 -0.90 -0.56 119.30 120.24 1waj s MET 408 Ca -0.10 0.10 0.10 0.00 -1.03 0.00 0.00 55.69 54.77 1waj s MET 408 Cb -0.05 0.09 -0.04 0.00 -1.53 0.00 0.00 34.83 33.30 1waj s MET 408 CO 0.03 -0.03 -0.23 -1.54 -2.03 0.00 0.00 175.02 171.22 1waj s SER 409 N -0.13 3.17 0.08 -1.18 1.04 -0.91 -1.13 113.70 114.64 1waj s SER 409 Ca -0.02 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 55.64 1waj s SER 409 Cb -0.02 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1waj s SER 409 CO 0.00 0.09 -0.16 -0.36 0.98 0.00 0.00 173.24 173.79 1waj s PHE 410 N -1.63 1.41 -0.06 5.02 0.40 -0.49 -0.26 117.98 122.37 1waj s PHE 410 Ca 0.17 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1waj s PHE 410 Cb -0.08 -0.79 -0.01 0.00 0.51 0.00 0.00 43.02 42.65 1waj s PHE 410 CO 0.08 0.11 -0.24 -0.51 0.70 0.00 0.00 175.22 175.35 1waj s ASP 411 N -1.77 3.01 -0.13 1.36 1.11 0.00 -1.83 116.67 118.42 1waj s ASP 411 Ca 0.01 -0.50 -0.26 0.00 0.18 0.00 0.00 52.55 51.98 1waj s ASP 411 Cb -0.10 -0.86 -0.02 0.00 1.07 0.00 0.00 42.92 43.01 1waj s ASP 411 CO 0.03 0.23 0.83 -0.22 1.18 0.00 0.00 175.17 177.22 1waj s LEU 412 N -0.12 4.22 -0.25 1.23 1.98 0.07 -2.22 118.68 123.60 1waj s LEU 412 Ca -0.04 1.24 -0.29 0.00 -2.89 0.00 0.00 54.13 52.14 1waj s LEU 412 Cb -0.14 -3.25 -0.00 0.00 0.66 0.00 0.00 46.19 43.46 1waj s LEU 412 CO 0.04 -0.34 1.24 0.42 -1.89 0.00 0.00 176.35 175.82 1waj s THR 413 N 1.79 4.28 0.00 3.68 -4.23 -0.31 -4.17 115.64 116.68 1waj s THR 413 Ca 0.40 1.49 0.00 0.00 -1.18 0.00 0.00 61.69 62.40 1waj s THR 413 Cb -0.17 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.53 1waj s THR 413 CO 0.15 -0.33 0.00 -1.54 -0.54 0.00 0.00 174.62 172.36 1waj n SER 414 N 7.07 0.00 0.00 3.99 3.41 -1.26 -4.77 113.62 122.06 1waj n SER 414 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1waj n SER 414 Cb 0.46 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1waj n SER 414 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1waj n LEU 415 N 0.00 0.00 -0.19 1.04 7.94 -1.26 -3.56 117.00 120.97 1waj n LEU 415 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 1waj n LEU 415 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 1waj n LEU 415 CO 0.00 0.00 0.35 -1.22 -1.11 0.00 0.00 177.39 175.41 1waj n TYR 416 N 0.00 -0.20 0.04 1.96 4.01 -1.26 0.14 117.16 121.85 1waj n TYR 416 Ca 0.00 0.56 0.07 0.00 -0.16 0.00 0.00 57.90 58.37 1waj n TYR 416 Cb 0.00 -0.48 0.49 0.00 -0.31 0.00 0.00 39.34 39.04 1waj n TYR 416 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1waj h PRO 417 N 0.00 0.38 -0.33 -0.72 0.13 -1.87 0.69 132.00 130.29 1waj h PRO 417 Ca 0.07 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.13 1waj h PRO 417 Cb 0.19 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 1waj h PRO 417 CO -0.42 0.25 0.03 0.77 -0.23 0.00 0.00 178.00 178.40 1waj h SER 418 N 0.39 0.54 -0.13 1.44 0.02 0.11 -2.16 113.55 113.75 1waj h SER 418 Ca 0.15 -0.28 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1waj h SER 418 Cb 0.10 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1waj h SER 418 CO -0.03 0.68 -0.13 0.40 -1.14 0.00 0.00 176.83 176.61 1waj h ILE 419 N 0.37 0.63 -0.45 3.27 2.04 0.15 0.25 117.51 123.77 1waj h ILE 419 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 1waj h ILE 419 Cb 0.39 0.63 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 1waj h ILE 419 CO 0.01 0.00 -0.23 0.40 0.00 0.00 0.00 178.15 178.33 1waj h ILE 420 N -0.16 0.35 -0.60 -0.67 5.03 -0.83 -0.67 117.51 119.96 1waj h ILE 420 Ca 0.09 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.80 1waj h ILE 420 Cb 0.30 0.35 -0.03 0.00 -3.03 0.00 0.00 36.82 34.41 1waj h ILE 420 CO -0.23 0.00 0.25 0.03 -0.68 0.00 0.00 178.15 177.52 1waj h ARG 421 N -0.13 0.87 -0.04 2.37 3.08 -0.53 0.33 114.38 120.31 1waj h ARG 421 Ca 0.21 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1waj h ARG 421 Cb 0.47 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1waj h ARG 421 CO -0.54 0.70 0.00 0.37 -1.07 0.00 0.00 179.97 179.44 1waj h GLN 422 N 0.86 0.07 0.00 0.04 4.15 0.55 -3.15 115.11 117.63 1waj h GLN 422 Ca 0.21 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1waj h GLN 422 Cb 0.15 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1waj h GLN 422 CO -0.02 0.36 -0.05 0.28 -1.93 0.00 0.00 178.83 177.47 1waj h VAL 423 N -0.22 0.00 -3.67 2.39 2.07 -1.08 -0.70 116.25 115.04 1waj h VAL 423 Ca 0.01 -0.98 -0.24 0.00 0.82 0.00 0.00 66.70 66.32 1waj h VAL 423 Cb 0.33 1.95 0.07 0.00 -1.52 0.00 0.00 31.29 32.12 1waj h VAL 423 CO 0.00 0.00 -0.39 -3.20 0.02 0.00 0.00 177.57 174.00 1waj n ASN 424 N -3.05 -4.54 -4.65 0.57 5.15 0.11 -4.73 115.26 104.13 1waj n ASN 424 Ca 0.04 -0.29 -0.42 0.00 -0.60 0.00 0.00 54.58 53.30 1waj n ASN 424 Cb 0.53 -3.17 -0.03 0.00 -0.53 0.00 0.00 39.78 36.58 1waj n ASN 424 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1waj s ILE 425 N -3.14 3.48 0.12 -1.44 1.01 -0.97 -4.70 121.20 115.56 1waj s ILE 425 Ca 0.32 0.56 -0.16 0.00 0.00 0.00 0.00 60.65 61.37 1waj s ILE 425 Cb -0.14 -3.41 0.04 0.00 0.01 0.00 0.00 42.46 38.95 1waj s ILE 425 CO 0.39 -0.10 0.40 -0.55 0.00 0.00 0.00 174.94 175.08 1waj s SER 426 N 4.09 -0.24 0.50 3.58 0.15 -1.26 -4.57 113.70 115.94 1waj s SER 426 Ca 0.77 -0.28 0.28 0.00 0.70 0.00 0.00 55.95 57.41 1waj s SER 426 Cb -0.33 0.47 1.26 0.00 -1.71 0.00 0.00 66.02 65.71 1waj s SER 426 CO 0.32 -0.84 1.97 1.55 1.20 0.00 0.00 173.24 177.44 1waj h PRO 427 N 2.42 0.00 -0.30 5.44 0.13 -1.95 -2.89 132.00 134.85 1waj h PRO 427 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1waj h PRO 427 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1waj h PRO 427 CO 0.46 0.15 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 1waj n GLU 428 N -3.43 3.18 0.00 0.86 0.00 -1.26 -4.24 120.64 115.75 1waj n GLU 428 Ca -0.01 -2.88 0.00 0.00 0.00 0.00 0.00 57.16 54.27 1waj n GLU 428 Cb 0.32 -1.89 0.00 0.00 0.00 0.00 0.00 31.44 29.87 1waj n GLU 428 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1waj n THR 429 N -0.35 0.30 -1.73 3.84 -2.24 -1.09 -4.99 114.28 108.01 1waj n THR 429 Ca 0.22 -0.59 -0.43 0.00 -2.27 0.00 0.00 64.05 60.98 1waj n THR 429 Cb 0.93 0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 70.06 1waj n THR 429 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1waj s ILE 430 N -0.30 3.16 -0.05 2.28 1.10 -1.22 -1.98 121.20 124.20 1waj s ILE 430 Ca 0.00 0.16 -0.00 0.00 -0.51 0.00 0.00 60.65 60.30 1waj s ILE 430 Cb 0.00 -3.21 -0.00 0.00 0.15 0.00 0.00 42.46 39.40 1waj s ILE 430 CO 0.00 -0.13 -0.01 0.00 -2.11 0.00 0.00 174.94 172.69 1waj h ALA 431 N 14.36 0.00 -3.00 1.50 0.00 -1.34 -3.47 119.26 127.31 1waj h ALA 431 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1waj h ALA 431 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1waj h ALA 431 CO 0.98 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.66 1waj n GLY 432 N 1.89 4.46 3.53 0.00 0.00 -1.08 -5.03 105.19 108.95 1waj n GLY 432 Ca -0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1waj n GLY 432 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1waj s THR 433 N 1.01 0.03 0.12 2.61 2.01 -1.23 -4.55 115.64 115.64 1waj s THR 433 Ca 0.00 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 60.99 1waj s THR 433 Cb 0.00 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.87 1waj s THR 433 CO 0.00 -0.12 0.33 0.72 -0.69 0.00 0.00 174.62 174.86 1waj s PHE 434 N -3.89 -0.04 -0.16 4.92 -0.12 -1.26 -4.90 117.98 112.52 1waj s PHE 434 Ca 0.11 -0.31 -0.29 0.00 -0.05 0.00 0.00 56.93 56.39 1waj s PHE 434 Cb -0.01 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 1waj s PHE 434 CO -0.01 -0.67 1.95 0.15 -0.05 0.00 0.00 175.22 176.59 1waj s LYS 435 N -3.84 3.59 -0.12 1.99 -0.14 -1.26 -4.78 119.74 115.19 1waj s LYS 435 Ca 0.05 2.04 -0.10 0.00 -1.36 0.00 0.00 55.97 56.60 1waj s LYS 435 Cb 0.03 -4.21 -0.05 0.00 -1.68 0.00 0.00 37.83 31.92 1waj s LYS 435 CO -0.10 -1.56 0.21 0.54 -0.76 0.00 0.00 175.35 173.67 1waj s VAL 436 N 6.33 5.38 0.52 3.17 0.11 -1.26 -5.02 120.40 129.63 1waj s VAL 436 Ca 0.88 0.36 0.03 0.00 -2.93 0.00 0.00 61.98 60.32 1waj s VAL 436 Cb -0.32 -3.50 0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1waj s VAL 436 CO 0.35 0.54 0.73 0.00 -3.33 0.00 0.00 175.10 173.40 1waj s ALA 437 N -0.54 4.02 0.23 1.54 0.00 -1.26 -5.03 121.76 120.72 1waj s ALA 437 Ca 0.15 -1.39 -0.31 0.00 0.00 0.00 0.00 51.96 50.41 1waj s ALA 437 Cb -0.13 -1.99 -0.12 0.00 0.00 0.00 0.00 23.12 20.89 1waj s ALA 437 CO 0.04 -0.65 1.66 -2.14 0.00 0.00 0.00 175.76 174.68 1waj s PRO 438 N -4.68 4.13 0.28 0.00 0.02 -1.26 -4.85 135.00 128.64 1waj s PRO 438 Ca 0.57 2.57 -0.06 0.00 0.02 0.00 0.00 61.00 64.10 1waj s PRO 438 Cb -0.10 -3.06 0.51 0.00 0.02 0.00 0.00 34.50 31.86 1waj s PRO 438 CO 0.37 -0.69 1.58 1.25 -0.33 0.00 0.00 177.00 179.17 1waj h LEU 439 N 6.12 -0.73 -0.99 -5.54 5.85 -1.96 0.20 115.31 118.25 1waj h LEU 439 Ca -0.44 0.27 0.19 0.00 0.84 0.00 0.00 57.88 58.74 1waj h LEU 439 Cb 1.21 0.54 -0.18 0.00 0.37 0.00 0.00 40.66 42.60 1waj h LEU 439 CO 0.90 -0.31 -0.28 -0.74 -0.34 0.00 0.00 178.44 177.66 1waj h HIS 440 N 0.01 -0.67 0.00 1.25 2.76 -1.98 0.79 115.15 117.31 1waj h HIS 440 Ca 0.48 0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.75 1waj h HIS 440 Cb 0.82 0.45 -0.00 0.00 1.55 0.00 0.00 27.41 30.23 1waj h HIS 440 CO -0.65 -0.42 -0.00 -0.44 -1.30 0.00 0.00 177.93 175.12 1waj h ASP 441 N -0.00 0.00 -0.01 3.26 3.32 -0.96 -2.23 116.42 119.79 1waj h ASP 441 Ca 0.44 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.26 1waj h ASP 441 Cb 0.69 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.26 1waj h ASP 441 CO -1.01 0.00 -0.91 1.88 -1.72 0.00 0.00 179.24 177.48 1waj h TYR 442 N 0.00 0.94 0.00 4.55 0.05 0.56 -1.80 116.97 121.27 1waj h TYR 442 Ca -0.00 -0.50 0.00 0.00 0.05 0.00 0.00 58.73 58.28 1waj h TYR 442 Cb 0.01 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.64 1waj h TYR 442 CO 0.00 1.34 0.00 0.44 -1.05 0.00 0.00 178.16 178.89 1waj n ILE 443 N -3.95 0.00 -0.01 -2.88 -5.35 -0.71 -0.33 119.36 106.13 1waj n ILE 443 Ca -0.11 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.38 1waj n ILE 443 Cb 0.82 -0.81 0.02 0.00 -1.74 0.00 0.00 39.64 37.93 1waj n ILE 443 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1waj n ASN 444 N -1.00 1.95 -0.53 7.28 3.02 -1.16 -4.56 115.26 120.26 1waj n ASN 444 Ca 0.09 -1.85 -0.06 0.00 -0.03 0.00 0.00 54.58 52.74 1waj n ASN 444 Cb 0.04 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 1waj n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1waj n ALA 445 N -0.30 -0.08 -0.03 5.41 0.00 0.55 -4.77 120.51 121.28 1waj n ALA 445 Ca 0.01 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1waj n ALA 445 Cb 0.23 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 1waj n ALA 445 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1waj h VAL 446 N 0.00 1.43 -3.57 0.00 2.07 -1.58 -3.44 116.25 111.15 1waj h VAL 446 Ca -0.11 -1.32 -0.56 0.00 0.82 0.00 0.00 66.70 65.53 1waj h VAL 446 Cb 0.83 2.27 0.18 0.00 -1.52 0.00 0.00 31.29 33.04 1waj h VAL 446 CO 0.17 0.35 -0.08 0.00 0.02 0.00 0.00 177.57 178.02 1waj n ALA 447 N -2.39 -0.73 -1.75 1.67 0.00 -0.83 -4.91 120.51 111.56 1waj n ALA 447 Ca -0.08 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 52.74 1waj n ALA 447 Cb 0.30 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 1waj n ALA 447 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1waj s GLU 448 N -3.14 4.78 -0.03 0.00 2.12 -1.26 -4.95 118.70 116.22 1waj s GLU 448 Ca 0.70 1.53 -0.32 0.00 0.36 0.00 0.00 54.97 57.25 1waj s GLU 448 Cb -0.34 -3.21 -0.10 0.00 0.26 0.00 0.00 34.13 30.74 1waj s GLU 448 CO 0.53 0.43 1.96 -2.13 -0.54 0.00 0.00 175.26 175.52 1waj n ARG 449 N 1.32 2.53 -0.09 4.30 0.63 -1.26 -5.00 116.66 119.09 1waj n ARG 449 Ca -0.01 0.91 -0.04 0.00 -0.92 0.00 0.00 57.85 57.79 1waj n ARG 449 Cb 0.47 -2.88 0.04 0.00 0.45 0.00 0.00 32.46 30.54 1waj n ARG 449 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1waj n PRO 450 N 7.31 -1.89 0.00 -0.14 -0.02 -1.26 -4.86 135.00 134.14 1waj n PRO 450 Ca 0.22 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1waj n PRO 450 Cb 0.36 -0.25 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 1waj n PRO 450 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1waj n SER 451 N -3.34 0.00 -0.40 2.55 2.88 -1.26 -4.86 113.62 109.18 1waj n SER 451 Ca 0.02 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.70 1waj n SER 451 Cb 0.09 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.02 1waj n SER 451 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1waj n ASP 452 N 0.00 1.35 -0.20 -3.46 9.92 -1.26 -4.02 116.55 118.88 1waj n ASP 452 Ca 0.00 -1.30 0.00 0.00 -0.53 0.00 0.00 54.79 52.96 1waj n ASP 452 Cb 0.00 0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1waj n ASP 452 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1waj n VAL 453 N -0.10 0.01 -4.32 2.53 0.24 -1.26 -5.11 118.33 110.33 1waj n VAL 453 Ca 0.17 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.34 62.27 1waj n VAL 453 Cb 0.35 0.80 -0.13 0.00 -1.47 0.00 0.00 33.84 33.39 1waj n VAL 453 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1waj s TYR 454 N -0.01 1.05 -0.22 6.34 2.02 -1.26 -4.38 117.35 120.90 1waj s TYR 454 Ca 0.00 -0.32 -0.28 0.00 -0.37 0.00 0.00 57.07 56.09 1waj s TYR 454 Cb 0.00 -0.63 0.01 0.00 -0.40 0.00 0.00 41.96 40.93 1waj s TYR 454 CO 0.00 0.01 1.00 0.45 -1.57 0.00 0.00 175.55 175.44 1waj s SER 455 N -0.98 7.07 0.27 2.29 0.15 -0.48 -4.63 113.70 117.40 1waj s SER 455 Ca 0.00 1.34 0.07 0.00 0.70 0.00 0.00 55.95 58.06 1waj s SER 455 Cb -0.07 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 61.66 1waj s SER 455 CO 0.01 -0.62 -0.07 0.00 1.20 0.00 0.00 173.24 173.75 1waj s SER 457 N -3.44 4.49 0.00 0.00 0.15 -1.26 -4.85 113.70 108.79 1waj s SER 457 Ca 0.29 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.58 1waj s SER 457 Cb 0.03 -0.87 0.33 0.00 -1.71 0.00 0.00 66.02 63.80 1waj s SER 457 CO 0.12 0.14 0.94 -2.65 1.20 0.00 0.00 173.24 172.99 1waj n PRO 458 N 0.35 0.14 0.00 5.44 -0.02 -1.26 -1.52 135.00 138.12 1waj n PRO 458 Ca -0.12 0.12 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1waj n PRO 458 Cb 0.54 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.59 1waj n PRO 458 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1waj n ASN 459 N -1.15 1.27 -0.23 2.55 2.04 -1.26 -4.75 115.26 113.72 1waj n ASN 459 Ca 0.04 -1.03 0.00 0.00 -0.44 0.00 0.00 54.58 53.15 1waj n ASN 459 Cb 0.03 0.55 0.00 0.00 -2.53 0.00 0.00 39.78 37.83 1waj n ASN 459 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1waj n GLY 460 N 1.44 -0.59 2.02 4.83 0.00 -0.58 -4.86 105.19 107.45 1waj n GLY 460 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1waj n GLY 460 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1waj n MET 461 N -0.00 0.00 -1.63 1.61 2.81 -1.22 -4.43 117.12 114.26 1waj n MET 461 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1waj n MET 461 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1waj n MET 461 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1waj n MET 462 N -3.23 -3.66 -4.24 0.03 2.81 -1.21 -3.48 117.12 104.14 1waj n MET 462 Ca 0.00 2.77 -0.18 0.00 -1.81 0.00 0.00 57.70 58.48 1waj n MET 462 Cb 0.00 -2.95 -0.11 0.00 -0.71 0.00 0.00 33.22 29.45 1waj n MET 462 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1waj s TYR 463 N -0.36 1.43 0.46 2.03 1.51 0.14 -1.05 117.35 121.50 1waj s TYR 463 Ca 0.00 -0.54 -0.25 0.00 -1.01 0.00 0.00 57.07 55.28 1waj s TYR 463 Cb 0.00 -0.75 -0.08 0.00 -0.11 0.00 0.00 41.96 41.02 1waj s TYR 463 CO 0.00 0.15 1.32 0.66 -1.11 0.00 0.00 175.55 176.57 1waj n TYR 464 N 0.59 2.27 0.08 2.71 4.02 -0.84 -1.39 117.16 124.61 1waj n TYR 464 Ca -0.16 0.47 0.12 0.00 -0.01 0.00 0.00 57.90 58.32 1waj n TYR 464 Cb 0.57 -2.39 0.25 0.00 -0.02 0.00 0.00 39.34 37.75 1waj n TYR 464 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1waj n LYS 465 N -0.22 2.59 0.00 -0.72 5.02 -1.26 -4.73 118.16 118.83 1waj n LYS 465 Ca 0.07 -2.43 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 1waj n LYS 465 Cb 0.41 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1waj n LYS 465 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1waj n ASP 466 N 1.56 0.00 -4.09 4.39 5.75 -1.26 -4.98 116.55 117.92 1waj n ASP 466 Ca 0.21 0.00 -0.54 0.00 -0.01 0.00 0.00 54.79 54.45 1waj n ASP 466 Cb 0.62 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.63 1waj n ASP 466 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1waj n ARG 467 N 0.00 0.00 -2.81 0.11 1.74 -1.26 -4.84 116.66 109.60 1waj n ARG 467 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1waj n ARG 467 Cb 0.00 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1waj n ARG 467 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1waj s ASP 468 N 0.35 6.96 0.20 0.55 1.01 -1.26 -4.93 116.67 119.55 1waj s ASP 468 Ca 0.84 1.20 -0.32 0.00 0.71 0.00 0.00 52.55 54.98 1waj s ASP 468 Cb -1.17 -2.48 -0.12 0.00 1.01 0.00 0.00 42.92 40.16 1waj s ASP 468 CO 0.54 -0.54 1.70 -0.83 0.21 0.00 0.00 175.17 176.26 1waj s GLY 469 N 1.25 1.26 0.26 0.21 0.00 -1.26 -4.85 107.32 104.19 1waj s GLY 469 Ca 0.39 1.55 -0.11 0.00 0.00 0.00 0.00 44.72 46.56 1waj s GLY 469 CO 0.08 2.85 1.57 -2.08 0.00 0.00 0.00 173.10 175.52 1waj h VAL 470 N 3.87 0.04 0.61 1.40 2.07 -1.94 0.90 116.25 123.21 1waj h VAL 470 Ca -0.43 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1waj h VAL 470 Cb 1.20 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1waj h VAL 470 CO 0.95 0.00 -0.29 0.58 0.02 0.00 0.00 177.57 178.83 1waj h VAL 471 N -0.01 0.02 -0.83 2.57 2.07 -1.91 -1.77 116.25 116.39 1waj h VAL 471 Ca 0.43 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.68 1waj h VAL 471 Cb 0.67 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 1waj h VAL 471 CO -0.97 0.00 0.44 1.55 0.02 0.00 0.00 177.57 178.61 1waj h PRO 472 N -1.21 0.65 0.00 1.57 0.13 -1.59 0.43 132.00 131.98 1waj h PRO 472 Ca -0.08 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1waj h PRO 472 Cb 0.63 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1waj h PRO 472 CO 0.14 0.43 -0.11 1.79 -0.23 0.00 0.00 178.00 180.02 1waj h THR 473 N 0.67 0.88 0.01 1.56 1.35 -0.89 -0.70 112.91 115.80 1waj h THR 473 Ca 0.43 -0.39 -0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1waj h THR 473 Cb 0.53 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1waj h THR 473 CO -0.32 0.10 -0.00 -0.08 -0.25 0.00 0.00 175.52 174.97 1waj h GLU 474 N 0.00 -0.01 0.12 4.72 4.57 0.69 -2.79 114.58 121.88 1waj h GLU 474 Ca -0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1waj h GLU 474 Cb 0.21 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1waj h GLU 474 CO 0.01 0.51 -0.20 0.82 -1.18 0.00 0.00 179.01 178.97 1waj h ILE 475 N -0.53 0.54 -0.95 2.32 2.04 -0.60 -2.61 117.51 117.72 1waj h ILE 475 Ca -0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1waj h ILE 475 Cb 0.52 0.54 -0.16 0.00 -0.74 0.00 0.00 36.82 36.98 1waj h ILE 475 CO 0.00 0.00 -0.32 0.41 0.00 0.00 0.00 178.15 178.24 1waj n THR 476 N -5.33 -0.46 -0.04 -0.27 -1.04 -0.30 -0.55 114.28 106.29 1waj n THR 476 Ca -0.07 2.21 -0.08 0.00 -2.04 0.00 0.00 64.05 64.07 1waj n THR 476 Cb 0.24 -2.97 -0.02 0.00 -1.82 0.00 0.00 70.33 65.76 1waj n THR 476 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1waj h LYS 477 N 0.00 -0.23 -0.32 -2.82 1.57 -1.18 0.33 116.57 113.94 1waj h LYS 477 Ca 0.38 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.21 1waj h LYS 477 Cb 0.62 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1waj h LYS 477 CO -0.96 -0.15 0.10 0.28 -0.57 0.00 0.00 179.45 178.15 1waj h VAL 478 N -0.23 0.89 0.00 0.50 2.07 -0.78 0.19 116.25 118.89 1waj h VAL 478 Ca 0.13 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1waj h VAL 478 Cb 0.43 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1waj h VAL 478 CO -0.36 0.04 -0.06 0.15 0.02 0.00 0.00 177.57 177.36 1waj h PHE 479 N 0.22 0.00 -0.04 1.57 3.04 0.35 -0.87 116.94 121.21 1waj h PHE 479 Ca 0.14 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.04 1waj h PHE 479 Cb 0.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1waj h PHE 479 CO -0.15 0.06 -0.21 -0.91 -2.02 0.00 0.00 178.31 175.08 1waj h ASN 480 N 0.00 0.24 -0.64 0.41 2.35 0.14 -3.21 115.58 114.88 1waj h ASN 480 Ca -0.00 -0.68 0.10 0.00 -0.55 0.00 0.00 56.30 55.17 1waj h ASN 480 Cb 0.12 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.34 1waj h ASN 480 CO 0.01 0.88 0.26 1.56 -1.65 0.00 0.00 177.43 178.49 1waj h GLN 481 N -0.37 0.44 -0.88 0.81 4.20 0.51 -0.77 115.11 119.05 1waj h GLN 481 Ca -0.02 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.68 1waj h GLN 481 Cb 0.88 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.52 1waj h GLN 481 CO 0.04 0.29 0.58 -0.09 -0.67 0.00 0.00 178.83 178.99 1waj h ARG 482 N 0.45 1.16 -0.61 1.46 2.43 -1.31 0.59 114.38 118.55 1waj h ARG 482 Ca 0.32 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1waj h ARG 482 Cb 0.39 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1waj h ARG 482 CO -0.30 0.77 0.31 -0.22 -1.51 0.00 0.00 179.97 179.01 1waj h LYS 483 N 1.19 0.85 0.54 0.20 3.64 -1.30 0.23 116.57 121.92 1waj h LYS 483 Ca 0.33 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1waj h LYS 483 Cb -0.13 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1waj h LYS 483 CO -0.07 0.65 -0.26 1.49 -2.27 0.00 0.00 179.45 178.98 1waj h GLU 484 N 0.85 -0.70 -0.54 1.90 4.81 0.12 -2.73 114.58 118.29 1waj h GLU 484 Ca 0.21 0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1waj h GLU 484 Cb 0.06 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1waj h GLU 484 CO -0.03 -0.39 -0.11 0.45 -0.73 0.00 0.00 179.01 178.20 1waj h HIS 485 N -0.99 1.14 -0.50 0.92 3.86 -0.75 -1.61 115.15 117.23 1waj h HIS 485 Ca -0.07 -0.24 0.05 0.00 -1.16 0.00 0.00 60.37 58.95 1waj h HIS 485 Cb 0.63 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1waj h HIS 485 CO 0.00 1.06 0.33 -0.22 0.86 0.00 0.00 177.93 179.97 1waj h LYS 486 N 0.90 0.45 0.46 2.45 3.64 -0.64 -0.18 116.57 123.64 1waj h LYS 486 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1waj h LYS 486 Cb 0.68 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1waj h LYS 486 CO 0.05 0.30 -0.22 0.78 -2.27 0.00 0.00 179.45 178.08 1waj h GLY 487 N 0.46 -0.65 0.61 5.01 0.00 -0.98 -2.51 103.07 105.02 1waj h GLY 487 Ca 0.21 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.80 1waj h GLY 487 CO -0.06 -0.24 -0.26 -0.97 0.00 0.00 0.00 176.54 175.02 1waj h TYR 488 N -0.62 -0.70 -1.02 5.60 0.05 -0.67 -1.99 116.97 117.61 1waj h TYR 488 Ca -0.06 0.01 0.32 0.00 0.05 0.00 0.00 58.73 59.05 1waj h TYR 488 Cb 0.48 0.28 -0.15 0.00 1.01 0.00 0.00 36.73 38.35 1waj h TYR 488 CO -0.05 -0.37 0.59 1.98 -1.05 0.00 0.00 178.16 179.26 1waj h MET 489 N -0.51 0.31 -0.02 4.88 1.85 -1.02 0.33 114.93 120.75 1waj h MET 489 Ca 0.01 -0.02 -0.22 0.00 -0.61 0.00 0.00 59.70 58.87 1waj h MET 489 Cb 0.50 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.46 1waj h MET 489 CO -0.11 0.21 -0.89 -0.07 -0.40 0.00 0.00 176.91 175.65 1waj h LEU 490 N 0.32 0.53 0.55 3.39 3.38 -0.98 -3.24 115.31 119.25 1waj h LEU 490 Ca 0.73 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 1waj h LEU 490 Cb 1.71 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.30 1waj h LEU 490 CO -0.58 1.19 -0.26 0.00 0.09 0.00 0.00 178.44 178.88 1waj h ALA 491 N 0.78 -0.73 0.00 1.53 0.00 0.35 -2.53 119.26 118.65 1waj h ALA 491 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1waj h ALA 491 Cb 1.51 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1waj h ALA 491 CO 0.15 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 178.61 1waj n ALA 492 N -2.55 1.43 -0.11 0.00 0.00 -0.68 -0.27 120.51 118.32 1waj n ALA 492 Ca -0.11 -0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 1waj n ALA 492 Cb 0.33 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 1waj n ALA 492 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1waj n GLN 493 N -1.20 0.56 0.24 0.00 7.27 -1.09 -2.30 117.38 120.85 1waj n GLN 493 Ca 0.02 0.48 0.15 0.00 0.07 0.00 0.00 57.00 57.72 1waj n GLN 493 Cb 0.02 -1.66 0.55 0.00 2.41 0.00 0.00 30.24 31.56 1waj n GLN 493 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1waj h ARG 494 N -1.00 0.00 0.02 3.69 3.08 -0.96 -0.85 114.38 118.37 1waj h ARG 494 Ca -0.39 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.42 1waj h ARG 494 Cb 1.29 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 1waj h ARG 494 CO -0.24 0.00 -1.18 -0.91 -1.07 0.00 0.00 179.97 176.57 1waj h ASN 495 N 0.00 0.06 -0.08 7.04 4.21 -0.79 -3.15 115.58 122.88 1waj h ASN 495 Ca 0.00 -0.08 -0.05 0.00 1.21 0.00 0.00 56.30 57.38 1waj h ASN 495 Cb 0.60 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.76 1waj h ASN 495 CO 0.00 1.06 -0.09 1.23 -1.29 0.00 0.00 177.43 178.34 1waj h GLY 496 N 2.87 0.39 0.91 2.83 0.00 -0.77 -2.75 103.07 106.55 1waj h GLY 496 Ca -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1waj h GLY 496 CO 0.13 0.22 0.10 0.83 0.00 0.00 0.00 176.54 177.82 1waj h GLU 497 N 0.34 0.52 -0.87 4.80 4.39 -1.27 -2.55 114.58 119.94 1waj h GLU 497 Ca 0.07 -0.11 0.18 0.00 0.34 0.00 0.00 59.36 59.84 1waj h GLU 497 Cb 0.38 -0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 28.85 1waj h GLU 497 CO 0.02 0.56 0.42 0.82 -1.16 0.00 0.00 179.01 179.67 1waj h ILE 498 N 0.38 0.61 0.00 3.13 5.03 -1.49 -1.43 117.51 123.75 1waj h ILE 498 Ca 0.11 -0.18 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1waj h ILE 498 Cb 0.26 0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.09 1waj h ILE 498 CO -0.00 0.10 -0.00 0.40 -0.68 0.00 0.00 178.15 177.96 1waj h ILE 499 N 0.52 1.46 -0.95 -0.67 2.04 -1.47 -2.87 117.51 115.57 1waj h ILE 499 Ca 0.51 -1.37 0.20 0.00 1.00 0.00 0.00 64.86 65.20 1waj h ILE 499 Cb 0.84 2.39 -0.08 0.00 -0.74 0.00 0.00 36.82 39.23 1waj h ILE 499 CO -0.44 0.35 0.61 0.11 0.00 0.00 0.00 178.15 178.79 1waj h LYS 500 N -0.59 0.53 -0.01 2.37 1.57 -0.97 -2.54 116.57 116.93 1waj h LYS 500 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1waj h LYS 500 Cb 0.58 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1waj h LYS 500 CO 0.00 0.35 -0.05 1.49 -0.57 0.00 0.00 179.45 180.67 1waj h GLU 501 N 0.54 0.04 0.00 3.15 4.22 -1.31 -3.28 114.58 117.94 1waj h GLU 501 Ca 0.52 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.92 1waj h GLU 501 Cb 1.09 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1waj h GLU 501 CO -0.25 0.73 0.00 0.00 -2.18 0.00 0.00 179.01 177.31 1waj n ALA 502 N -2.46 1.89 0.67 2.92 0.00 -0.99 -2.81 120.51 119.74 1waj n ALA 502 Ca -0.09 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1waj n ALA 502 Cb 0.37 -1.22 0.39 0.00 0.00 0.00 0.00 19.45 18.99 1waj n ALA 502 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1waj n LEU 503 N -1.14 0.69 0.10 0.00 4.77 -1.03 -3.60 117.00 116.79 1waj n LEU 503 Ca 0.08 0.50 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 1waj n LEU 503 Cb 0.08 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1waj n LEU 503 CO 0.09 -0.13 0.30 0.45 -1.33 0.00 0.00 177.39 176.77 1waj h HIS 504 N 0.00 0.00 -2.46 -1.77 3.86 -1.72 -3.26 115.15 109.79 1waj h HIS 504 Ca 0.00 0.00 -0.69 0.00 -1.16 0.00 0.00 60.37 58.52 1waj h HIS 504 Cb 0.70 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 28.82 1waj h HIS 504 CO 0.00 0.76 0.02 0.09 0.86 0.00 0.00 177.93 179.66 1waj n ASN 505 N -3.30 5.06 -3.18 2.45 3.02 -1.24 -5.04 115.26 113.04 1waj n ASN 505 Ca 0.01 -3.48 0.00 0.00 -0.03 0.00 0.00 54.58 51.08 1waj n ASN 505 Cb 0.84 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1waj n ASN 505 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1waj n PRO 506 N 0.83 1.48 0.00 3.52 -0.05 -1.23 -4.98 135.00 134.57 1waj n PRO 506 Ca 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.75 1waj n PRO 506 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.82 1waj n PRO 506 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1waj n ASN 507 N 0.00 0.00 -2.99 3.54 2.04 -1.24 -4.89 115.26 111.72 1waj n ASN 507 Ca 0.00 0.00 -0.15 0.00 -0.44 0.00 0.00 54.58 53.99 1waj n ASN 507 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1waj n ASN 507 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1waj n LEU 508 N 0.00 -0.85 0.00 -4.53 4.32 -1.26 -4.93 117.00 109.75 1waj n LEU 508 Ca 0.00 -4.28 0.00 0.00 -0.02 0.00 0.00 56.01 51.71 1waj n LEU 508 Cb 0.00 0.77 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 1waj n LEU 508 CO 0.00 2.12 0.00 -1.54 -1.22 0.00 0.00 177.39 176.75 1waj n SER 509 N 0.89 0.00 -4.13 -1.43 3.41 -1.26 -4.70 113.62 106.40 1waj n SER 509 Ca 0.16 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.43 1waj n SER 509 Cb 0.63 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.45 1waj n SER 509 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1waj s VAL 510 N 0.00 2.97 0.00 -3.33 1.01 -1.26 -4.73 120.40 115.06 1waj s VAL 510 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1waj s VAL 510 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1waj s VAL 510 CO 0.00 -0.41 0.00 0.47 0.00 0.00 0.00 175.10 175.16 1waj n ASP 511 N 4.55 1.32 -4.38 3.32 8.00 -1.26 -5.11 116.55 122.98 1waj n ASP 511 Ca -0.06 -0.94 -0.32 0.00 0.71 0.00 0.00 54.79 54.18 1waj n ASP 511 Cb 0.42 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.38 1waj n ASP 511 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1waj s GLU 512 N -1.81 2.80 1.06 -1.24 0.41 -1.26 -4.59 118.70 114.07 1waj s GLU 512 Ca 0.00 -0.75 -0.14 0.00 -0.41 0.00 0.00 54.97 53.67 1waj s GLU 512 Cb 0.00 -2.40 0.22 0.00 -1.78 0.00 0.00 34.13 30.17 1waj s GLU 512 CO 0.00 0.42 1.09 -1.25 -0.49 0.00 0.00 175.26 175.03 1waj s PRO 513 N -0.22 -0.06 0.30 0.39 0.04 -1.26 -4.96 135.00 129.22 1waj s PRO 513 Ca -0.00 0.41 0.08 0.00 0.04 0.00 0.00 61.00 61.53 1waj s PRO 513 Cb -0.13 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1waj s PRO 513 CO 0.03 -3.04 0.17 -0.51 0.04 0.00 0.00 177.00 173.69 1waj s LEU 514 N -6.63 3.51 -0.86 -3.56 1.02 -1.26 -5.06 118.68 105.83 1waj s LEU 514 Ca 0.67 -0.51 -0.22 0.00 0.02 0.00 0.00 54.13 54.08 1waj s LEU 514 Cb -0.18 -2.05 0.08 0.00 0.02 0.00 0.00 46.19 44.07 1waj s LEU 514 CO 0.58 -0.17 1.21 -1.81 0.02 0.00 0.00 176.35 176.18 1waj s ASP 515 N -3.85 6.41 0.01 2.29 1.01 -1.26 -4.95 116.67 116.34 1waj s ASP 515 Ca 0.36 -1.38 0.00 0.00 0.71 0.00 0.00 52.55 52.24 1waj s ASP 515 Cb -0.06 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1waj s ASP 515 CO 0.24 -1.40 -0.02 0.68 0.21 0.00 0.00 175.17 174.87 1waj s VAL 516 N 4.16 0.14 0.15 -1.27 -7.23 -1.26 -5.12 120.40 109.97 1waj s VAL 516 Ca 0.34 -0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.83 1waj s VAL 516 Cb -0.07 -0.19 -0.07 0.00 0.56 0.00 0.00 36.38 36.62 1waj s VAL 516 CO -0.01 -0.15 0.97 -0.62 -0.31 0.00 0.00 175.10 174.97 1waj s ASP 517 N -0.56 7.51 -0.00 4.85 -1.08 -1.26 -4.95 116.67 121.17 1waj s ASP 517 Ca -0.05 1.87 0.22 0.00 -0.52 0.00 0.00 52.55 54.07 1waj s ASP 517 Cb -0.04 -2.60 -0.23 0.00 -1.46 0.00 0.00 42.92 38.59 1waj s ASP 517 CO -0.00 -0.02 0.75 -1.22 0.52 0.00 0.00 175.17 175.20 1waj n TYR 518 N 2.38 0.05 -0.14 -5.34 4.02 -1.26 -4.52 117.16 112.34 1waj n TYR 518 Ca 0.01 0.01 0.09 0.00 -0.01 0.00 0.00 57.90 58.00 1waj n TYR 518 Cb 0.48 -0.28 0.41 0.00 -0.02 0.00 0.00 39.34 39.94 1waj n TYR 518 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1waj h ARG 519 N 0.00 0.59 -6.03 -0.72 -0.00 -1.92 -3.24 114.38 103.06 1waj h ARG 519 Ca 0.00 -0.04 -0.55 0.00 -0.50 0.00 0.00 59.98 58.90 1waj h ARG 519 Cb 0.74 -0.13 -0.05 0.00 0.00 0.00 0.00 29.97 30.53 1waj h ARG 519 CO 0.00 0.39 -0.35 -0.06 0.00 0.00 0.00 179.97 179.95 1waj s PHE 520 N -5.56 2.13 0.78 3.04 0.08 -1.26 -4.28 117.98 112.91 1waj s PHE 520 Ca -0.09 -0.68 -0.11 0.00 0.12 0.00 0.00 56.93 56.17 1waj s PHE 520 Cb 0.20 -2.02 0.06 0.00 -0.57 0.00 0.00 43.02 40.69 1waj s PHE 520 CO 0.76 -0.28 1.09 -0.51 -0.10 0.00 0.00 175.22 176.18 1waj s ASP 521 N -4.19 4.49 0.14 1.36 1.01 -1.26 -4.75 116.67 113.47 1waj s ASP 521 Ca 0.41 1.79 -0.16 0.00 0.71 0.00 0.00 52.55 55.30 1waj s ASP 521 Cb -0.02 -2.50 -0.00 0.00 1.01 0.00 0.00 42.92 41.41 1waj s ASP 521 CO 0.24 -2.04 1.73 -0.26 0.21 0.00 0.00 175.17 175.05 1waj h PHE 522 N -1.13 0.55 -0.44 4.23 0.04 -1.95 -3.51 116.94 114.74 1waj h PHE 522 Ca -0.44 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1waj h PHE 522 Cb 1.23 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1waj h PHE 522 CO 0.57 0.45 0.00 0.45 -0.60 0.00 0.00 178.31 179.18 1waj n SER 523 N -4.72 -1.81 -0.30 2.17 2.88 -1.26 -4.26 113.62 106.32 1waj n SER 523 Ca -0.00 0.00 0.33 0.00 -1.33 0.00 0.00 58.87 57.87 1waj n SER 523 Cb 0.10 0.03 0.72 0.00 -0.75 0.00 0.00 64.21 64.31 1waj n SER 523 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1waj h ASP 524 N 0.00 0.05 -0.07 -3.46 5.19 -1.97 0.28 116.42 116.44 1waj h ASP 524 Ca 0.00 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 1waj h ASP 524 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1waj h ASP 524 CO 0.00 0.01 -0.14 -0.08 -3.12 0.00 0.00 179.24 175.91 1waj h GLU 525 N 0.05 -0.20 0.00 3.56 4.22 -2.01 -2.08 114.58 118.11 1waj h GLU 525 Ca 0.55 0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.89 1waj h GLU 525 Cb 2.11 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.38 1waj h GLU 525 CO -0.04 -0.13 -1.09 0.82 -2.18 0.00 0.00 179.01 176.39 1waj h ILE 526 N -0.20 0.42 0.00 2.32 1.08 -1.21 -3.14 117.51 116.77 1waj h ILE 526 Ca 0.07 -1.76 -0.00 0.00 -0.39 0.00 0.00 64.86 62.78 1waj h ILE 526 Cb 0.30 1.98 -0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1waj h ILE 526 CO -0.19 0.24 -0.01 0.11 -0.69 0.00 0.00 178.15 177.61 1waj h LYS 527 N 0.00 0.00 0.00 2.37 1.57 -0.30 -2.75 116.57 117.47 1waj h LYS 527 Ca -0.09 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1waj h LYS 527 Cb 1.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.68 1waj h LYS 527 CO 0.04 0.01 -0.82 -1.91 -0.57 0.00 0.00 179.45 176.20 1waj n GLU 528 N -3.70 0.50 0.29 3.15 4.07 -0.80 -4.01 120.64 120.12 1waj n GLU 528 Ca -0.03 0.54 0.12 0.00 -0.06 0.00 0.00 57.16 57.73 1waj n GLU 528 Cb 0.10 -1.71 0.58 0.00 -0.06 0.00 0.00 31.44 30.34 1waj n GLU 528 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1waj h LYS 529 N -1.00 0.00 -0.25 5.31 1.57 -1.54 0.80 116.57 121.46 1waj h LYS 529 Ca -0.14 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1waj h LYS 529 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1waj h LYS 529 CO -0.09 0.00 -0.11 0.82 -0.57 0.00 0.00 179.45 179.51 1waj h ILE 530 N 0.00 1.30 -0.53 1.86 1.08 -1.62 -2.92 117.51 116.68 1waj h ILE 530 Ca 0.04 -1.17 0.08 0.00 -0.39 0.00 0.00 64.86 63.42 1waj h ILE 530 Cb 1.16 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 36.42 1waj h ILE 530 CO -0.00 0.37 0.36 0.11 -0.69 0.00 0.00 178.15 178.29 1waj h LYS 531 N 0.24 0.36 0.00 2.37 1.57 -0.98 -0.52 116.57 119.61 1waj h LYS 531 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1waj h LYS 531 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1waj h LYS 531 CO 0.03 0.24 0.00 1.17 -0.57 0.00 0.00 179.45 180.32 1waj n LYS 532 N -4.47 0.47 -2.59 3.15 4.81 -1.10 -4.88 118.16 113.56 1waj n LYS 532 Ca 0.08 0.04 -0.27 0.00 -0.87 0.00 0.00 58.31 57.29 1waj n LYS 532 Cb 0.32 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 33.88 1waj n LYS 532 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1waj s LEU 533 N -2.19 3.51 0.43 3.14 2.01 -0.21 -4.62 118.68 120.75 1waj s LEU 533 Ca 0.24 0.82 0.04 0.00 0.01 0.00 0.00 54.13 55.24 1waj s LEU 533 Cb 0.12 -3.73 0.01 0.00 0.01 0.00 0.00 46.19 42.61 1waj s LEU 533 CO 0.23 -0.74 0.61 -0.94 1.01 0.00 0.00 176.35 176.53 1waj s SER 534 N -4.18 5.72 0.00 2.29 1.04 -1.26 -3.69 113.70 113.62 1waj s SER 534 Ca 0.49 -0.06 0.17 0.00 0.48 0.00 0.00 55.95 57.03 1waj s SER 534 Cb -0.10 -1.13 0.73 0.00 0.10 0.00 0.00 66.02 65.62 1waj s SER 534 CO 0.44 -0.73 1.54 0.00 0.98 0.00 0.00 173.24 175.47 1waj n ALA 535 N -1.96 1.78 -0.11 5.32 0.00 -1.26 -0.94 120.51 123.34 1waj n ALA 535 Ca 0.04 -0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1waj n ALA 535 Cb 0.58 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 1waj n ALA 535 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1waj n LYS 536 N -1.49 0.56 -0.19 0.00 0.00 -1.26 -4.41 118.16 111.37 1waj n LYS 536 Ca 0.04 0.51 -0.09 0.00 0.00 0.00 0.00 58.31 58.78 1waj n LYS 536 Cb 0.19 -1.69 0.02 0.00 0.00 0.00 0.00 35.03 33.55 1waj n LYS 536 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1waj h SER 537 N -1.00 0.82 -1.47 3.14 0.02 -1.79 -3.33 113.55 109.94 1waj h SER 537 Ca -0.38 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1waj h SER 537 Cb 1.30 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1waj h SER 537 CO -0.23 0.83 0.00 0.18 -1.14 0.00 0.00 176.83 176.47 1waj n LEU 538 N -4.42 0.00 0.00 5.07 4.77 -0.11 -2.02 117.00 120.28 1waj n LEU 538 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1waj n LEU 538 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1waj n LEU 538 CO 0.40 -0.56 0.00 -3.20 -1.33 0.00 0.00 177.39 172.70 1waj n ASN 539 N -2.42 0.00 -0.10 -1.43 2.85 -1.26 -3.50 115.26 109.40 1waj n ASN 539 Ca 0.00 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.35 1waj n ASN 539 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 1waj n ASN 539 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1waj h GLU 540 N 0.00 0.64 -0.92 1.20 4.57 -1.68 -1.59 114.58 116.80 1waj h GLU 540 Ca 0.00 -0.28 0.06 0.00 -1.18 0.00 0.00 59.36 57.96 1waj h GLU 540 Cb 0.00 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 1waj h GLU 540 CO 0.00 0.86 0.60 1.98 -1.18 0.00 0.00 179.01 181.27 1waj h MET 541 N 0.40 1.05 0.19 1.92 4.05 -1.44 -2.38 114.93 118.72 1waj h MET 541 Ca 0.07 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1waj h MET 541 Cb 0.67 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1waj h MET 541 CO 0.04 0.70 -0.09 1.25 0.23 0.00 0.00 176.91 179.04 1waj h LEU 542 N 1.08 -0.22 -0.93 3.39 6.46 -1.78 -3.13 115.31 120.18 1waj h LEU 542 Ca 0.39 -0.20 0.17 0.00 -0.12 0.00 0.00 57.88 58.12 1waj h LEU 542 Cb 0.15 0.06 -0.17 0.00 -0.73 0.00 0.00 40.66 39.97 1waj h LEU 542 CO -0.14 0.09 -0.30 0.15 -0.62 0.00 0.00 178.44 177.62 1waj h PHE 543 N -0.53 -0.73 -0.67 1.25 3.57 -0.77 0.49 116.94 119.54 1waj h PHE 543 Ca -0.03 0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.63 1waj h PHE 543 Cb 0.40 0.46 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1waj h PHE 543 CO 0.01 -0.40 0.44 0.00 -2.23 0.00 0.00 178.31 176.13 1waj h ARG 544 N -0.01 0.66 0.00 1.11 3.08 -1.46 0.27 114.38 118.03 1waj h ARG 544 Ca 0.40 -0.04 -0.19 0.00 0.07 0.00 0.00 59.98 60.22 1waj h ARG 544 Cb 0.65 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1waj h ARG 544 CO -0.95 0.44 -0.92 0.00 -1.07 0.00 0.00 179.97 177.47 1waj h ALA 545 N 1.64 0.48 -0.01 0.04 0.00 -0.12 -2.50 119.26 118.78 1waj h ALA 545 Ca 0.29 -0.83 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 1waj h ALA 545 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1waj h ALA 545 CO -0.09 1.15 -0.71 0.37 0.00 0.00 0.00 179.25 179.96 1waj h GLN 546 N 0.00 0.08 0.07 0.00 4.15 0.11 -2.26 115.11 117.26 1waj h GLN 546 Ca -0.01 -0.07 -0.26 0.00 0.77 0.00 0.00 58.65 59.08 1waj h GLN 546 Cb 1.63 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.32 1waj h GLN 546 CO 0.12 0.75 -1.29 -0.09 -1.93 0.00 0.00 178.83 176.39 1waj h ARG 547 N 0.05 0.15 0.00 1.69 2.43 -0.54 -3.08 114.38 115.08 1waj h ARG 547 Ca -0.01 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.81 1waj h ARG 547 Cb 1.26 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1waj h ARG 547 CO 0.10 1.05 -0.39 1.79 -1.51 0.00 0.00 179.97 181.01 1waj h THR 548 N 0.04 0.83 -0.07 0.20 1.35 -1.39 -1.49 112.91 112.37 1waj h THR 548 Ca -0.14 -1.64 -0.14 0.00 -0.55 0.00 0.00 66.41 63.94 1waj h THR 548 Cb 1.92 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 70.36 1waj h THR 548 CO 0.16 0.38 -0.58 -0.08 -0.25 0.00 0.00 175.52 175.14 1waj h GLU 549 N 0.00 0.23 -0.11 4.72 4.81 -1.45 0.28 114.58 123.05 1waj h GLU 549 Ca -0.00 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.93 1waj h GLU 549 Cb 1.00 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.41 1waj h GLU 549 CO 0.05 0.74 -0.52 0.28 -0.73 0.00 0.00 179.01 178.84 1waj h VAL 550 N 0.17 1.36 0.75 0.32 2.07 -1.39 -2.99 116.25 116.54 1waj h VAL 550 Ca -0.00 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.65 1waj h VAL 550 Cb 1.07 2.17 0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1waj h VAL 550 CO 0.09 0.55 -0.36 0.00 0.02 0.00 0.00 177.57 177.87 1waj h ALA 551 N 0.48 -1.19 -0.88 1.67 0.00 -1.13 -1.06 119.26 117.15 1waj h ALA 551 Ca -0.03 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.83 1waj h ALA 551 Cb 1.16 0.39 -0.17 0.00 0.00 0.00 0.00 17.79 19.17 1waj h ALA 551 CO 0.11 -1.11 -0.22 0.78 0.00 0.00 0.00 179.25 178.80 1waj h GLY 552 N -1.08 0.64 1.51 0.00 0.00 -1.06 0.10 103.07 103.18 1waj h GLY 552 Ca -0.10 0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.38 1waj h GLY 552 CO 0.17 -0.34 -0.44 0.00 0.00 0.00 0.00 176.54 175.93 1waj h MET 553 N 0.00 0.53 0.00 4.80 3.00 -1.46 -1.14 114.93 120.67 1waj h MET 553 Ca 0.42 -0.28 -0.02 0.00 0.00 0.00 0.00 59.70 59.82 1waj h MET 553 Cb 0.65 0.01 -0.00 0.00 0.00 0.00 0.00 31.60 32.26 1waj h MET 553 CO -0.91 0.87 -0.09 0.00 0.00 0.00 0.00 176.91 176.79 1waj h THR 554 N 0.43 0.62 0.17 -0.10 1.03 0.53 -0.47 112.91 115.12 1waj h THR 554 Ca 0.03 -0.37 -0.30 0.00 -0.01 0.00 0.00 66.41 65.76 1waj h THR 554 Cb 0.94 1.23 0.01 0.00 -1.07 0.00 0.00 68.15 69.27 1waj h THR 554 CO 0.08 0.09 -1.44 0.00 -0.01 0.00 0.00 175.52 174.24 1waj h ALA 555 N 1.91 0.05 -0.60 0.00 0.00 -0.95 -3.06 119.26 116.61 1waj h ALA 555 Ca -0.00 -0.99 0.04 0.00 0.00 0.00 0.00 54.91 53.96 1waj h ALA 555 Cb 0.22 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1waj h ALA 555 CO 0.01 0.78 0.34 0.37 0.00 0.00 0.00 179.25 180.76 1waj h GLN 556 N -0.09 0.64 -0.72 0.00 -0.00 -0.70 -2.13 115.11 112.13 1waj h GLN 556 Ca -0.28 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.29 1waj h GLN 556 Cb 1.94 -0.15 -0.03 0.00 0.00 0.00 0.00 27.48 29.24 1waj h GLN 556 CO 0.16 0.43 0.28 0.82 0.00 0.00 0.00 178.83 180.51 1waj h ILE 557 N 0.66 1.25 -0.20 2.39 1.08 -1.20 -2.64 117.51 118.84 1waj h ILE 557 Ca 0.26 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 63.98 1waj h ILE 557 Cb 0.10 0.40 -0.07 0.00 -3.07 0.00 0.00 36.82 34.17 1waj h ILE 557 CO -0.14 0.32 -0.50 -1.13 -0.69 0.00 0.00 178.15 176.01 1waj h ASN 558 N 1.04 -1.59 -0.40 1.72 -1.24 -1.28 -1.78 115.58 112.05 1waj h ASN 558 Ca 0.24 0.20 0.08 0.00 0.71 0.00 0.00 56.30 57.54 1waj h ASN 558 Cb 0.21 0.64 -0.09 0.00 0.73 0.00 0.00 38.32 39.81 1waj h ASN 558 CO -0.02 -0.45 -0.27 0.03 -1.29 0.00 0.00 177.43 175.43 1waj h ARG 559 N -0.50 -0.20 -0.98 6.67 2.47 -1.20 0.49 114.38 121.13 1waj h ARG 559 Ca 0.06 0.01 0.29 0.00 -1.26 0.00 0.00 59.98 59.09 1waj h ARG 559 Cb 0.65 0.05 -0.14 0.00 -1.65 0.00 0.00 29.97 28.87 1waj h ARG 559 CO -0.47 -0.13 0.52 -0.22 0.56 0.00 0.00 179.97 180.23 1waj h LYS 560 N -0.21 0.35 -0.11 0.04 3.64 -1.17 0.18 116.57 119.29 1waj h LYS 560 Ca 0.18 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1waj h LYS 560 Cb 0.50 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1waj h LYS 560 CO -0.51 0.23 -0.10 -0.07 -2.27 0.00 0.00 179.45 176.73 1waj h LEU 561 N 0.36 0.28 -0.08 5.20 3.38 -0.34 -2.88 115.31 121.23 1waj h LEU 561 Ca 0.69 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1waj h LEU 561 Cb 1.48 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1waj h LEU 561 CO -0.58 0.69 -0.43 -0.07 0.09 0.00 0.00 178.44 178.13 1waj h LEU 562 N -0.12 -1.37 -0.97 1.67 -0.00 -0.16 -1.01 115.31 113.34 1waj h LEU 562 Ca 0.02 0.16 0.30 0.00 -0.00 0.00 0.00 57.88 58.36 1waj h LEU 562 Cb 0.60 0.53 -0.15 0.00 -0.00 0.00 0.00 40.66 41.64 1waj h LEU 562 CO 0.02 -0.40 0.45 0.40 -0.00 0.00 0.00 178.44 178.92 1waj h ILE 563 N -0.49 0.27 -0.04 1.22 2.04 -1.38 -1.06 117.51 118.07 1waj h ILE 563 Ca 0.02 -0.09 -0.17 0.00 1.00 0.00 0.00 64.86 65.62 1waj h ILE 563 Cb 0.55 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1waj h ILE 563 CO -0.33 0.05 -0.72 0.78 0.00 0.00 0.00 178.15 177.92 1waj h ASN 564 N 0.26 0.29 1.67 1.72 2.35 -0.99 -3.18 115.58 117.71 1waj h ASN 564 Ca 0.69 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 56.19 1waj h ASN 564 Cb 1.54 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.81 1waj h ASN 564 CO -0.64 0.92 -0.33 0.77 -1.65 0.00 0.00 177.43 176.49 1waj h SER 565 N 0.16 0.00 -0.43 5.81 4.64 -0.31 -3.39 113.55 120.03 1waj h SER 565 Ca -0.02 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.39 1waj h SER 565 Cb 1.28 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.28 1waj h SER 565 CO 0.11 0.24 -0.23 0.25 -0.87 0.00 0.00 176.83 176.33 1waj h LEU 566 N 0.00 -0.78 -0.77 5.97 5.85 -1.30 0.53 115.31 124.81 1waj h LEU 566 Ca -0.01 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1waj h LEU 566 Cb 1.19 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 42.56 1waj h LEU 566 CO 0.03 -0.25 0.43 0.22 -0.34 0.00 0.00 178.44 178.53 1waj h TYR 567 N -0.15 0.79 -0.21 1.25 3.20 -1.77 -1.50 116.97 118.58 1waj h TYR 567 Ca 0.20 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.16 1waj h TYR 567 Cb 0.47 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1waj h TYR 567 CO -0.48 0.35 0.24 0.78 -1.64 0.00 0.00 178.16 177.42 1waj h GLY 568 N 0.76 0.00 1.31 1.82 0.00 -1.13 0.99 103.07 106.83 1waj h GLY 568 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.43 1waj h GLY 568 CO -0.22 0.00 -1.44 0.00 0.00 0.00 0.00 176.54 174.88 1waj h ALA 569 N 1.71 0.64 -0.17 3.60 0.00 -0.96 -3.21 119.26 120.87 1waj h ALA 569 Ca 0.10 -1.23 -0.18 0.00 0.00 0.00 0.00 54.91 53.60 1waj h ALA 569 Cb 0.58 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1waj h ALA 569 CO -0.00 1.41 -0.64 -0.07 0.00 0.00 0.00 179.25 179.95 1waj h LEU 570 N 0.00 0.72 0.00 0.00 3.38 -0.75 -1.90 115.31 116.76 1waj h LEU 570 Ca -0.19 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1waj h LEU 570 Cb 1.89 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1waj h LEU 570 CO 0.09 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.41 1waj n GLY 571 N 0.44 -0.78 3.43 0.83 0.00 0.19 -4.56 105.19 104.75 1waj n GLY 571 Ca -0.05 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1waj n GLY 571 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1waj s ASN 572 N -1.72 4.68 0.48 1.61 3.84 -0.72 -5.02 114.94 118.10 1waj s ASN 572 Ca 0.24 -0.22 0.26 0.00 0.21 0.00 0.00 52.86 53.35 1waj s ASN 572 Cb 0.11 -1.79 1.31 0.00 -0.55 0.00 0.00 41.25 40.34 1waj s ASN 572 CO 0.19 0.08 1.86 0.58 -2.79 0.00 0.00 177.10 177.02 1waj h VAL 573 N 5.38 0.58 -0.00 -5.21 2.07 -1.84 0.64 116.25 117.86 1waj h VAL 573 Ca -0.35 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1waj h VAL 573 Cb 1.18 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1waj h VAL 573 CO 0.61 0.03 -0.03 0.79 0.02 0.00 0.00 177.57 178.99 1waj n TRP 574 N -4.39 0.00 -2.05 1.57 7.02 -1.26 -4.47 117.44 113.86 1waj n TRP 574 Ca 0.20 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.26 1waj n TRP 574 Cb 0.89 -0.40 -0.03 0.00 -2.42 0.00 0.00 31.31 29.35 1waj n TRP 574 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1waj s PHE 575 N -2.84 2.61 0.46 -5.99 5.36 0.21 -4.83 117.98 112.97 1waj s PHE 575 Ca 0.19 0.53 0.21 0.00 -0.96 0.00 0.00 56.93 56.91 1waj s PHE 575 Cb 0.19 -3.84 1.20 0.00 -0.34 0.00 0.00 43.02 40.24 1waj s PHE 575 CO 0.51 -3.27 1.89 -0.09 -1.46 0.00 0.00 175.22 172.81 1waj h ARG 576 N 8.09 0.26 -0.61 10.12 2.43 -1.87 0.18 114.38 132.99 1waj h ARG 576 Ca -0.41 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1waj h ARG 576 Cb 1.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1waj h ARG 576 CO 0.92 0.17 0.00 0.66 -1.51 0.00 0.00 179.97 180.21 1waj n TYR 577 N -4.44 1.93 -1.62 2.20 4.02 -1.26 -4.71 117.16 113.28 1waj n TYR 577 Ca 0.17 -0.68 -0.33 0.00 -0.01 0.00 0.00 57.90 57.05 1waj n TYR 577 Cb 0.72 -0.46 0.06 0.00 -0.02 0.00 0.00 39.34 39.64 1waj n TYR 577 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1waj s TYR 578 N -2.57 2.50 -0.30 -0.72 6.14 0.05 -4.81 117.35 117.64 1waj s TYR 578 Ca 0.52 1.57 -0.15 0.00 0.64 0.00 0.00 57.07 59.65 1waj s TYR 578 Cb 0.39 -3.21 0.18 0.00 0.42 0.00 0.00 41.96 39.74 1waj s TYR 578 CO 0.17 -1.87 1.08 0.34 0.64 0.00 0.00 175.55 175.90 1waj s ASP 579 N -2.58 -0.42 0.36 4.32 -1.08 -1.26 -5.05 116.67 110.95 1waj s ASP 579 Ca 0.67 0.41 0.09 0.00 -0.52 0.00 0.00 52.55 53.20 1waj s ASP 579 Cb -0.22 1.41 0.83 0.00 -1.46 0.00 0.00 42.92 43.48 1waj s ASP 579 CO 0.44 -0.08 1.88 0.25 0.52 0.00 0.00 175.17 178.18 1waj h LEU 580 N 7.66 0.64 0.40 -1.34 5.85 -1.96 -1.05 115.31 125.51 1waj h LEU 580 Ca -0.14 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1waj h LEU 580 Cb 1.15 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1waj h LEU 580 CO -0.01 0.33 -0.19 0.03 -0.34 0.00 0.00 178.44 178.26 1waj h ARG 581 N 0.68 -0.52 -0.64 1.25 3.08 -1.98 0.34 114.38 116.60 1waj h ARG 581 Ca 0.43 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.65 1waj h ARG 581 Cb 0.70 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.77 1waj h ARG 581 CO -0.19 -0.29 0.14 -0.91 -1.07 0.00 0.00 179.97 177.64 1waj h ASN 582 N -0.63 -0.00 0.37 7.04 2.35 -1.78 0.62 115.58 123.54 1waj h ASN 582 Ca -0.06 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1waj h ASN 582 Cb 0.47 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1waj h ASN 582 CO 0.09 -0.01 -0.30 0.00 -1.65 0.00 0.00 177.43 175.57 1waj h ALA 583 N 1.52 -1.04 -0.06 -0.83 0.00 -0.87 -1.63 119.26 116.35 1waj h ALA 583 Ca 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1waj h ALA 583 Cb 0.54 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1waj h ALA 583 CO -0.44 -1.04 0.14 1.15 0.00 0.00 0.00 179.25 179.05 1waj h THR 584 N -0.65 0.20 0.65 0.00 2.02 0.38 -1.25 112.91 114.27 1waj h THR 584 Ca -0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1waj h THR 584 Cb 0.54 0.88 0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1waj h THR 584 CO 0.00 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.58 1waj h ALA 585 N 1.78 -0.88 -0.15 6.16 0.00 0.95 -2.20 119.26 124.93 1waj h ALA 585 Ca 0.03 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1waj h ALA 585 Cb 0.30 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1waj h ALA 585 CO -0.00 -0.83 -0.30 0.82 0.00 0.00 0.00 179.25 178.94 1waj h ILE 586 N -1.20 0.00 -0.74 0.00 2.04 -0.32 -0.70 117.51 116.59 1waj h ILE 586 Ca -0.09 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.90 1waj h ILE 586 Cb 0.69 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 1waj h ILE 586 CO 0.15 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.61 1waj h THR 587 N -0.27 0.71 -0.23 -0.27 1.03 -1.59 -0.95 112.91 111.34 1waj h THR 587 Ca 0.03 -0.16 -0.12 0.00 -0.01 0.00 0.00 66.41 66.14 1waj h THR 587 Cb 0.35 0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 67.61 1waj h THR 587 CO -0.28 0.09 -0.37 0.71 -0.01 0.00 0.00 175.52 175.66 1waj h THR 588 N 0.48 1.29 0.08 0.00 1.35 -0.91 0.32 112.91 115.52 1waj h THR 588 Ca 0.39 -1.50 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1waj h THR 588 Cb 0.55 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1waj h THR 588 CO -0.36 0.47 -0.04 0.15 -0.25 0.00 0.00 175.52 175.48 1waj h PHE 589 N 0.43 -0.10 0.26 4.73 3.04 -0.24 -0.93 116.94 124.13 1waj h PHE 589 Ca 0.04 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.00 1waj h PHE 589 Cb 0.84 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.34 1waj h PHE 589 CO 0.03 -0.01 -0.47 0.78 -2.02 0.00 0.00 178.31 176.62 1waj h GLY 590 N -0.17 -1.06 -0.90 2.40 0.00 -0.97 0.68 103.07 103.06 1waj h GLY 590 Ca -0.01 0.56 0.31 0.00 0.00 0.00 0.00 47.33 48.19 1waj h GLY 590 CO 0.02 -0.31 0.24 -1.06 0.00 0.00 0.00 176.54 175.44 1waj n GLN 591 N -5.50 -0.06 -0.03 4.80 1.13 0.08 -1.61 117.38 116.18 1waj n GLN 591 Ca -0.09 1.30 -0.08 0.00 -1.94 0.00 0.00 57.00 56.19 1waj n GLN 591 Cb 0.42 -2.19 -0.07 0.00 0.11 0.00 0.00 30.24 28.51 1waj n GLN 591 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 1waj h MET 592 N 0.00 -0.06 -1.04 -1.09 4.05 0.05 -3.32 114.93 113.51 1waj h MET 592 Ca 0.65 0.00 0.43 0.00 -0.28 0.00 0.00 59.70 60.50 1waj h MET 592 Cb 1.56 0.01 -0.17 0.00 -0.80 0.00 0.00 31.60 32.20 1waj h MET 592 CO -0.77 0.41 0.58 0.00 0.23 0.00 0.00 176.91 177.36 1waj n ALA 593 N -2.66 1.07 -0.07 0.39 0.00 0.11 -0.20 120.51 119.14 1waj n ALA 593 Ca -0.06 1.00 0.00 0.00 0.00 0.00 0.00 53.44 54.38 1waj n ALA 593 Cb 0.25 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1waj n ALA 593 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1waj n LEU 594 N -5.18 0.05 0.31 0.00 -0.00 -1.09 -1.47 117.00 109.62 1waj n LEU 594 Ca 0.38 0.84 0.19 0.00 -0.00 0.00 0.00 56.01 57.42 1waj n LEU 594 Cb 1.32 -0.46 1.03 0.00 -0.00 0.00 0.00 43.42 45.31 1waj n LEU 594 CO 0.03 -0.46 1.16 0.06 -0.00 0.00 0.00 177.39 178.18 1waj h GLN 595 N 0.00 0.00 0.26 1.96 3.07 -1.37 0.39 115.11 119.42 1waj h GLN 595 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1waj h GLN 595 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1waj h GLN 595 CO 0.00 0.00 -0.12 2.35 0.09 0.00 0.00 178.83 181.15 1waj h TRP 596 N 0.00 -0.32 0.00 0.06 2.91 -0.60 -0.64 115.95 117.36 1waj h TRP 596 Ca 0.02 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.98 1waj h TRP 596 Cb 0.19 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 1waj h TRP 596 CO 0.00 0.05 -0.24 0.97 -1.03 0.00 0.00 178.44 178.19 1waj h ILE 597 N -0.82 1.12 -0.20 2.65 6.09 0.07 -0.48 117.51 125.94 1waj h ILE 597 Ca -0.04 -0.83 0.03 0.00 -1.37 0.00 0.00 64.86 62.66 1waj h ILE 597 Cb 0.51 1.45 -0.03 0.00 0.47 0.00 0.00 36.82 39.23 1waj h ILE 597 CO 0.06 0.23 0.01 -0.08 -3.07 0.00 0.00 178.15 175.30 1waj h GLU 598 N 0.00 0.08 0.18 2.19 4.81 -0.03 0.16 114.58 121.96 1waj h GLU 598 Ca -0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1waj h GLU 598 Cb 0.44 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1waj h GLU 598 CO 0.03 0.05 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.16 1waj h ARG 599 N 0.08 -0.27 -0.67 1.92 2.43 -0.14 -2.04 114.38 115.69 1waj h ARG 599 Ca 0.09 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.43 1waj h ARG 599 Cb 0.11 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.61 1waj h ARG 599 CO -0.15 -0.18 0.03 0.87 -1.51 0.00 0.00 179.97 179.02 1waj h LYS 600 N -0.28 0.13 0.81 0.20 1.79 -0.61 0.12 116.57 118.74 1waj h LYS 600 Ca -0.02 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 1waj h LYS 600 Cb 0.24 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1waj h LYS 600 CO 0.02 0.09 -0.39 0.28 -1.08 0.00 0.00 179.45 178.36 1waj h VAL 601 N 0.13 0.10 -0.52 0.50 2.07 -0.39 0.65 116.25 118.80 1waj h VAL 601 Ca 0.36 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1waj h VAL 601 Cb 0.60 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 1waj h VAL 601 CO -0.56 0.01 -0.08 0.78 0.02 0.00 0.00 177.57 177.74 1waj h ASN 602 N -1.22 -0.38 -0.32 0.57 2.35 -1.10 0.91 115.58 116.39 1waj h ASN 602 Ca -0.11 0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1waj h ASN 602 Cb 0.85 0.28 -0.06 0.00 0.05 0.00 0.00 38.32 39.44 1waj h ASN 602 CO 0.18 -0.14 -0.39 -0.08 -1.65 0.00 0.00 177.43 175.35 1waj h GLU 603 N 0.04 -0.25 0.37 0.81 4.81 -0.52 -0.66 114.58 119.19 1waj h GLU 603 Ca 0.25 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1waj h GLU 603 Cb 0.39 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1waj h GLU 603 CO -0.49 -0.17 -0.42 -0.92 -0.73 0.00 0.00 179.01 176.29 1waj h TYR 604 N -0.26 -1.16 -0.00 0.92 5.03 0.04 -3.13 116.97 118.41 1waj h TYR 604 Ca 0.06 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.40 1waj h TYR 604 Cb 0.41 0.46 -0.06 0.00 1.55 0.00 0.00 36.73 39.09 1waj h TYR 604 CO -0.71 -0.54 -0.53 -0.07 -1.32 0.00 0.00 178.16 174.98 1waj h LEU 605 N -0.80 -1.64 -0.02 2.82 3.38 -0.46 -1.37 115.31 117.23 1waj h LEU 605 Ca -0.05 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1waj h LEU 605 Cb 0.70 0.62 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1waj h LEU 605 CO -0.07 -0.52 0.00 -0.46 0.09 0.00 0.00 178.44 177.48 1waj n ASN 606 N -5.46 0.01 0.06 -0.43 6.94 -0.29 -0.58 115.26 115.51 1waj n ASN 606 Ca -0.07 0.50 -0.23 0.00 -0.02 0.00 0.00 54.58 54.76 1waj n ASN 606 Cb 0.40 -0.51 -0.15 0.00 -2.36 0.00 0.00 39.78 37.16 1waj n ASN 606 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1waj h GLU 607 N 0.00 0.37 0.00 -3.83 4.81 -1.21 0.31 114.58 115.03 1waj h GLU 607 Ca 0.00 -0.63 -0.04 0.00 -0.13 0.00 0.00 59.36 58.55 1waj h GLU 607 Cb 0.05 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1waj h GLU 607 CO 0.00 1.30 -0.21 0.28 -0.73 0.00 0.00 179.01 179.65 1waj h VAL 608 N 0.01 0.77 -0.02 0.32 2.07 -0.12 -2.37 116.25 116.92 1waj h VAL 608 Ca -0.33 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1waj h VAL 608 Cb 2.02 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1waj h VAL 608 CO 0.16 0.21 -0.33 0.00 0.02 0.00 0.00 177.57 177.62 1waj n GLY 610 N 1.38 -0.21 3.56 0.00 0.00 -0.89 -5.03 105.19 104.01 1waj n GLY 610 Ca 0.11 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1waj n GLY 610 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1waj s THR 611 N -3.28 1.33 -0.06 2.61 -4.23 0.11 -5.04 115.64 107.08 1waj s THR 611 Ca 0.13 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1waj s THR 611 Cb -0.06 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1waj s THR 611 CO 0.58 0.00 -0.14 -1.61 -0.54 0.00 0.00 174.62 172.91 1waj s GLU 612 N -3.81 1.78 0.00 3.99 0.41 -1.26 -4.38 118.70 115.43 1waj s GLU 612 Ca 0.29 -0.49 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 1waj s GLU 612 Cb 0.07 -1.47 0.00 0.00 -1.78 0.00 0.00 34.13 30.95 1waj s GLU 612 CO 0.14 0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.41 1waj n GLY 613 N 3.60 0.00 3.71 -1.39 0.00 -1.26 -4.89 105.19 104.95 1waj n GLY 613 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1waj n GLY 613 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1waj s GLU 614 N -1.21 4.28 -0.35 1.61 2.56 -1.26 -4.95 118.70 119.38 1waj s GLU 614 Ca 0.00 2.15 -0.14 0.00 0.00 0.00 0.00 54.97 56.98 1waj s GLU 614 Cb 0.00 -3.29 -0.01 0.00 2.00 0.00 0.00 34.13 32.83 1waj s GLU 614 CO 0.00 -0.51 0.29 0.00 -0.56 0.00 0.00 175.26 174.48 1waj s ALA 615 N 1.39 3.50 -0.06 6.30 0.00 -1.26 -4.69 121.76 126.94 1waj s ALA 615 Ca 0.66 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1waj s ALA 615 Cb -0.38 -2.76 -0.30 0.00 0.00 0.00 0.00 23.12 19.68 1waj s ALA 615 CO 0.30 -1.09 0.68 0.74 0.00 0.00 0.00 175.76 176.40 1waj h PHE 616 N 8.51 0.67 -1.87 0.00 0.04 -1.91 -3.43 116.94 118.95 1waj h PHE 616 Ca -0.30 -0.49 -0.53 0.00 2.80 0.00 0.00 57.97 59.45 1waj h PHE 616 Cb 1.15 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 1waj h PHE 616 CO 0.66 1.62 1.53 0.08 -0.60 0.00 0.00 178.31 181.60 1waj s VAL 617 N -2.55 3.06 -0.03 -0.55 1.01 -1.26 -1.91 120.40 118.17 1waj s VAL 617 Ca -0.16 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 1waj s VAL 617 Cb 0.05 -3.11 -0.25 0.00 0.00 0.00 0.00 36.38 33.07 1waj s VAL 617 CO 0.84 -0.09 1.03 0.25 0.00 0.00 0.00 175.10 177.13 1waj h LEU 618 N 17.13 0.38 -7.12 3.92 7.12 -1.22 -3.49 115.31 132.04 1waj h LEU 618 Ca -0.32 -0.80 0.00 0.00 0.13 0.00 0.00 57.88 56.89 1waj h LEU 618 Cb 1.24 -0.12 -0.11 0.00 -0.53 0.00 0.00 40.66 41.14 1waj h LEU 618 CO 1.07 1.14 0.23 -0.47 -0.13 0.00 0.00 178.44 180.28 1waj s TYR 619 N -3.03 -0.49 0.06 1.25 6.14 -1.07 -4.66 117.35 115.56 1waj s TYR 619 Ca -0.15 0.25 -0.15 0.00 0.64 0.00 0.00 57.07 57.66 1waj s TYR 619 Cb 0.02 0.58 0.03 0.00 0.42 0.00 0.00 41.96 43.00 1waj s TYR 619 CO 0.79 -0.87 0.35 0.20 0.64 0.00 0.00 175.55 176.65 1waj s GLY 620 N -2.75 -0.18 -0.30 8.97 0.00 -1.26 -0.35 107.32 111.44 1waj s GLY 620 Ca 0.02 0.04 -0.09 0.00 0.00 0.00 0.00 44.72 44.70 1waj s GLY 620 CO -0.10 -0.19 0.70 -0.35 0.00 0.00 0.00 173.10 173.15 1waj s ASP 621 N -2.25 -1.10 0.00 1.64 -1.08 -0.43 -2.38 116.67 111.07 1waj s ASP 621 Ca -0.03 1.27 0.00 0.00 -0.52 0.00 0.00 52.55 53.27 1waj s ASP 621 Cb 0.00 2.16 0.00 0.00 -1.46 0.00 0.00 42.92 43.62 1waj s ASP 621 CO -0.05 -0.21 0.00 0.41 0.52 0.00 0.00 175.17 175.84 1waj n THR 622 N 5.38 0.00 -0.10 1.71 -1.04 -0.72 -1.22 114.28 118.28 1waj n THR 622 Ca -0.09 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.94 1waj n THR 622 Cb 0.50 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.07 1waj n THR 622 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1waj n ASP 623 N 1.63 2.35 -4.20 8.00 5.68 -1.26 -4.78 116.55 123.97 1waj n ASP 623 Ca 0.00 -2.05 -0.17 0.00 -0.50 0.00 0.00 54.79 52.07 1waj n ASP 623 Cb 0.00 -0.10 -0.11 0.00 -1.14 0.00 0.00 41.12 39.77 1waj n ASP 623 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1waj s SER 624 N -1.07 1.73 0.03 -1.12 1.04 -0.36 -0.75 113.70 113.21 1waj s SER 624 Ca 0.09 -0.74 0.06 0.00 0.48 0.00 0.00 55.95 55.84 1waj s SER 624 Cb 0.05 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 1waj s SER 624 CO 0.05 -0.15 -0.16 0.27 0.98 0.00 0.00 173.24 174.23 1waj s ILE 625 N -1.89 1.29 -0.27 -1.02 -4.36 -0.76 -1.31 121.20 112.88 1waj s ILE 625 Ca 0.04 -0.98 0.03 0.00 -0.26 0.00 0.00 60.65 59.48 1waj s ILE 625 Cb -0.06 -1.13 0.06 0.00 1.25 0.00 0.00 42.46 42.58 1waj s ILE 625 CO 0.02 0.14 -0.09 -0.31 0.24 0.00 0.00 174.94 174.94 1waj s TYR 626 N -0.72 3.23 0.22 1.37 1.51 0.52 -1.40 117.35 122.08 1waj s TYR 626 Ca 0.04 -2.34 -0.11 0.00 -1.01 0.00 0.00 57.07 53.66 1waj s TYR 626 Cb -0.08 -1.99 -0.07 0.00 -0.11 0.00 0.00 41.96 39.71 1waj s TYR 626 CO 0.01 -0.88 0.56 0.08 -1.11 0.00 0.00 175.55 174.21 1waj s VAL 627 N 1.11 4.91 -0.19 0.71 1.01 -0.29 -0.75 120.40 126.91 1waj s VAL 627 Ca -0.07 0.55 -0.15 0.00 0.00 0.00 0.00 61.98 62.32 1waj s VAL 627 Cb -0.20 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1waj s VAL 627 CO -0.05 -0.02 0.35 -0.55 0.00 0.00 0.00 175.10 174.83 1waj s SER 628 N -2.24 6.41 0.02 3.32 0.15 -0.81 -2.12 113.70 118.43 1waj s SER 628 Ca 0.46 0.47 0.22 0.00 0.70 0.00 0.00 55.95 57.80 1waj s SER 628 Cb -0.12 -2.21 -0.15 0.00 -1.71 0.00 0.00 66.02 61.84 1waj s SER 628 CO 0.21 -0.02 0.82 0.00 1.20 0.00 0.00 173.24 175.45 1waj n ALA 629 N 4.22 3.56 -0.25 5.45 0.00 -0.19 -4.58 120.51 128.71 1waj n ALA 629 Ca -0.10 -0.49 -0.00 0.00 0.00 0.00 0.00 53.44 52.85 1waj n ALA 629 Cb 0.51 -0.85 0.03 0.00 0.00 0.00 0.00 19.45 19.14 1waj n ALA 629 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1waj n ASP 630 N -1.95 -0.41 0.31 0.00 9.92 -1.23 -1.22 116.55 121.96 1waj n ASP 630 Ca 0.01 1.13 -0.17 0.00 -0.53 0.00 0.00 54.79 55.23 1waj n ASP 630 Cb 0.45 -0.26 -0.09 0.00 -0.64 0.00 0.00 41.12 40.58 1waj n ASP 630 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1waj h LYS 631 N 0.00 -0.71 -0.68 -1.24 6.56 -1.95 -2.64 116.57 115.91 1waj h LYS 631 Ca 0.23 0.05 0.13 0.00 -1.06 0.00 0.00 60.65 60.00 1waj h LYS 631 Cb 0.39 0.16 -0.13 0.00 -0.57 0.00 0.00 32.23 32.09 1waj h LYS 631 CO -0.64 -0.47 -0.19 0.82 -2.06 0.00 0.00 179.45 176.90 1waj h ILE 632 N -0.76 0.29 0.75 1.86 2.04 -1.47 -1.79 117.51 118.44 1waj h ILE 632 Ca -0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1waj h ILE 632 Cb 0.58 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1waj h ILE 632 CO 0.12 0.00 -0.50 0.40 0.00 0.00 0.00 178.15 178.17 1waj h ILE 633 N -0.02 0.00 -0.93 -0.67 1.08 -1.36 -2.81 117.51 112.80 1waj h ILE 633 Ca 0.32 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 65.01 1waj h ILE 633 Cb 0.51 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.20 1waj h ILE 633 CO -0.71 0.00 0.62 0.44 -0.69 0.00 0.00 178.15 177.81 1waj h ASP 634 N -1.19 0.33 -0.50 1.72 3.32 -1.09 0.17 116.42 119.18 1waj h ASP 634 Ca -0.10 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.04 1waj h ASP 634 Cb 0.97 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 1waj h ASP 634 CO 0.08 0.12 0.23 0.50 -1.72 0.00 0.00 179.24 178.44 1waj h LYS 635 N 0.32 0.43 -0.64 3.56 1.63 -1.08 -1.06 116.57 119.73 1waj h LYS 635 Ca 0.48 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1waj h LYS 635 Cb 1.34 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1waj h LYS 635 CO -0.16 0.29 0.00 0.28 -3.45 0.00 0.00 179.45 176.41 1waj n VAL 636 N -4.93 2.37 -1.82 2.00 0.31 0.50 -5.04 118.33 111.73 1waj n VAL 636 Ca 0.04 -1.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.17 1waj n VAL 636 Cb 0.15 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1waj n VAL 636 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1waj n GLY 637 N 0.55 -3.98 0.32 2.92 0.00 -0.40 -4.42 105.19 100.17 1waj n GLY 637 Ca 0.24 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1waj n GLY 637 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1waj h GLU 638 N 2.78 0.93 0.00 1.61 4.81 -1.82 -2.73 114.58 120.17 1waj h GLU 638 Ca 0.00 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1waj h GLU 638 Cb 0.00 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1waj h GLU 638 CO 0.00 0.74 -0.09 0.66 -0.73 0.00 0.00 179.01 179.60 1waj h SER 639 N 0.93 0.00 0.00 1.04 4.64 -1.96 -2.94 113.55 115.26 1waj h SER 639 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1waj h SER 639 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1waj h SER 639 CO -0.03 0.09 0.00 1.17 -0.87 0.00 0.00 176.83 177.19 1waj n LYS 640 N -3.53 0.31 -4.16 4.77 3.00 -1.03 -4.59 118.16 112.93 1waj n LYS 640 Ca -0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.99 1waj n LYS 640 Cb 0.21 -1.45 -0.08 0.00 0.00 0.00 0.00 35.03 33.71 1waj n LYS 640 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1waj s PHE 641 N -2.00 2.93 -0.11 5.64 0.40 -1.11 -5.01 117.98 118.71 1waj s PHE 641 Ca 0.13 -0.06 0.18 0.00 -0.60 0.00 0.00 56.93 56.58 1waj s PHE 641 Cb 0.06 -1.51 0.42 0.00 0.51 0.00 0.00 43.02 42.50 1waj s PHE 641 CO 0.10 0.46 1.19 0.54 0.70 0.00 0.00 175.22 178.22 1waj n ARG 642 N 0.63 0.84 0.00 0.44 1.74 -1.26 -5.02 116.66 114.03 1waj n ARG 642 Ca -0.12 -2.68 0.00 0.00 -0.77 0.00 0.00 57.85 54.28 1waj n ARG 642 Cb 0.52 -0.86 0.00 0.00 -1.02 0.00 0.00 32.46 31.10 1waj n ARG 642 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1waj n ASP 643 N -0.36 0.00 -0.24 0.55 2.03 -1.26 -4.98 116.55 112.28 1waj n ASP 643 Ca 0.13 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.42 1waj n ASP 643 Cb 0.90 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.35 1waj n ASP 643 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1waj h THR 644 N 0.00 0.20 -0.25 5.18 1.03 -1.88 0.69 112.91 117.88 1waj h THR 644 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1waj h THR 644 Cb 0.00 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 67.27 1waj h THR 644 CO 0.00 0.00 0.14 -1.13 -0.01 0.00 0.00 175.52 174.52 1waj h ASN 645 N -0.07 0.31 -1.13 0.00 -0.73 -1.96 -3.02 115.58 108.98 1waj h ASN 645 Ca 0.30 -0.07 0.39 0.00 1.87 0.00 0.00 56.30 58.80 1waj h ASN 645 Cb 0.55 -0.08 -0.15 0.00 0.27 0.00 0.00 38.32 38.92 1waj h ASN 645 CO -0.75 0.29 0.68 -0.74 -0.37 0.00 0.00 177.43 176.54 1waj h HIS 646 N 0.30 0.73 -0.07 0.67 2.76 -1.24 0.37 115.15 118.67 1waj h HIS 646 Ca 0.09 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1waj h HIS 646 Cb 0.04 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 1waj h HIS 646 CO -0.04 -0.26 -0.11 0.11 -1.30 0.00 0.00 177.93 176.33 1waj h TRP 647 N 0.14 0.25 -0.95 5.26 0.09 -1.36 -3.24 115.95 116.15 1waj h TRP 647 Ca 0.80 -0.09 0.29 0.00 0.09 0.00 0.00 58.89 59.98 1waj h TRP 647 Cb 2.19 -0.05 -0.15 0.00 0.08 0.00 0.00 29.16 31.23 1waj h TRP 647 CO -0.01 0.70 0.40 0.28 0.09 0.00 0.00 178.44 179.90 1waj h VAL 648 N -0.26 0.28 -0.62 0.12 2.07 -0.30 1.34 116.25 118.87 1waj h VAL 648 Ca 0.01 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1waj h VAL 648 Cb 0.67 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1waj h VAL 648 CO 0.03 0.05 0.03 0.44 0.02 0.00 0.00 177.57 178.13 1waj h ASP 649 N 0.25 1.05 0.23 0.57 3.32 -1.55 -0.29 116.42 120.00 1waj h ASP 649 Ca 0.66 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 1waj h ASP 649 Cb 1.44 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1waj h ASP 649 CO -0.65 1.08 -0.19 0.15 -1.72 0.00 0.00 179.24 177.92 1waj h PHE 650 N 0.99 -0.49 -0.45 4.55 3.57 0.17 0.12 116.94 125.41 1waj h PHE 650 Ca 0.18 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1waj h PHE 650 Cb 0.53 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1waj h PHE 650 CO 0.04 -0.28 0.28 -0.07 -2.23 0.00 0.00 178.31 176.04 1waj h LEU 651 N -0.43 0.46 -0.46 0.59 3.38 -1.10 -0.48 115.31 117.26 1waj h LEU 651 Ca -0.01 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1waj h LEU 651 Cb 0.38 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1waj h LEU 651 CO -0.02 0.33 -0.02 -0.78 0.09 0.00 0.00 178.44 178.05 1waj h ASP 652 N 0.56 -0.23 -0.13 -0.43 3.58 -0.72 0.11 116.42 119.17 1waj h ASP 652 Ca 0.18 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1waj h ASP 652 Cb -0.01 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1waj h ASP 652 CO -0.07 -0.08 0.03 0.50 -2.88 0.00 0.00 179.24 176.75 1waj h LYS 653 N 0.10 0.20 -0.68 0.28 1.63 -0.43 -2.08 116.57 115.58 1waj h LYS 653 Ca 0.23 -0.05 0.13 0.00 -0.85 0.00 0.00 60.65 60.11 1waj h LYS 653 Cb 0.34 -0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 31.85 1waj h LYS 653 CO -0.40 0.37 0.19 0.35 -3.45 0.00 0.00 179.45 176.51 1waj h PHE 654 N 0.01 0.31 0.00 1.91 3.04 -0.40 0.33 116.94 122.14 1waj h PHE 654 Ca 0.04 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1waj h PHE 654 Cb 0.25 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1waj h PHE 654 CO 0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 178.31 176.28 1waj n ALA 655 N -2.59 -0.36 -0.09 2.41 0.00 0.34 -0.19 120.51 120.03 1waj n ALA 655 Ca 0.12 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.74 1waj n ALA 655 Cb 0.38 0.07 0.61 0.00 0.00 0.00 0.00 19.45 20.51 1waj n ALA 655 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1waj h ARG 656 N 0.00 0.19 0.00 0.00 2.43 -1.11 -0.08 114.38 115.80 1waj h ARG 656 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1waj h ARG 656 Cb 0.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1waj h ARG 656 CO 0.00 0.12 -0.94 0.93 -1.51 0.00 0.00 179.97 178.57 1waj h GLU 657 N 0.19 0.00 0.00 0.20 5.08 -0.30 -3.40 114.58 116.35 1waj h GLU 657 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1waj h GLU 657 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1waj h GLU 657 CO -0.06 0.67 -0.26 0.00 -1.00 0.00 0.00 179.01 178.36 1waj h ARG 658 N -1.00 0.00 0.00 2.33 -0.00 -0.61 -3.41 114.38 111.69 1waj h ARG 658 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.26 1waj h ARG 658 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.99 1waj h ARG 658 CO -0.13 0.00 0.00 -0.12 0.00 0.00 0.00 179.97 179.72 1waj n MET 659 N -4.42 0.00 -0.33 0.04 1.56 -0.94 -2.81 117.12 110.21 1waj n MET 659 Ca -0.04 0.40 0.03 0.00 -0.27 0.00 0.00 57.70 57.83 1waj n MET 659 Cb 0.14 -1.26 0.11 0.00 2.15 0.00 0.00 33.22 34.35 1waj n MET 659 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1waj h GLU 660 N 0.00 -0.01 -0.27 2.12 5.08 -1.25 0.55 114.58 120.81 1waj h GLU 660 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1waj h GLU 660 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1waj h GLU 660 CO 0.00 -0.01 -0.05 -1.35 -1.00 0.00 0.00 179.01 176.61 1waj h PRO 661 N -0.01 0.42 -0.00 2.33 0.11 -1.77 -1.37 132.00 131.71 1waj h PRO 661 Ca 0.42 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.44 1waj h PRO 661 Cb 0.66 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1waj h PRO 661 CO -0.95 0.49 0.00 0.00 -0.21 0.00 0.00 178.00 177.33 1waj h ALA 662 N 1.55 0.00 -0.04 -0.75 0.00 0.12 -0.14 119.26 120.01 1waj h ALA 662 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1waj h ALA 662 Cb 0.35 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1waj h ALA 662 CO 0.01 -0.39 -0.50 0.82 0.00 0.00 0.00 179.25 179.20 1waj h ILE 663 N -0.20 0.05 -0.65 0.00 2.04 -0.24 0.33 117.51 118.85 1waj h ILE 663 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1waj h ILE 663 Cb 0.21 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1waj h ILE 663 CO -0.00 0.00 0.40 -0.78 0.00 0.00 0.00 178.15 177.77 1waj h ASP 664 N -0.62 0.65 -0.18 1.72 3.58 -1.23 -0.21 116.42 120.14 1waj h ASP 664 Ca 0.03 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 1waj h ASP 664 Cb 0.69 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1waj h ASP 664 CO -0.37 0.45 -0.02 -0.09 -2.88 0.00 0.00 179.24 176.33 1waj h ARG 665 N 0.78 0.46 0.00 0.28 2.43 -0.05 -0.93 114.38 117.35 1waj h ARG 665 Ca 0.26 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1waj h ARG 665 Cb 0.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1waj h ARG 665 CO -0.11 0.51 -0.19 0.41 -1.51 0.00 0.00 179.97 179.08 1waj n GLY 666 N -0.91 -1.59 0.09 2.80 0.00 0.11 -3.01 105.19 102.67 1waj n GLY 666 Ca 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1waj n GLY 666 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1waj h PHE 667 N 0.00 0.00 -0.80 1.61 -1.00 -0.16 -3.31 116.94 113.27 1waj h PHE 667 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1waj h PHE 667 Cb 0.71 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.23 1waj h PHE 667 CO 0.00 0.83 0.46 0.00 -1.61 0.00 0.00 178.31 177.99 1waj h ARG 668 N 0.00 1.11 -0.33 1.51 3.08 -1.11 -2.60 114.38 116.05 1waj h ARG 668 Ca -0.12 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 59.85 1waj h ARG 668 Cb 1.74 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 31.50 1waj h ARG 668 CO 0.09 0.81 -0.53 0.93 -1.07 0.00 0.00 179.97 180.20 1waj h GLU 669 N 1.11 -0.40 -0.65 0.04 5.08 -1.65 0.21 114.58 118.32 1waj h GLU 669 Ca 0.29 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.81 1waj h GLU 669 Cb 0.01 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 1waj h GLU 669 CO -0.05 -0.27 -0.07 1.98 -1.00 0.00 0.00 179.01 179.60 1waj h MET 670 N -0.42 0.06 -0.75 2.33 4.05 -1.63 0.22 114.93 118.78 1waj h MET 670 Ca 0.06 -0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.62 1waj h MET 670 Cb 0.58 -0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.28 1waj h MET 670 CO -0.53 0.04 0.29 0.00 0.23 0.00 0.00 176.91 176.94 1waj h GLU 672 N 0.44 0.52 -0.44 0.00 5.08 -0.29 0.12 114.58 120.01 1waj h GLU 672 Ca 0.41 -0.36 0.09 0.00 -1.00 0.00 0.00 59.36 58.50 1waj h GLU 672 Cb 0.62 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 1waj h GLU 672 CO -0.40 0.97 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.53 1waj h TYR 673 N 0.15 -0.29 -0.00 4.33 3.20 0.81 1.03 116.97 126.19 1waj h TYR 673 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1waj h TYR 673 Cb 0.98 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1waj h TYR 673 CO 0.10 -0.21 -0.13 -1.33 -1.64 0.00 0.00 178.16 174.95 1waj n MET 674 N -5.34 0.47 -3.69 1.82 2.81 0.20 -4.54 117.12 108.85 1waj n MET 674 Ca 0.03 -0.14 -0.29 0.00 -1.81 0.00 0.00 57.70 55.49 1waj n MET 674 Cb 0.25 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.30 1waj n MET 674 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1waj n ASN 675 N -1.14 -4.37 -4.46 7.83 5.15 0.35 -1.73 115.26 116.89 1waj n ASN 675 Ca 0.12 -0.98 -0.28 0.00 -0.60 0.00 0.00 54.58 52.85 1waj n ASN 675 Cb 0.29 -3.53 0.14 0.00 -0.53 0.00 0.00 39.78 36.15 1waj n ASN 675 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1waj s ASN 676 N -3.67 3.80 0.14 1.20 0.01 -0.02 -3.14 114.94 113.25 1waj s ASN 676 Ca 0.37 0.25 -0.05 0.00 -0.71 0.00 0.00 52.86 52.72 1waj s ASN 676 Cb -0.12 -0.51 -0.07 0.00 0.41 0.00 0.00 41.25 40.96 1waj s ASN 676 CO 0.85 -2.28 1.34 0.50 -1.51 0.00 0.00 177.10 175.99 1waj h LYS 677 N -1.20 0.49 -4.60 -0.60 3.64 -1.41 -3.48 116.57 109.41 1waj h LYS 677 Ca -0.43 -0.46 -0.38 0.00 -1.27 0.00 0.00 60.65 58.11 1waj h LYS 677 Cb 1.27 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 33.09 1waj h LYS 677 CO 0.46 1.10 -0.40 -0.65 -2.27 0.00 0.00 179.45 177.69 1waj s GLN 678 N -3.45 1.76 -0.11 1.90 -0.21 -1.24 -5.10 119.66 113.20 1waj s GLN 678 Ca -0.07 -1.89 -0.14 0.00 0.02 0.00 0.00 55.36 53.28 1waj s GLN 678 Cb 0.09 0.36 -0.27 0.00 1.00 0.00 0.00 33.01 34.20 1waj s GLN 678 CO 0.87 -0.67 0.50 1.25 -2.12 0.00 0.00 175.29 175.12 1waj h HIS 679 N 2.17 0.44 0.00 0.91 -0.00 -1.92 -3.45 115.15 113.29 1waj h HIS 679 Ca -0.27 -0.32 0.00 0.00 -0.00 0.00 0.00 60.37 59.78 1waj h HIS 679 Cb 1.24 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.63 1waj h HIS 679 CO 1.50 1.60 0.00 1.28 -0.00 0.00 0.00 177.93 182.31 1waj n LEU 680 N -3.86 0.00 -4.33 0.26 4.77 -1.26 -4.79 117.00 107.79 1waj n LEU 680 Ca -0.27 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.25 1waj n LEU 680 Cb 0.92 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 1waj n LEU 680 CO 0.40 0.00 0.38 -0.04 -1.33 0.00 0.00 177.39 176.81 1waj s MET 681 N 0.00 3.44 -0.06 3.23 -1.94 -1.26 -4.88 119.30 117.83 1waj s MET 681 Ca 0.00 -2.22 0.04 0.00 -1.71 0.00 0.00 55.69 51.80 1waj s MET 681 Cb 0.00 -4.42 -0.02 0.00 2.01 0.00 0.00 34.83 32.40 1waj s MET 681 CO 0.00 -1.33 -0.18 -0.06 -0.01 0.00 0.00 175.02 173.45 1waj s PHE 682 N 0.69 2.63 -0.01 -0.03 0.08 -1.26 -4.92 117.98 115.16 1waj s PHE 682 Ca 0.15 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.85 1waj s PHE 682 Cb -0.15 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1waj s PHE 682 CO -0.06 0.01 -0.10 1.41 -0.10 0.00 0.00 175.22 176.39 1waj s MET 683 N -0.42 0.78 0.11 0.44 1.75 -1.26 -1.16 119.30 119.53 1waj s MET 683 Ca 0.05 -0.35 0.05 0.00 -1.25 0.00 0.00 55.69 54.19 1waj s MET 683 Cb -0.12 -0.75 -0.04 0.00 2.84 0.00 0.00 34.83 36.76 1waj s MET 683 CO 0.02 0.21 -0.12 0.16 -0.65 0.00 0.00 175.02 174.63 1waj s ASP 684 N -0.24 1.76 0.98 1.11 1.47 -0.94 -4.90 116.67 115.91 1waj s ASP 684 Ca 0.04 -0.80 -0.11 0.00 1.18 0.00 0.00 52.55 52.85 1waj s ASP 684 Cb -0.04 -0.04 0.18 0.00 -0.34 0.00 0.00 42.92 42.69 1waj s ASP 684 CO -0.00 -0.19 1.09 -0.60 0.68 0.00 0.00 175.17 176.15 1waj s ARG 685 N -2.69 0.54 0.32 2.11 3.52 -1.26 -0.82 118.95 120.67 1waj s ARG 685 Ca 0.07 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1waj s ARG 685 Cb -0.04 -1.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.64 1waj s ARG 685 CO 0.02 -2.81 0.00 -0.85 -0.81 0.00 0.00 175.30 170.84 1waj n GLU 686 N -4.31 0.00 -4.15 5.12 0.28 0.65 -4.69 120.64 113.53 1waj n GLU 686 Ca 0.07 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.85 1waj n GLU 686 Cb 0.54 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.36 1waj n GLU 686 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1waj s ALA 687 N -2.00 3.51 -0.12 -1.84 0.00 -1.16 0.50 121.76 120.64 1waj s ALA 687 Ca 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1waj s ALA 687 Cb 0.00 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.97 1waj s ALA 687 CO 0.00 0.27 0.26 0.42 0.00 0.00 0.00 175.76 176.71 1waj s ILE 688 N -2.13 -0.29 0.05 0.00 1.01 -0.80 -2.15 121.20 116.89 1waj s ILE 688 Ca 0.32 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.23 1waj s ILE 688 Cb -0.08 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 1waj s ILE 688 CO 0.24 0.10 -0.06 0.00 0.00 0.00 0.00 174.94 175.22 1waj s ALA 689 N 2.06 0.58 0.00 9.38 0.00 0.27 -1.94 121.76 132.11 1waj s ALA 689 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1waj s ALA 689 Cb -0.11 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1waj s ALA 689 CO -0.08 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1waj n GLY 690 N 0.81 1.31 3.79 0.00 0.00 -0.62 -1.36 105.19 109.11 1waj n GLY 690 Ca -0.18 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1waj n GLY 690 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1waj s PRO 691 N -2.00 3.85 0.00 1.61 0.04 -1.26 -4.63 135.00 132.61 1waj s PRO 691 Ca 0.00 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1waj s PRO 691 Cb 0.00 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1waj s PRO 691 CO 0.00 -0.41 0.25 -2.30 0.04 0.00 0.00 177.00 174.58 1waj n PRO 692 N -0.74 0.00 -1.17 0.56 -0.02 -1.26 -4.86 135.00 127.50 1waj n PRO 692 Ca 0.08 0.01 -0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1waj n PRO 692 Cb 0.51 -1.71 -0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1waj n PRO 692 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1waj n LEU 693 N -0.75 -2.38 0.00 2.45 0.00 -1.26 -4.37 117.00 110.69 1waj n LEU 693 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 56.01 56.24 1waj n LEU 693 Cb 0.21 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 42.44 1waj n LEU 693 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 177.39 177.74 1waj n GLY 694 N 0.15 3.02 3.76 -3.96 0.00 -1.26 -4.84 105.19 102.06 1waj n GLY 694 Ca -0.00 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1waj n GLY 694 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1waj s SER 695 N 0.00 6.57 -0.09 1.61 1.04 -1.26 -4.87 113.70 116.70 1waj s SER 695 Ca 0.00 2.80 0.00 0.00 0.48 0.00 0.00 55.95 59.23 1waj s SER 695 Cb 0.00 -2.64 0.11 0.00 0.10 0.00 0.00 66.02 63.59 1waj s SER 695 CO 0.00 -0.74 1.35 0.29 0.98 0.00 0.00 173.24 175.12 1waj n LYS 696 N 1.67 1.24 -1.91 4.02 5.02 -1.03 -4.78 118.16 122.40 1waj n LYS 696 Ca 0.05 -0.55 -0.29 0.00 -2.02 0.00 0.00 58.31 55.49 1waj n LYS 696 Cb 0.40 -1.22 0.07 0.00 -0.02 0.00 0.00 35.03 34.26 1waj n LYS 696 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1waj s GLY 697 N 0.74 1.61 0.00 0.72 0.00 -1.00 -3.60 107.32 105.80 1waj s GLY 697 Ca 0.11 -0.52 0.14 0.00 0.00 0.00 0.00 44.72 44.45 1waj s GLY 697 CO 0.02 -0.09 0.78 0.29 0.00 0.00 0.00 173.10 174.09 1waj n ILE 698 N -3.16 0.00 0.00 0.90 -5.35 -1.12 -4.65 119.36 105.99 1waj n ILE 698 Ca 0.07 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1waj n ILE 698 Cb 0.59 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 1waj n ILE 698 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1waj n GLY 699 N 1.11 2.34 3.47 3.28 0.00 -0.71 -2.55 105.19 112.13 1waj n GLY 699 Ca 0.06 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 1waj n GLY 699 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1waj s GLY 700 N 0.00 1.63 -0.20 -0.02 0.00 -0.86 -0.79 107.32 107.08 1waj s GLY 700 Ca 0.00 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 1waj s GLY 700 CO 0.00 -1.05 1.10 -0.11 0.00 0.00 0.00 173.10 173.04 1waj s PHE 701 N -3.00 -0.28 0.03 1.90 -0.71 -0.91 -1.50 117.98 113.52 1waj s PHE 701 Ca 0.32 0.48 0.08 0.00 -1.04 0.00 0.00 56.93 56.76 1waj s PHE 701 Cb -0.00 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1waj s PHE 701 CO 0.22 -0.26 -0.23 -1.58 -1.34 0.00 0.00 175.22 172.03 1waj s TRP 702 N -1.07 2.01 -0.22 3.49 0.52 -0.76 -2.40 118.94 120.51 1waj s TRP 702 Ca 0.01 -0.39 0.13 0.00 0.02 0.00 0.00 56.10 55.87 1waj s TRP 702 Cb -0.01 -1.22 -0.22 0.00 -1.15 0.00 0.00 33.47 30.87 1waj s TRP 702 CO -0.01 0.08 -0.02 2.41 0.02 0.00 0.00 176.95 179.43 1waj n THR 703 N 1.97 1.43 -3.40 2.01 -1.04 0.95 -3.22 114.28 112.97 1waj n THR 703 Ca -0.17 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.08 1waj n THR 703 Cb 0.53 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 1waj n THR 703 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1waj n GLY 704 N 1.91 -0.69 3.69 3.41 0.00 -1.11 -4.68 105.19 107.73 1waj n GLY 704 Ca -0.37 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 1waj n GLY 704 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1waj n LYS 705 N 0.00 2.42 -1.41 1.61 5.02 -1.26 -1.91 118.16 122.64 1waj n LYS 705 Ca 0.00 0.87 -0.13 0.00 -2.02 0.00 0.00 58.31 57.03 1waj n LYS 705 Cb 0.00 -2.66 -0.05 0.00 -0.02 0.00 0.00 35.03 32.30 1waj n LYS 705 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1waj n LYS 706 N 3.37 -1.31 -3.85 1.97 5.02 -1.26 -4.89 118.16 117.22 1waj n LYS 706 Ca 0.15 0.75 -0.30 0.00 -2.02 0.00 0.00 58.31 56.89 1waj n LYS 706 Cb 0.32 -5.00 -0.15 0.00 -0.02 0.00 0.00 35.03 30.19 1waj n LYS 706 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1waj s ARG 707 N -3.15 1.20 0.26 1.97 0.52 -0.80 -3.46 118.95 115.49 1waj s ARG 707 Ca 0.00 -1.67 -0.20 0.00 -0.52 0.00 0.00 55.73 53.34 1waj s ARG 707 Cb 0.00 -2.59 0.03 0.00 0.52 0.00 0.00 34.95 32.90 1waj s ARG 707 CO 0.00 -1.02 0.67 1.52 0.02 0.00 0.00 175.30 176.50 1waj s TYR 708 N 0.96 -0.19 -0.09 -0.53 1.13 -0.66 -0.04 117.35 117.93 1waj s TYR 708 Ca 0.12 -0.22 -0.08 0.00 -1.41 0.00 0.00 57.07 55.49 1waj s TYR 708 Cb -0.20 0.63 0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1waj s TYR 708 CO -0.12 -1.15 0.23 0.00 -2.51 0.00 0.00 175.55 172.00 1waj s ALA 709 N -3.90 -0.57 -0.00 9.51 0.00 -1.01 -0.98 121.76 124.81 1waj s ALA 709 Ca 0.10 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 1waj s ALA 709 Cb -0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1waj s ALA 709 CO 0.04 -0.12 0.04 -0.51 0.00 0.00 0.00 175.76 175.21 1waj s LEU 710 N 0.32 1.91 -0.54 0.00 1.43 -0.94 -2.14 118.68 118.73 1waj s LEU 710 Ca -0.02 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.69 1waj s LEU 710 Cb -0.03 0.26 0.06 0.00 0.03 0.00 0.00 46.19 46.51 1waj s LEU 710 CO -0.01 -0.20 0.72 0.21 0.23 0.00 0.00 176.35 177.30 1waj s ASN 711 N -0.86 6.24 -0.22 2.29 2.47 0.03 -2.31 114.94 122.59 1waj s ASN 711 Ca -0.09 -0.87 -0.10 0.00 0.42 0.00 0.00 52.86 52.22 1waj s ASN 711 Cb -0.06 -2.33 -0.05 0.00 -1.45 0.00 0.00 41.25 37.36 1waj s ASN 711 CO -0.00 -1.03 0.14 -0.69 -3.72 0.00 0.00 177.10 171.81 1waj s VAL 712 N 3.00 5.39 -0.25 -5.21 1.01 0.66 -1.59 120.40 123.41 1waj s VAL 712 Ca 0.18 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1waj s VAL 712 Cb -0.18 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.56 1waj s VAL 712 CO 0.13 0.40 -0.24 0.79 0.00 0.00 0.00 175.10 176.18 1waj n TRP 713 N 3.83 0.00 -4.53 5.22 7.02 -0.82 -0.42 117.44 127.74 1waj n TRP 713 Ca -0.16 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.11 1waj n TRP 713 Cb 0.52 -0.96 -0.15 0.00 -2.42 0.00 0.00 31.31 28.30 1waj n TRP 713 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1waj s ASP 714 N -6.58 1.44 -0.14 -0.99 -1.08 -1.21 -1.22 116.67 106.89 1waj s ASP 714 Ca -0.34 -0.22 -0.03 0.00 -0.52 0.00 0.00 52.55 51.43 1waj s ASP 714 Cb 0.10 -0.23 0.05 0.00 -1.46 0.00 0.00 42.92 41.38 1waj s ASP 714 CO 0.56 0.13 0.06 -0.32 0.52 0.00 0.00 175.17 176.12 1waj s MET 715 N -0.16 0.26 -1.41 4.34 -2.45 -1.14 -1.91 119.30 116.83 1waj s MET 715 Ca 0.02 -0.05 -0.09 0.00 -1.25 0.00 0.00 55.69 54.32 1waj s MET 715 Cb -0.06 -1.53 0.04 0.00 1.25 0.00 0.00 34.83 34.52 1waj s MET 715 CO -0.00 -0.55 1.04 -1.91 1.05 0.00 0.00 175.02 174.65 1waj n GLU 716 N 5.21 -6.60 0.00 4.11 4.07 0.18 -2.83 120.64 124.78 1waj n GLU 716 Ca -0.07 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.75 1waj n GLU 716 Cb 0.49 -5.66 0.00 0.00 -0.06 0.00 0.00 31.44 26.21 1waj n GLU 716 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1waj n GLY 717 N -1.76 1.99 3.60 8.31 0.00 -1.26 -4.99 105.19 111.07 1waj n GLY 717 Ca -0.04 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1waj n GLY 717 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1waj s THR 718 N -0.24 3.37 0.76 2.61 -4.23 -1.13 -4.98 115.64 111.80 1waj s THR 718 Ca 0.00 0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 1waj s THR 718 Cb 0.00 -3.50 0.05 0.00 1.34 0.00 0.00 72.50 70.39 1waj s THR 718 CO 0.00 -0.33 1.08 -0.60 -0.54 0.00 0.00 174.62 174.24 1waj s ARG 719 N 5.86 2.35 0.03 3.99 6.06 -1.26 -2.90 118.95 133.07 1waj s ARG 719 Ca 0.84 1.09 0.05 0.00 -2.50 0.00 0.00 55.73 55.22 1waj s ARG 719 Cb -0.25 -1.91 -0.03 0.00 0.06 0.00 0.00 34.95 32.82 1waj s ARG 719 CO 0.34 -1.56 -0.12 0.71 -2.50 0.00 0.00 175.30 172.17 1waj s TYR 720 N -2.94 2.72 0.00 5.12 2.02 -0.36 -4.97 117.35 118.94 1waj s TYR 720 Ca 0.61 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 57.15 1waj s TYR 720 Cb -0.16 -1.52 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1waj s TYR 720 CO 0.56 0.33 0.57 0.00 -1.57 0.00 0.00 175.55 175.43 1waj n ALA 721 N 1.43 -0.27 -2.76 3.71 0.00 -1.26 -4.74 120.51 116.62 1waj n ALA 721 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 1waj n ALA 721 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1waj n ALA 721 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1waj s GLU 722 N -2.03 3.12 0.47 0.00 8.01 -1.26 -5.07 118.70 121.94 1waj s GLU 722 Ca 0.00 -0.37 -0.23 0.00 0.01 0.00 0.00 54.97 54.38 1waj s GLU 722 Cb 0.00 -2.91 -0.08 0.00 -4.31 0.00 0.00 34.13 26.83 1waj s GLU 722 CO 0.00 0.70 1.15 -2.30 0.01 0.00 0.00 175.26 174.82 1waj n PRO 723 N 1.77 1.55 -4.24 0.39 -0.02 -1.26 -4.99 135.00 128.20 1waj n PRO 723 Ca -0.17 0.56 -0.28 0.00 -2.02 0.00 0.00 63.50 61.59 1waj n PRO 723 Cb 0.54 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.65 1waj n PRO 723 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1waj s LYS 724 N -2.34 2.13 -0.37 -0.52 1.02 0.44 -4.90 119.74 115.20 1waj s LYS 724 Ca 0.66 -1.12 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 1waj s LYS 724 Cb -0.49 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1waj s LYS 724 CO 0.55 0.48 0.19 -0.51 -0.92 0.00 0.00 175.35 175.13 1waj s LEU 725 N -2.50 4.66 -0.51 3.17 1.43 -1.26 -0.25 118.68 123.42 1waj s LEU 725 Ca 0.23 -1.02 -0.21 0.00 -1.03 0.00 0.00 54.13 52.10 1waj s LEU 725 Cb -0.10 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.17 1waj s LEU 725 CO 0.15 -0.38 0.73 -0.75 0.23 0.00 0.00 176.35 176.33 1waj s LYS 726 N 1.53 3.21 -0.08 1.70 2.20 -0.98 -4.96 119.74 122.37 1waj s LYS 726 Ca 0.01 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 54.98 1waj s LYS 726 Cb -0.19 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.03 1waj s LYS 726 CO 0.06 -1.27 0.07 0.42 -0.36 0.00 0.00 175.35 174.27 1waj s ILE 727 N 3.07 4.85 -0.06 5.43 1.09 -1.26 -2.21 121.20 132.11 1waj s ILE 727 Ca 0.21 -0.12 -0.02 0.00 -1.10 0.00 0.00 60.65 59.62 1waj s ILE 727 Cb -0.16 -3.11 0.04 0.00 -1.06 0.00 0.00 42.46 38.16 1waj s ILE 727 CO 0.15 0.55 0.11 -0.04 -0.10 0.00 0.00 174.94 175.61 1waj s MET 728 N -1.15 0.01 0.00 2.79 -1.94 -0.16 -4.92 119.30 113.93 1waj s MET 728 Ca 0.16 0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.55 1waj s MET 728 Cb -0.12 -0.30 0.00 0.00 2.01 0.00 0.00 34.83 36.42 1waj s MET 728 CO 0.06 -0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.23 1waj n GLY 729 N 4.84 0.96 0.90 -0.03 0.00 -1.22 -1.66 105.19 108.98 1waj n GLY 729 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1waj n GLY 729 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1waj n LEU 730 N 0.00 1.61 -1.02 0.99 4.77 -1.26 -4.85 117.00 117.25 1waj n LEU 730 Ca 0.00 -0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 55.09 1waj n LEU 730 Cb 0.00 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1waj n LEU 730 CO 0.00 0.28 -0.08 -1.84 -1.33 0.00 0.00 177.39 174.42 1waj n GLU 731 N 0.59 -1.40 0.00 3.23 0.00 -1.26 -4.73 120.64 117.07 1waj n GLU 731 Ca 0.00 0.55 0.14 0.00 0.00 0.00 0.00 57.16 57.85 1waj n GLU 731 Cb 0.28 -4.59 0.71 0.00 0.00 0.00 0.00 31.44 27.84 1waj n GLU 731 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1waj n THR 732 N -1.55 0.02 -0.04 3.84 -2.24 -1.26 -3.65 114.28 109.39 1waj n THR 732 Ca -0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 1waj n THR 732 Cb 0.33 -0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.00 1waj n THR 732 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1waj n GLN 733 N -1.34 1.02 -1.41 -0.78 3.00 -1.26 -4.81 117.38 111.79 1waj n GLN 733 Ca 0.12 0.04 -0.61 0.00 -0.01 0.00 0.00 57.00 56.54 1waj n GLN 733 Cb 0.26 -1.19 -0.11 0.00 0.00 0.00 0.00 30.24 29.20 1waj n GLN 733 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1waj n LYS 734 N -2.63 0.17 0.07 -1.09 5.02 -1.24 -4.69 118.16 113.77 1waj n LYS 734 Ca -0.16 0.05 0.02 0.00 -2.02 0.00 0.00 58.31 56.21 1waj n LYS 734 Cb 0.70 -1.63 0.11 0.00 -0.02 0.00 0.00 35.03 34.20 1waj n LYS 734 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1waj n SER 735 N 6.83 0.11 0.08 4.39 7.64 -1.26 -1.22 113.62 130.18 1waj n SER 735 Ca 0.47 0.33 -0.02 0.00 1.01 0.00 0.00 58.87 60.66 1waj n SER 735 Cb -0.01 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 1waj n SER 735 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1waj h SER 736 N 0.00 0.00 -3.42 6.43 4.64 -1.84 -3.40 113.55 115.96 1waj h SER 736 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1waj h SER 736 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1waj h SER 736 CO 0.00 0.72 0.48 0.42 -0.87 0.00 0.00 176.83 177.58 1waj s THR 737 N -2.84 4.10 0.14 2.95 -4.23 -0.36 -1.62 115.64 113.78 1waj s THR 737 Ca 0.01 1.65 -0.34 0.00 -1.18 0.00 0.00 61.69 61.83 1waj s THR 737 Cb 0.09 -4.06 -0.16 0.00 1.34 0.00 0.00 72.50 69.71 1waj s THR 737 CO 0.79 0.21 1.27 -2.65 -0.54 0.00 0.00 174.62 173.69 1waj n PRO 738 N 3.12 1.27 -0.18 3.99 -0.02 -1.25 -4.71 135.00 137.23 1waj n PRO 738 Ca 0.05 0.46 0.29 0.00 -2.02 0.00 0.00 63.50 62.28 1waj n PRO 738 Cb 0.47 -2.03 0.72 0.00 -0.02 0.00 0.00 33.50 32.64 1waj n PRO 738 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1waj h LYS 739 N 4.01 0.00 -0.03 -0.52 1.57 -1.68 0.30 116.57 120.22 1waj h LYS 739 Ca -0.45 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1waj h LYS 739 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1waj h LYS 739 CO 0.74 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 179.55 1waj h ALA 740 N 1.45 0.04 -0.61 3.86 0.00 -1.71 -3.20 119.26 119.09 1waj h ALA 740 Ca 0.44 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1waj h ALA 740 Cb 1.84 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 1waj h ALA 740 CO -0.00 -0.10 0.09 0.28 0.00 0.00 0.00 179.25 179.51 1waj h VAL 741 N -0.47 1.26 -0.82 0.00 2.07 -0.77 -1.50 116.25 116.01 1waj h VAL 741 Ca -0.00 -1.01 0.11 0.00 0.82 0.00 0.00 66.70 66.62 1waj h VAL 741 Cb 0.68 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1waj h VAL 741 CO 0.02 0.37 0.45 1.56 0.02 0.00 0.00 177.57 179.98 1waj h GLN 742 N 0.95 0.69 -0.10 1.57 4.20 -0.82 0.30 115.11 121.90 1waj h GLN 742 Ca 0.19 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.68 1waj h GLN 742 Cb 0.43 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1waj h GLN 742 CO 0.01 0.46 -0.70 0.87 -0.67 0.00 0.00 178.83 178.80 1waj h LYS 743 N 0.71 0.44 0.43 1.46 1.57 -1.49 -2.65 116.57 117.04 1waj h LYS 743 Ca 0.42 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1waj h LYS 743 Cb 0.47 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1waj h LYS 743 CO -0.29 0.97 -0.21 0.00 -0.57 0.00 0.00 179.45 179.35 1waj h ALA 744 N 0.94 -0.58 -0.25 3.86 0.00 0.15 -1.95 119.26 121.42 1waj h ALA 744 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1waj h ALA 744 Cb 1.27 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1waj h ALA 744 CO 0.12 -0.81 0.17 -0.07 0.00 0.00 0.00 179.25 178.66 1waj h LEU 745 N -0.63 0.29 -0.69 0.00 3.38 -0.58 -0.81 115.31 116.27 1waj h LEU 745 Ca -0.06 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.05 1waj h LEU 745 Cb 0.47 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 1waj h LEU 745 CO 0.10 0.21 -0.09 0.50 0.09 0.00 0.00 178.44 179.24 1waj h LYS 746 N 0.34 0.04 0.57 1.13 3.64 -1.38 0.22 116.57 121.13 1waj h LYS 746 Ca 0.09 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1waj h LYS 746 Cb -0.04 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1waj h LYS 746 CO -0.02 0.03 -0.27 0.93 -2.27 0.00 0.00 179.45 177.84 1waj h GLU 747 N 0.04 -0.74 -0.78 1.90 4.39 -0.67 -0.86 114.58 117.86 1waj h GLU 747 Ca 0.35 0.05 0.15 0.00 0.34 0.00 0.00 59.36 60.25 1waj h GLU 747 Cb 0.57 0.17 -0.15 0.00 -0.10 0.00 0.00 28.75 29.24 1waj h GLU 747 CO -0.67 -0.45 -0.24 0.00 -1.16 0.00 0.00 179.01 176.49 1waj h ILE 749 N -0.03 0.85 -0.49 0.00 2.04 -0.24 0.21 117.51 119.85 1waj h ILE 749 Ca 0.36 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.16 1waj h ILE 749 Cb 0.58 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1waj h ILE 749 CO -0.82 0.04 0.29 -0.09 0.00 0.00 0.00 178.15 177.57 1waj h ARG 750 N 0.22 0.56 -0.22 2.37 2.43 0.70 0.10 114.38 120.55 1waj h ARG 750 Ca 0.17 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1waj h ARG 750 Cb 0.17 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1waj h ARG 750 CO -0.20 0.37 0.15 0.00 -1.51 0.00 0.00 179.97 178.78 1waj h ARG 751 N 0.58 0.16 0.26 0.20 3.08 0.10 0.20 114.38 118.96 1waj h ARG 751 Ca 0.19 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1waj h ARG 751 Cb 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1waj h ARG 751 CO -0.09 0.11 -0.12 0.52 -1.07 0.00 0.00 179.97 179.32 1waj h MET 752 N 0.17 -0.33 -0.83 0.04 2.86 0.13 0.32 114.93 117.28 1waj h MET 752 Ca 0.09 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.93 1waj h MET 752 Cb 0.17 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 1waj h MET 752 CO -0.02 -0.22 0.55 -0.07 1.06 0.00 0.00 176.91 178.22 1waj h LEU 753 N -0.94 0.44 0.00 1.22 3.38 -0.59 -2.87 115.31 115.95 1waj h LEU 753 Ca -0.04 0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 1waj h LEU 753 Cb 0.26 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1waj h LEU 753 CO 0.06 0.21 -2.07 0.00 0.09 0.00 0.00 178.44 176.72 1waj n GLN 754 N -4.50 0.90 -0.10 1.13 6.02 0.03 -1.74 117.38 119.13 1waj n GLN 754 Ca 0.17 0.06 -0.20 0.00 -0.01 0.00 0.00 57.00 57.03 1waj n GLN 754 Cb 0.59 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 30.39 1waj n GLN 754 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1waj n GLU 755 N -2.86 0.42 0.00 -1.09 1.02 -0.65 -3.71 120.64 113.77 1waj n GLU 755 Ca -0.30 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 1waj n GLU 755 Cb 0.91 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1waj n GLU 755 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1waj n GLY 756 N 1.93 2.46 0.24 0.62 0.00 0.10 -2.36 105.19 108.18 1waj n GLY 756 Ca -0.38 -2.05 -0.01 0.00 0.00 0.00 0.00 46.02 43.59 1waj n GLY 756 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1waj n GLU 757 N -0.10 -0.15 -0.19 1.61 2.13 -1.26 -0.76 120.64 121.92 1waj n GLU 757 Ca 0.00 0.95 -0.01 0.00 0.66 0.00 0.00 57.16 58.76 1waj n GLU 757 Cb 0.00 -1.40 0.07 0.00 0.27 0.00 0.00 31.44 30.38 1waj n GLU 757 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1waj h GLU 758 N 0.00 0.06 0.27 5.31 4.57 -1.92 0.54 114.58 123.41 1waj h GLU 758 Ca 0.21 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1waj h GLU 758 Cb 0.36 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1waj h GLU 758 CO -0.61 0.04 -0.13 1.03 -1.18 0.00 0.00 179.01 178.16 1waj h SER 759 N 0.06 -0.30 -0.57 1.04 0.87 -1.27 -3.02 113.55 110.35 1waj h SER 759 Ca 0.29 -0.13 0.12 0.00 -1.23 0.00 0.00 61.79 60.84 1waj h SER 759 Cb 0.45 0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 62.39 1waj h SER 759 CO -0.54 -0.05 -0.04 0.25 -0.53 0.00 0.00 176.83 175.93 1waj h LEU 760 N -0.56 -0.33 -0.24 2.23 6.46 -1.06 -2.48 115.31 119.33 1waj h LEU 760 Ca -0.04 0.15 0.06 0.00 -0.12 0.00 0.00 57.88 57.93 1waj h LEU 760 Cb 0.41 0.28 -0.07 0.00 -0.73 0.00 0.00 40.66 40.55 1waj h LEU 760 CO 0.06 -0.12 -0.19 1.56 -0.62 0.00 0.00 178.44 179.12 1waj h GLN 761 N 0.08 -0.18 -0.93 1.25 4.20 -0.87 -1.05 115.11 117.62 1waj h GLN 761 Ca 0.29 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.02 1waj h GLN 761 Cb 0.46 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 1waj h GLN 761 CO -0.51 -0.12 0.60 1.05 -0.67 0.00 0.00 178.83 179.17 1waj h GLU 762 N -0.19 1.24 0.44 1.46 4.11 -1.33 -2.21 114.58 118.10 1waj h GLU 762 Ca 0.14 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 1waj h GLU 762 Cb 0.40 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1waj h GLU 762 CO -0.36 0.83 -0.21 -0.92 0.07 0.00 0.00 179.01 178.43 1waj h TYR 763 N 1.27 -0.55 -0.92 2.06 5.03 -1.07 -1.90 116.97 120.89 1waj h TYR 763 Ca 0.34 -0.01 0.27 0.00 2.58 0.00 0.00 58.73 61.90 1waj h TYR 763 Cb -0.12 0.18 -0.15 0.00 1.55 0.00 0.00 36.73 38.19 1waj h TYR 763 CO 0.00 -0.33 0.27 0.35 -1.32 0.00 0.00 178.16 177.13 1waj h PHE 764 N -0.62 0.39 -0.47 -3.82 3.57 -0.65 0.76 116.94 116.10 1waj h PHE 764 Ca -0.06 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1waj h PHE 764 Cb 0.47 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1waj h PHE 764 CO -0.04 -0.26 0.23 -0.22 -2.23 0.00 0.00 178.31 175.78 1waj h LYS 765 N 0.17 0.68 0.00 1.11 1.63 -0.83 -3.34 116.57 115.98 1waj h LYS 765 Ca 0.60 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1waj h LYS 765 Cb 1.29 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1waj h LYS 765 CO -0.70 0.57 0.00 0.39 -3.45 0.00 0.00 179.45 176.26 1waj n GLU 766 N -4.63 0.00 -2.09 1.90 -0.58 0.26 -2.77 120.64 112.72 1waj n GLU 766 Ca 0.01 0.34 -0.40 0.00 -0.42 0.00 0.00 57.16 56.69 1waj n GLU 766 Cb 0.11 -1.25 -0.03 0.00 -0.57 0.00 0.00 31.44 29.70 1waj n GLU 766 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1waj s PHE 767 N -2.01 1.80 0.00 -0.32 2.19 -0.91 -0.26 117.98 118.48 1waj s PHE 767 Ca 0.00 0.70 0.00 0.00 0.33 0.00 0.00 56.93 57.96 1waj s PHE 767 Cb 0.00 -4.15 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 1waj s PHE 767 CO 0.00 -2.38 0.00 -1.91 1.83 0.00 0.00 175.22 172.76 1waj n GLU 768 N 8.95 0.00 0.05 10.12 4.07 -1.25 -4.64 120.64 137.94 1waj n GLU 768 Ca 0.19 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.27 1waj n GLU 768 Cb 0.50 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.87 1waj n GLU 768 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1waj h LYS 769 N 0.00 -0.16 0.00 5.31 3.11 -0.44 -3.33 116.57 121.06 1waj h LYS 769 Ca 0.00 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1waj h LYS 769 Cb 0.00 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1waj h LYS 769 CO 0.00 -0.11 -0.06 1.05 -2.81 0.00 0.00 179.45 177.52 1waj h GLU 770 N -0.56 0.00 -0.84 1.90 4.11 -1.55 -3.10 114.58 114.54 1waj h GLU 770 Ca -0.02 0.00 0.21 0.00 0.07 0.00 0.00 59.36 59.63 1waj h GLU 770 Cb 0.13 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.22 1waj h GLU 770 CO 0.03 0.06 -0.05 0.34 0.07 0.00 0.00 179.01 179.45 1waj n PHE 771 N -3.89 0.47 -0.27 2.06 7.35 -1.25 -0.05 117.46 121.88 1waj n PHE 771 Ca -0.03 1.02 -0.05 0.00 -0.76 0.00 0.00 57.45 57.64 1waj n PHE 771 Cb 0.15 -1.09 0.06 0.00 0.35 0.00 0.00 39.48 38.95 1waj n PHE 771 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1waj h ARG 772 N 0.00 1.01 0.00 -4.13 3.08 -1.75 -2.90 114.38 109.70 1waj h ARG 772 Ca 0.48 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1waj h ARG 772 Cb 0.92 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1waj h ARG 772 CO -0.81 0.70 0.00 1.04 -1.07 0.00 0.00 179.97 179.83 1waj n GLN 773 N -4.52 0.78 -2.30 0.04 3.00 0.93 -4.87 117.38 110.44 1waj n GLN 773 Ca 0.07 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.80 1waj n GLN 773 Cb 0.04 -1.22 0.05 0.00 0.00 0.00 0.00 30.24 29.11 1waj n GLN 773 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1waj s LEU 774 N -1.43 3.05 0.12 1.08 1.43 -1.10 -5.02 118.68 116.81 1waj s LEU 774 Ca 0.16 0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 53.56 1waj s LEU 774 Cb 0.07 -3.35 -0.07 0.00 0.03 0.00 0.00 46.19 42.87 1waj s LEU 774 CO 0.12 -1.30 1.27 0.21 0.23 0.00 0.00 176.35 176.88 1waj s ASN 775 N -4.40 6.99 0.23 2.29 3.84 -1.26 -4.93 114.94 117.70 1waj s ASN 775 Ca 0.57 2.20 -0.08 0.00 0.21 0.00 0.00 52.86 55.76 1waj s ASN 775 Cb -0.11 -2.59 0.40 0.00 -0.55 0.00 0.00 41.25 38.40 1waj s ASN 775 CO 0.45 -0.51 1.66 0.10 -2.79 0.00 0.00 177.10 176.02 1waj h TYR 776 N 6.27 0.08 -0.30 0.43 -0.00 -1.95 -2.33 116.97 119.18 1waj h TYR 776 Ca -0.43 0.05 0.07 0.00 0.00 0.00 0.00 58.73 58.42 1waj h TYR 776 Cb 1.21 0.07 -0.08 0.00 0.00 0.00 0.00 36.73 37.94 1waj h TYR 776 CO 0.65 -0.15 -0.25 0.82 -0.00 0.00 0.00 178.16 179.23 1waj h ILE 777 N 0.17 0.37 -0.44 -0.90 2.04 -1.95 -0.11 117.51 116.69 1waj h ILE 777 Ca 0.38 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.36 1waj h ILE 777 Cb 0.65 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1waj h ILE 777 CO -0.55 0.00 0.31 0.77 0.00 0.00 0.00 178.15 178.68 1waj h SER 778 N -0.22 0.06 -0.32 1.72 4.64 -1.82 -0.70 113.55 116.90 1waj h SER 778 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1waj h SER 778 Cb 0.47 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1waj h SER 778 CO -0.43 0.04 0.00 2.30 -0.87 0.00 0.00 176.83 177.86 1waj n ILE 779 N -4.42 0.41 -2.15 0.95 -5.35 -0.22 -1.93 119.36 106.65 1waj n ILE 779 Ca 0.07 -0.65 -0.31 0.00 -0.27 0.00 0.00 62.75 61.60 1waj n ILE 779 Cb 0.47 0.89 -0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1waj n ILE 779 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1waj s ALA 780 N -1.59 3.16 0.54 -1.28 0.00 -0.23 -4.83 121.76 117.53 1waj s ALA 780 Ca 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 1waj s ALA 780 Cb 0.22 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.37 1waj s ALA 780 CO 0.30 -0.51 0.79 0.45 0.00 0.00 0.00 175.76 176.79 1waj s SER 781 N -3.91 5.51 -0.01 0.00 0.15 -1.17 -3.85 113.70 110.43 1waj s SER 781 Ca 0.54 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1waj s SER 781 Cb -0.11 -1.33 0.01 0.00 -1.71 0.00 0.00 66.02 62.88 1waj s SER 781 CO 0.47 -1.00 0.01 -0.69 1.20 0.00 0.00 173.24 173.23 1waj s VAL 782 N -2.78 0.00 0.34 4.45 1.01 -0.64 -4.24 120.40 118.54 1waj s VAL 782 Ca 0.53 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 1waj s VAL 782 Cb -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.25 1waj s VAL 782 CO 0.40 0.03 0.57 -0.94 0.00 0.00 0.00 175.10 175.16 1waj s SER 783 N 0.32 0.49 0.03 3.32 1.04 -1.14 -3.85 113.70 113.91 1waj s SER 783 Ca -0.03 -1.29 0.09 0.00 0.48 0.00 0.00 55.95 55.20 1waj s SER 783 Cb -0.04 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 1waj s SER 783 CO -0.01 -1.39 -0.25 -0.94 0.98 0.00 0.00 173.24 171.63 1waj s SER 784 N -3.15 3.04 -0.56 7.02 1.04 -1.26 0.45 113.70 120.28 1waj s SER 784 Ca 0.25 -0.54 -0.26 0.00 0.48 0.00 0.00 55.95 55.87 1waj s SER 784 Cb -0.02 -0.29 0.03 0.00 0.10 0.00 0.00 66.02 65.84 1waj s SER 784 CO 0.16 0.27 1.07 0.00 0.98 0.00 0.00 173.24 175.71 1waj s ALA 785 N -0.74 3.09 -0.21 5.32 0.00 -1.26 -4.83 121.76 123.13 1waj s ALA 785 Ca 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1waj s ALA 785 Cb -0.10 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1waj s ALA 785 CO 0.01 -2.49 0.65 0.09 0.00 0.00 0.00 175.76 174.02 1waj n ASN 786 N 7.93 1.87 0.00 0.00 3.02 -1.26 -2.41 115.26 124.41 1waj n ASN 786 Ca 0.06 -1.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1waj n ASN 786 Cb 0.48 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1waj n ASN 786 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1waj n ASN 787 N 0.53 -2.69 0.00 6.41 5.15 -1.26 -4.69 115.26 118.71 1waj n ASN 787 Ca 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.01 1waj n ASN 787 Cb 0.32 -2.69 0.20 0.00 -0.53 0.00 0.00 39.78 37.09 1waj n ASN 787 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1waj n ILE 788 N -1.71 0.00 -0.34 -1.44 5.41 -1.26 -1.83 119.36 118.19 1waj n ILE 788 Ca 0.00 0.00 0.20 0.00 1.00 0.00 0.00 62.75 63.95 1waj n ILE 788 Cb 0.22 -0.58 0.42 0.00 -0.71 0.00 0.00 39.64 38.98 1waj n ILE 788 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1waj h ALA 789 N 2.31 1.84 0.07 -1.39 0.00 -1.93 -0.70 119.26 119.46 1waj h ALA 789 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1waj h ALA 789 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1waj h ALA 789 CO 0.00 -0.38 -0.24 0.87 0.00 0.00 0.00 179.25 179.49 1waj h LYS 790 N 0.48 -0.34 -0.43 0.00 1.57 -1.77 -2.85 116.57 113.22 1waj h LYS 790 Ca 0.68 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.60 1waj h LYS 790 Cb 1.38 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 1waj h LYS 790 CO -0.53 -0.23 0.53 2.48 -0.57 0.00 0.00 179.45 181.13 1waj n TYR 791 N -3.84 0.00 -0.01 -1.35 0.18 -0.27 -1.78 117.16 110.09 1waj n TYR 791 Ca -0.04 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.70 1waj n TYR 791 Cb 0.19 -0.11 -0.01 0.00 -0.38 0.00 0.00 39.34 39.03 1waj n TYR 791 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1waj n ASP 792 N -2.10 1.46 0.00 9.48 -0.08 -1.09 -4.99 116.55 119.23 1waj n ASP 792 Ca 0.10 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 1waj n ASP 792 Cb 0.66 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1waj n ASP 792 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1waj n VAL 793 N -3.89 0.00 -0.55 5.18 0.31 -0.74 -4.64 118.33 114.00 1waj n VAL 793 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.26 1waj n VAL 793 Cb 0.21 0.00 0.27 0.00 -0.91 0.00 0.00 33.84 33.41 1waj n VAL 793 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1waj n GLY 794 N 0.00 3.01 4.17 2.92 0.00 -1.26 -4.82 105.19 109.21 1waj n GLY 794 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1waj n GLY 794 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1waj n GLY 795 N 0.14 2.03 0.67 -0.02 0.00 -1.26 -4.73 105.19 102.02 1waj n GLY 795 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 1waj n GLY 795 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1waj n PHE 796 N 0.00 0.17 0.00 1.61 3.01 -1.26 -4.87 117.46 116.12 1waj n PHE 796 Ca 0.00 -0.48 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1waj n PHE 796 Cb 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 1waj n PHE 796 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1waj n PRO 797 N -0.22 3.30 0.00 -1.08 -0.04 -1.26 -4.50 135.00 131.20 1waj n PRO 797 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1waj n PRO 797 Cb 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 1waj n PRO 797 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1waj n GLY 798 N 2.07 2.60 0.00 0.55 0.00 -1.26 -4.09 105.19 105.07 1waj n GLY 798 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1waj n GLY 798 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1waj n PRO 799 N 0.00 0.00 -0.95 1.61 -0.04 -1.26 -3.93 135.00 130.43 1waj n PRO 799 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1waj n PRO 799 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1waj n PRO 799 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1waj n LYS 800 N 0.00 0.00 -2.21 0.54 5.02 -1.26 -5.01 118.16 115.25 1waj n LYS 800 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1waj n LYS 800 Cb 0.00 -2.55 -0.02 0.00 -0.02 0.00 0.00 35.03 32.44 1waj n LYS 800 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1waj s PRO 802 N 4.35 3.53 0.33 0.00 0.02 -1.26 -4.77 135.00 137.19 1waj s PRO 802 Ca 0.66 1.98 0.11 0.00 0.02 0.00 0.00 61.00 63.77 1waj s PRO 802 Cb -0.24 -2.37 1.00 0.00 0.02 0.00 0.00 34.50 32.92 1waj s PRO 802 CO 0.26 -0.80 1.63 0.35 -0.33 0.00 0.00 177.00 178.12 1waj h PHE 803 N 1.86 0.66 0.00 6.54 3.57 -1.99 -0.79 116.94 126.78 1waj h PHE 803 Ca -0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1waj h PHE 803 Cb 1.27 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1waj h PHE 803 CO 0.50 -0.27 0.00 0.72 -2.23 0.00 0.00 178.31 177.03 1waj n HIS 804 N -5.18 0.00 0.15 0.41 8.25 -1.26 -2.06 115.22 115.52 1waj n HIS 804 Ca 0.29 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.94 1waj n HIS 804 Cb 0.94 -0.24 0.78 0.00 1.12 0.00 0.00 29.99 32.60 1waj n HIS 804 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1waj h ILE 805 N 0.00 0.44 0.00 1.59 2.04 -1.78 -1.36 117.51 118.44 1waj h ILE 805 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1waj h ILE 805 Cb 0.00 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1waj h ILE 805 CO 0.00 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.95 1waj h ARG 806 N 0.00 -0.18 -0.10 2.37 9.65 -0.58 -2.47 114.38 123.08 1waj h ARG 806 Ca 0.14 0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.93 1waj h ARG 806 Cb 0.77 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1waj h ARG 806 CO -0.00 -0.12 -0.40 0.78 2.80 0.00 0.00 179.97 183.03 1waj h GLY 807 N -0.19 0.22 0.98 2.80 0.00 -0.82 -3.11 103.07 102.95 1waj h GLY 807 Ca 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1waj h GLY 807 CO -0.11 0.19 -0.05 -2.22 0.00 0.00 0.00 176.54 174.35 1waj h ILE 808 N 0.17 0.92 -0.63 2.60 2.04 -1.34 -1.98 117.51 119.29 1waj h ILE 808 Ca 0.02 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1waj h ILE 808 Cb 0.78 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1waj h ILE 808 CO 0.06 0.01 0.36 0.25 0.00 0.00 0.00 178.15 178.83 1waj h LEU 809 N -0.16 0.55 -2.26 1.44 6.46 -1.40 0.08 115.31 120.02 1waj h LEU 809 Ca -0.01 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1waj h LEU 809 Cb 0.12 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1waj h LEU 809 CO 0.02 0.37 -0.05 0.00 -0.62 0.00 0.00 178.44 178.17 1waj h THR 810 N 0.68 0.56 0.27 1.05 1.03 -1.48 0.31 112.91 115.34 1waj h THR 810 Ca 0.27 -0.20 -0.01 0.00 -0.01 0.00 0.00 66.41 66.46 1waj h THR 810 Cb 0.12 1.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1waj h THR 810 CO -0.15 0.05 -0.13 0.22 -0.01 0.00 0.00 175.52 175.49 1waj h TYR 811 N 0.00 -0.34 -0.89 0.00 3.20 -0.23 -2.79 116.97 115.93 1waj h TYR 811 Ca -0.00 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.08 1waj h TYR 811 Cb 0.12 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1waj h TYR 811 CO 0.00 -0.21 0.60 -0.91 -1.64 0.00 0.00 178.16 176.00 1waj h ASN 812 N -0.76 0.29 0.42 -2.11 2.35 -1.03 0.36 115.58 115.09 1waj h ASN 812 Ca -0.04 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1waj h ASN 812 Cb 0.28 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1waj h ASN 812 CO 0.06 0.11 -0.20 0.03 -1.65 0.00 0.00 177.43 175.78 1waj h ARG 813 N 0.28 -0.54 0.00 0.81 3.08 -0.99 -2.50 114.38 114.52 1waj h ARG 813 Ca 0.46 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1waj h ARG 813 Cb 1.32 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1waj h ARG 813 CO -0.13 -0.33 0.00 0.00 -1.07 0.00 0.00 179.97 178.44 1waj h ALA 814 N -0.06 1.00 0.00 0.04 0.00 -0.70 -2.89 119.26 116.66 1waj h ALA 814 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1waj h ALA 814 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1waj h ALA 814 CO 0.09 0.00 -0.01 0.97 0.00 0.00 0.00 179.25 180.30 1waj h ILE 815 N 0.00 0.04 -0.53 0.00 6.09 0.07 -3.33 117.51 119.84 1waj h ILE 815 Ca 0.00 -0.45 0.18 0.00 -1.37 0.00 0.00 64.86 63.21 1waj h ILE 815 Cb 0.59 1.43 -0.10 0.00 0.47 0.00 0.00 36.82 39.21 1waj h ILE 815 CO 0.00 0.01 0.12 0.29 -3.07 0.00 0.00 178.15 175.50 1waj n LYS 816 N -3.12 -0.04 -1.44 2.19 5.02 -1.09 -0.11 118.16 119.57 1waj n LYS 816 Ca -0.00 0.77 -0.30 0.00 -2.02 0.00 0.00 58.31 56.76 1waj n LYS 816 Cb 0.27 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 1waj n LYS 816 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1waj n GLY 817 N -1.22 4.21 0.00 0.72 0.00 -1.25 -4.82 105.19 102.82 1waj n GLY 817 Ca 0.16 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1waj n GLY 817 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1waj n ASN 818 N 2.34 0.00 0.00 1.61 3.02 0.84 -4.92 115.26 118.15 1waj n ASN 818 Ca 0.60 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 1waj n ASN 818 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1waj n ASN 818 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1waj n ILE 819 N -0.62 0.00 0.00 2.41 5.41 -1.26 -4.03 119.36 121.26 1waj n ILE 819 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1waj n ILE 819 Cb 0.00 -0.02 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1waj n ILE 819 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1waj n ASP 820 N 0.08 0.00 0.01 4.38 8.00 -1.26 -4.73 116.55 123.03 1waj n ASP 820 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 1waj n ASP 820 Cb 0.00 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 41.63 1waj n ASP 820 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1waj h ALA 821 N 0.00 1.99 -2.03 2.24 0.00 -1.99 -3.41 119.26 116.07 1waj h ALA 821 Ca 0.00 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 1waj h ALA 821 Cb 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1waj h ALA 821 CO 0.00 -0.08 0.99 -1.25 0.00 0.00 0.00 179.25 178.91 1waj s PRO 822 N -5.32 3.99 -0.23 0.00 0.04 -1.26 -4.93 135.00 127.29 1waj s PRO 822 Ca -0.07 1.46 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1waj s PRO 822 Cb 0.19 -3.88 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 1waj s PRO 822 CO 0.73 -1.03 1.33 -1.14 0.04 0.00 0.00 177.00 176.93 1waj s GLN 823 N 4.08 4.03 0.41 4.56 0.74 -1.26 -4.96 119.66 127.26 1waj s GLN 823 Ca 0.59 1.48 -0.26 0.00 0.05 0.00 0.00 55.36 57.22 1waj s GLN 823 Cb -0.20 -3.86 -0.10 0.00 1.10 0.00 0.00 33.01 29.95 1waj s GLN 823 CO 0.22 -0.97 1.31 0.28 -0.55 0.00 0.00 175.29 175.58 1waj n VAL 824 N 5.89 2.46 -3.04 1.34 0.31 -1.26 -4.84 118.33 119.19 1waj n VAL 824 Ca 0.15 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.57 1waj n VAL 824 Cb 0.46 -1.63 -0.05 0.00 -0.91 0.00 0.00 33.84 31.70 1waj n VAL 824 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1waj s VAL 825 N -1.18 4.97 -0.16 2.52 1.01 -1.26 -4.33 120.40 121.98 1waj s VAL 825 Ca 0.60 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 1waj s VAL 825 Cb -0.51 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 31.91 1waj s VAL 825 CO 0.59 0.07 -0.02 -0.70 0.00 0.00 0.00 175.10 175.04 1waj s GLU 826 N 2.08 1.12 0.00 2.72 2.12 -1.26 -4.99 118.70 120.49 1waj s GLU 826 Ca 0.31 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1waj s GLU 826 Cb -0.16 -1.85 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1waj s GLU 826 CO 0.11 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 1waj n GLY 827 N 4.96 0.00 3.64 -1.50 0.00 -1.26 -4.87 105.19 106.16 1waj n GLY 827 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 1waj n GLY 827 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1waj s GLU 828 N -2.44 0.30 0.00 1.61 2.56 -1.01 -4.36 118.70 115.35 1waj s GLU 828 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 54.97 55.37 1waj s GLU 828 Cb 0.00 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.26 1waj s GLU 828 CO 0.00 -0.04 0.00 1.63 -0.56 0.00 0.00 175.26 176.29 1waj n LYS 829 N 2.40 0.00 -4.40 4.30 5.02 -1.26 -4.55 118.16 119.68 1waj n LYS 829 Ca -0.13 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 1waj n LYS 829 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.49 1waj n LYS 829 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1waj s VAL 830 N 0.00 0.45 0.00 -0.18 1.01 0.17 -2.43 120.40 119.43 1waj s VAL 830 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1waj s VAL 830 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1waj s VAL 830 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 175.10 173.88 1waj n TYR 831 N -0.70 0.00 -0.79 5.22 4.01 0.55 -2.91 117.16 122.55 1waj n TYR 831 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1waj n TYR 831 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 1waj n TYR 831 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1waj n VAL 832 N -2.49 -3.58 -3.80 -0.72 0.31 -1.19 -3.03 118.33 103.84 1waj n VAL 832 Ca 0.00 1.08 -0.12 0.00 -0.01 0.00 0.00 64.34 65.28 1waj n VAL 832 Cb 0.00 -2.24 -0.11 0.00 -0.91 0.00 0.00 33.84 30.58 1waj n VAL 832 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1waj s LEU 833 N -1.14 1.17 0.00 7.52 1.43 0.21 -3.13 118.68 124.75 1waj s LEU 833 Ca 0.00 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1waj s LEU 833 Cb 0.00 0.79 0.00 0.00 0.03 0.00 0.00 46.19 47.01 1waj s LEU 833 CO 0.00 -0.14 0.43 -2.65 0.23 0.00 0.00 176.35 174.22 1waj n PRO 834 N 2.67 0.00 -0.81 1.29 -0.02 -1.26 -1.71 135.00 135.16 1waj n PRO 834 Ca -0.14 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1waj n PRO 834 Cb 0.58 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 1waj n PRO 834 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1waj n LEU 835 N -1.30 -1.50 -4.36 2.45 7.99 -1.24 -2.42 117.00 116.62 1waj n LEU 835 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.71 1waj n LEU 835 Cb 0.00 -0.75 0.28 0.00 -0.11 0.00 0.00 43.42 42.84 1waj n LEU 835 CO 0.00 0.00 0.44 -0.13 -1.51 0.00 0.00 177.39 176.19 1waj s ARG 836 N -1.60 -2.16 0.29 3.23 0.52 0.18 -4.62 118.95 114.79 1waj s ARG 836 Ca 0.00 0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 55.45 1waj s ARG 836 Cb 0.00 -1.43 -0.10 0.00 0.52 0.00 0.00 34.95 33.94 1waj s ARG 836 CO 0.00 -4.47 1.16 -2.00 0.02 0.00 0.00 175.30 170.01 1waj s GLU 837 N -4.67 4.56 -0.04 3.54 2.56 -1.26 -3.63 118.70 119.77 1waj s GLU 837 Ca 0.69 1.91 0.00 0.00 0.00 0.00 0.00 54.97 57.57 1waj s GLU 837 Cb -0.20 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.76 1waj s GLU 837 CO 0.62 0.10 0.00 0.41 -0.56 0.00 0.00 175.26 175.83 1waj n GLY 838 N 1.14 0.45 3.77 -1.50 0.00 -1.26 -5.01 105.19 102.78 1waj n GLY 838 Ca -0.01 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1waj n GLY 838 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1waj s ASN 839 N -2.55 6.78 0.00 1.61 2.20 -1.24 -4.90 114.94 116.84 1waj s ASN 839 Ca 0.00 2.55 0.05 0.00 -0.94 0.00 0.00 52.86 54.51 1waj s ASN 839 Cb 0.00 -2.64 0.28 0.00 -2.00 0.00 0.00 41.25 36.89 1waj s ASN 839 CO 0.00 -0.51 0.65 -0.81 -2.94 0.00 0.00 177.10 173.49 1waj n PRO 840 N 0.69 0.26 0.02 3.55 -0.04 -1.26 -2.98 135.00 135.24 1waj n PRO 840 Ca 0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1waj n PRO 840 Cb 0.43 -1.28 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 1waj n PRO 840 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1waj n PHE 841 N -0.78 0.25 0.00 0.54 3.01 -1.26 -5.09 117.46 114.13 1waj n PHE 841 Ca 0.04 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1waj n PHE 841 Cb 0.02 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 1waj n PHE 841 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1waj n GLY 842 N 1.32 -1.15 7.00 1.37 0.00 -1.16 -4.94 105.19 107.62 1waj n GLY 842 Ca -0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1waj n GLY 842 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1waj n ASP 843 N -1.85 -4.87 -2.71 1.61 9.92 -1.26 -4.63 116.55 112.76 1waj n ASP 843 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.21 1waj n ASP 843 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1waj n ASP 843 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1waj n LYS 844 N -1.26 1.32 0.00 -1.24 5.02 -1.26 -4.86 118.16 115.88 1waj n LYS 844 Ca 0.00 -2.52 0.00 0.00 -2.02 0.00 0.00 58.31 53.77 1waj n LYS 844 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 1waj n LYS 844 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1waj s ILE 846 N -1.52 1.35 -0.00 0.00 1.01 -0.70 -4.01 121.20 117.34 1waj s ILE 846 Ca 0.00 -2.09 -0.17 0.00 0.00 0.00 0.00 60.65 58.39 1waj s ILE 846 Cb 0.00 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.27 1waj s ILE 846 CO 0.00 -0.44 0.36 0.00 0.00 0.00 0.00 174.94 174.86 1waj s ALA 847 N -3.21 -0.90 0.25 9.38 0.00 -1.20 0.66 121.76 126.73 1waj s ALA 847 Ca 0.25 0.38 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 1waj s ALA 847 Cb 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 1waj s ALA 847 CO 0.08 -0.32 0.43 1.67 0.00 0.00 0.00 175.76 177.61 1waj s TRP 848 N -1.66 0.54 0.19 0.00 -2.14 -1.26 -4.56 118.94 110.04 1waj s TRP 848 Ca -0.11 -0.87 -0.32 0.00 2.66 0.00 0.00 56.10 57.45 1waj s TRP 848 Cb -0.03 0.06 -0.15 0.00 -3.10 0.00 0.00 33.47 30.24 1waj s TRP 848 CO 0.03 -0.96 1.24 -2.30 -2.66 0.00 0.00 176.95 172.31 1waj n PRO 849 N -0.38 1.42 -2.22 3.25 -0.02 -1.26 -0.33 135.00 135.46 1waj n PRO 849 Ca -0.01 0.51 -0.35 0.00 -2.02 0.00 0.00 63.50 61.62 1waj n PRO 849 Cb 0.62 -2.06 0.01 0.00 -0.02 0.00 0.00 33.50 32.06 1waj n PRO 849 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1waj s SER 850 N 0.11 5.65 -1.71 2.55 1.04 -1.02 -3.10 113.70 117.22 1waj s SER 850 Ca 0.72 2.22 0.00 0.00 0.48 0.00 0.00 55.95 59.37 1waj s SER 850 Cb -0.80 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.74 1waj s SER 850 CO 0.51 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1waj n GLY 851 N 0.23 1.54 3.18 7.32 0.00 -1.26 -5.00 105.19 111.19 1waj n GLY 851 Ca 0.12 -0.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1waj n GLY 851 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1waj s THR 852 N -2.61 1.09 0.67 2.61 -4.23 -1.18 -4.81 115.64 107.18 1waj s THR 852 Ca 0.00 -1.42 -0.10 0.00 -1.18 0.00 0.00 61.69 58.99 1waj s THR 852 Cb 0.00 -1.18 0.15 0.00 1.34 0.00 0.00 72.50 72.82 1waj s THR 852 CO 0.00 -0.32 0.91 -0.62 -0.54 0.00 0.00 174.62 174.05 1waj n GLU 853 N 1.04 -0.79 -4.58 3.99 -0.58 -1.26 -4.92 120.64 113.54 1waj n GLU 853 Ca -0.19 -1.52 -0.34 0.00 -0.42 0.00 0.00 57.16 54.69 1waj n GLU 853 Cb 0.55 -0.90 -0.12 0.00 -0.57 0.00 0.00 31.44 30.40 1waj n GLU 853 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1waj s ILE 854 N -2.94 3.64 -0.31 -3.67 1.01 -1.26 -4.97 121.20 112.71 1waj s ILE 854 Ca 0.53 -0.47 -0.38 0.00 0.00 0.00 0.00 60.65 60.32 1waj s ILE 854 Cb -0.02 -2.53 -0.14 0.00 0.01 0.00 0.00 42.46 39.78 1waj s ILE 854 CO 0.37 0.55 1.96 0.35 0.00 0.00 0.00 174.94 178.17 1waj n THR 855 N 2.90 0.26 -0.67 2.92 -2.24 -1.26 -4.51 114.28 111.68 1waj n THR 855 Ca -0.18 -0.13 0.51 0.00 -2.27 0.00 0.00 64.05 61.98 1waj n THR 855 Cb 0.53 -1.39 0.79 0.00 -2.10 0.00 0.00 70.33 68.16 1waj n THR 855 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1waj n ASP 856 N 7.38 0.00 0.20 3.42 8.00 -1.26 -1.23 116.55 133.07 1waj n ASP 856 Ca 0.34 0.97 0.18 0.00 0.71 0.00 0.00 54.79 56.99 1waj n ASP 856 Cb 0.17 -0.47 0.83 0.00 -0.02 0.00 0.00 41.12 41.62 1waj n ASP 856 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1waj h LEU 857 N 0.00 0.00 0.00 0.64 -0.00 -1.99 -3.22 115.31 110.73 1waj h LEU 857 Ca 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.78 1waj h LEU 857 Cb 3.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 44.35 1waj h LEU 857 CO -0.01 0.00 -0.45 2.30 -0.00 0.00 0.00 178.44 180.28 1waj n ILE 858 N -3.56 0.00 -0.18 0.15 -5.35 -0.36 -4.91 119.36 105.15 1waj n ILE 858 Ca 0.02 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.47 1waj n ILE 858 Cb 0.41 -0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 37.84 1waj n ILE 858 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1waj n LYS 859 N -1.23 -0.17 0.08 6.28 0.00 -0.91 0.88 118.16 123.09 1waj n LYS 859 Ca 0.00 0.66 0.03 0.00 0.00 0.00 0.00 58.31 59.00 1waj n LYS 859 Cb 0.23 -0.97 0.43 0.00 0.00 0.00 0.00 35.03 34.72 1waj n LYS 859 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1waj h ASP 860 N 0.00 0.31 0.42 3.14 5.19 -1.89 -1.88 116.42 121.72 1waj h ASP 860 Ca 0.09 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 1waj h ASP 860 Cb 0.20 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1waj h ASP 860 CO -0.41 0.33 -0.20 0.44 -3.12 0.00 0.00 179.24 176.28 1waj h ASP 861 N 0.34 -0.48 -0.25 6.45 3.32 0.15 -1.55 116.42 124.42 1waj h ASP 861 Ca 0.08 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1waj h ASP 861 Cb 0.16 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1waj h ASP 861 CO -0.00 -0.19 -0.22 0.58 -1.72 0.00 0.00 179.24 177.68 1waj h VAL 862 N -0.76 0.00 -0.95 -1.35 2.07 -0.86 0.16 116.25 114.56 1waj h VAL 862 Ca -0.06 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.73 1waj h VAL 862 Cb 0.53 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.16 1waj h VAL 862 CO 0.09 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 178.05 1waj h LEU 863 N -0.10 0.34 -0.19 2.57 3.38 -1.33 0.51 115.31 120.49 1waj h LEU 863 Ca 0.04 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1waj h LEU 863 Cb 0.21 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1waj h LEU 863 CO -0.28 -0.09 0.06 -0.74 0.09 0.00 0.00 178.44 177.48 1waj h HIS 864 N 0.33 0.11 -0.34 1.13 2.76 0.31 -2.55 115.15 116.90 1waj h HIS 864 Ca 0.64 0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.65 1waj h HIS 864 Cb 1.35 -0.02 -0.10 0.00 1.55 0.00 0.00 27.41 30.18 1waj h HIS 864 CO -0.11 0.05 0.22 0.91 -1.30 0.00 0.00 177.93 177.70 1waj n TRP 865 N -5.05 1.06 -2.61 5.26 7.02 0.18 -4.94 117.44 118.36 1waj n TRP 865 Ca -0.03 -0.93 -0.40 0.00 -1.02 0.00 0.00 57.50 55.12 1waj n TRP 865 Cb 0.07 -0.48 -0.05 0.00 -2.42 0.00 0.00 31.31 28.43 1waj n TRP 865 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1waj s MET 866 N -1.20 4.74 -0.76 -0.99 -1.94 -0.96 -0.65 119.30 117.54 1waj s MET 866 Ca 0.20 1.64 -0.15 0.00 -1.71 0.00 0.00 55.69 55.67 1waj s MET 866 Cb 0.17 -3.24 0.18 0.00 2.01 0.00 0.00 34.83 33.95 1waj s MET 866 CO 0.04 0.35 0.76 0.34 -0.01 0.00 0.00 175.02 176.50 1waj s ASP 867 N -0.97 6.59 0.08 3.03 -1.08 -1.26 -4.31 116.67 118.75 1waj s ASP 867 Ca 0.43 -2.33 -0.26 0.00 -0.52 0.00 0.00 52.55 49.87 1waj s ASP 867 Cb -0.29 -2.24 -0.16 0.00 -1.46 0.00 0.00 42.92 38.77 1waj s ASP 867 CO 0.36 -0.74 1.68 1.88 0.52 0.00 0.00 175.17 178.87 1waj h TYR 868 N 8.24 -0.23 0.16 -5.34 0.05 -1.98 -1.95 116.97 115.92 1waj h TYR 868 Ca -0.00 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.78 1waj h TYR 868 Cb 1.05 0.08 -0.02 0.00 1.01 0.00 0.00 36.73 38.85 1waj h TYR 868 CO 0.98 -0.12 -0.21 1.79 -1.05 0.00 0.00 178.16 179.55 1waj h THR 869 N -0.28 0.54 -0.57 -2.88 1.35 -1.99 0.23 112.91 109.31 1waj h THR 869 Ca -0.03 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.93 1waj h THR 869 Cb 0.21 0.54 -0.08 0.00 -1.73 0.00 0.00 68.15 67.10 1waj h THR 869 CO 0.04 0.00 0.15 0.58 -0.25 0.00 0.00 175.52 176.04 1waj h VAL 870 N -0.42 0.70 0.09 6.82 2.07 -1.98 -0.50 116.25 123.03 1waj h VAL 870 Ca 0.01 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1waj h VAL 870 Cb 0.41 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1waj h VAL 870 CO -0.08 0.05 -0.10 0.25 0.02 0.00 0.00 177.57 177.71 1waj h LEU 871 N 0.29 -0.28 -0.90 2.57 6.46 -0.75 -1.21 115.31 121.48 1waj h LEU 871 Ca 0.29 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 58.21 1waj h LEU 871 Cb 0.41 0.09 -0.14 0.00 -0.73 0.00 0.00 40.66 40.29 1waj h LEU 871 CO -0.36 -0.13 -0.37 -0.11 -0.62 0.00 0.00 178.44 176.85 1waj n LEU 872 N -2.92 -0.62 0.40 2.25 0.00 0.75 -1.03 117.00 115.82 1waj n LEU 872 Ca -0.02 1.58 -0.18 0.00 0.00 0.00 0.00 56.01 57.39 1waj n LEU 872 Cb 0.09 -0.35 -0.09 0.00 0.00 0.00 0.00 43.42 43.08 1waj n LEU 872 CO 0.05 -1.41 0.56 -0.33 0.00 0.00 0.00 177.39 176.27 1waj h GLU 873 N 0.00 -0.96 -0.40 1.96 5.08 -0.94 0.38 114.58 119.70 1waj h GLU 873 Ca 0.30 0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1waj h GLU 873 Cb 0.52 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1waj h GLU 873 CO -0.89 -0.62 0.13 -0.22 -1.00 0.00 0.00 179.01 176.41 1waj h LYS 874 N -1.08 0.57 0.11 2.33 3.64 -0.67 -1.48 116.57 119.99 1waj h LYS 874 Ca -0.10 -0.08 -0.34 0.00 -1.27 0.00 0.00 60.65 58.86 1waj h LYS 874 Cb 0.78 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1waj h LYS 874 CO 0.17 0.50 -1.85 1.79 -2.27 0.00 0.00 179.45 177.79 1waj h THR 875 N 0.57 0.78 0.00 1.00 1.35 -1.03 -3.41 112.91 112.16 1waj h THR 875 Ca 0.14 -2.50 -0.14 0.00 -0.55 0.00 0.00 66.41 63.36 1waj h THR 875 Cb 0.16 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 1waj h THR 875 CO -0.01 0.80 -1.26 0.33 -0.25 0.00 0.00 175.52 175.13 1waj n PHE 876 N -3.40 0.00 -0.07 4.73 7.35 0.13 -4.63 117.46 121.57 1waj n PHE 876 Ca -0.26 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.32 1waj n PHE 876 Cb 1.05 -0.44 -0.05 0.00 0.35 0.00 0.00 39.48 40.39 1waj n PHE 876 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1waj h ILE 877 N -0.59 1.24 0.02 -2.13 2.04 -1.36 -2.67 117.51 114.07 1waj h ILE 877 Ca -0.21 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 64.86 1waj h ILE 877 Cb 0.98 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 1waj h ILE 877 CO -0.13 0.25 -0.40 0.50 0.00 0.00 0.00 178.15 178.38 1waj h LYS 878 N 0.14 -0.55 -0.16 2.37 3.64 -1.50 0.69 116.57 121.19 1waj h LYS 878 Ca 0.06 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1waj h LYS 878 Cb 0.36 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1waj h LYS 878 CO 0.01 -0.37 -0.02 -1.00 -2.27 0.00 0.00 179.45 175.80 1waj h PRO 879 N -0.57 0.23 0.68 1.90 0.13 -1.81 -2.31 132.00 130.25 1waj h PRO 879 Ca 0.05 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.11 1waj h PRO 879 Cb 0.64 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.73 1waj h PRO 879 CO -0.29 0.28 -0.33 1.25 -0.23 0.00 0.00 178.00 178.68 1waj h LEU 880 N 0.23 -0.78 -0.93 1.56 6.46 -0.69 -2.74 115.31 118.42 1waj h LEU 880 Ca 0.05 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.00 1waj h LEU 880 Cb 0.20 0.20 -0.17 0.00 -0.73 0.00 0.00 40.66 40.16 1waj h LEU 880 CO 0.01 -0.51 -0.25 -0.08 -0.62 0.00 0.00 178.44 176.99 1waj h GLU 881 N -1.00 -0.00 -0.71 1.25 4.57 0.73 0.35 114.58 119.77 1waj h GLU 881 Ca -0.09 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.22 1waj h GLU 881 Cb 0.73 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.18 1waj h GLU 881 CO 0.15 -0.00 -0.26 0.78 -1.18 0.00 0.00 179.01 178.51 1waj h GLY 882 N -0.00 0.27 0.79 1.92 0.00 -1.13 0.09 103.07 105.01 1waj h GLY 882 Ca 0.44 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 48.07 1waj h GLY 882 CO -0.96 -0.25 -0.27 0.74 0.00 0.00 0.00 176.54 175.80 1waj h PHE 883 N -0.06 -0.71 -0.87 5.60 0.04 -0.17 -3.05 116.94 117.71 1waj h PHE 883 Ca 0.31 -0.02 0.16 0.00 2.80 0.00 0.00 57.97 61.23 1waj h PHE 883 Cb 0.55 0.24 -0.10 0.00 2.20 0.00 0.00 35.95 38.84 1waj h PHE 883 CO -0.63 -0.38 0.45 1.79 -0.60 0.00 0.00 178.31 178.94 1waj h THR 884 N -0.99 0.70 0.07 -1.55 1.35 -0.95 -1.31 112.91 110.23 1waj h THR 884 Ca -0.08 -0.21 0.02 0.00 -0.55 0.00 0.00 66.41 65.59 1waj h THR 884 Cb 0.65 0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 1waj h THR 884 CO 0.13 0.11 -0.19 0.28 -0.25 0.00 0.00 175.52 175.60 1waj h SER 885 N 0.61 -0.54 -0.96 5.36 0.02 -0.98 -0.64 113.55 116.41 1waj h SER 885 Ca 0.49 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.56 1waj h SER 885 Cb 0.73 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.42 1waj h SER 885 CO -0.38 -0.27 0.62 0.00 -1.14 0.00 0.00 176.83 175.66 1waj h ALA 886 N 0.50 1.31 -0.32 3.77 0.00 -1.17 -1.46 119.26 121.89 1waj h ALA 886 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1waj h ALA 886 Cb 0.39 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1waj h ALA 886 CO -0.13 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1waj n ALA 887 N -2.36 2.58 -3.89 0.00 0.00 -0.64 -3.12 120.51 113.08 1waj n ALA 887 Ca 0.14 -0.64 -0.29 0.00 0.00 0.00 0.00 53.44 52.65 1waj n ALA 887 Cb 0.15 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.64 1waj n ALA 887 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1waj n LYS 888 N 0.45 -5.32 -4.58 0.00 4.76 -0.55 -4.71 118.16 108.21 1waj n LYS 888 Ca 0.11 0.59 -0.27 0.00 -2.87 0.00 0.00 58.31 55.88 1waj n LYS 888 Cb 0.36 -5.40 -0.11 0.00 -1.84 0.00 0.00 35.03 28.04 1waj n LYS 888 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1waj s LEU 889 N -7.17 2.74 -0.06 -0.35 1.43 -0.34 -5.05 118.68 109.89 1waj s LEU 889 Ca 0.53 -1.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 1waj s LEU 889 Cb -0.27 -0.82 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1waj s LEU 889 CO 0.83 -0.45 -0.14 -1.81 0.23 0.00 0.00 176.35 175.01 1waj s ASP 890 N -3.66 1.89 0.00 2.29 1.01 -1.26 -4.47 116.67 112.47 1waj s ASP 890 Ca 0.35 -0.32 0.25 0.00 0.71 0.00 0.00 52.55 53.54 1waj s ASP 890 Cb 0.09 -0.77 0.44 0.00 1.01 0.00 0.00 42.92 43.69 1waj s ASP 890 CO 0.17 0.07 1.40 0.00 0.21 0.00 0.00 175.17 177.02 1waj n TYR 891 N 3.60 0.07 -3.75 4.23 0.18 -1.26 -4.76 117.16 115.46 1waj n TYR 891 Ca -0.21 -0.03 -0.27 0.00 1.88 0.00 0.00 57.90 59.27 1waj n TYR 891 Cb 0.52 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 39.32 1waj n TYR 891 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1waj s GLU 892 N -1.93 0.69 0.04 -3.48 2.12 -1.26 -4.53 118.70 110.34 1waj s GLU 892 Ca 0.32 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 1waj s GLU 892 Cb 0.20 -1.91 -0.09 0.00 0.26 0.00 0.00 34.13 32.60 1waj s GLU 892 CO 0.31 -0.57 1.89 0.21 -0.54 0.00 0.00 175.26 176.55 1waj s LYS 893 N 1.87 4.15 0.80 4.30 2.20 -1.26 -4.97 119.74 126.83 1waj s LYS 893 Ca 0.00 2.54 -0.12 0.00 -0.36 0.00 0.00 55.97 58.03 1waj s LYS 893 Cb -0.16 -4.02 0.07 0.00 -1.51 0.00 0.00 37.83 32.21 1waj s LYS 893 CO -0.07 -0.91 1.12 0.15 -0.36 0.00 0.00 175.35 175.27 1waj s LYS 894 N 4.04 2.02 -0.21 4.03 1.02 -1.26 -4.91 119.74 124.47 1waj s LYS 894 Ca 0.84 0.43 -0.33 0.00 0.02 0.00 0.00 55.97 56.94 1waj s LYS 894 Cb -0.42 -1.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.87 1waj s LYS 894 CO 0.39 -1.62 2.08 0.00 -0.92 0.00 0.00 175.35 175.28 1waj n ALA 895 N -3.39 1.21 -2.61 5.17 0.00 -1.26 -4.97 120.51 114.66 1waj n ALA 895 Ca 0.07 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 1waj n ALA 895 Cb 0.58 -2.64 -0.06 0.00 0.00 0.00 0.00 19.45 17.33 1waj n ALA 895 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1waj s SER 896 N 6.34 6.69 0.61 0.00 0.15 -1.26 -4.96 113.70 121.27 1waj s SER 896 Ca 1.00 0.82 0.34 0.00 0.70 0.00 0.00 55.95 58.82 1waj s SER 896 Cb -0.64 -2.21 2.01 0.00 -1.71 0.00 0.00 66.02 63.46 1waj s SER 896 CO 0.46 0.29 2.29 -0.07 1.20 0.00 0.00 173.24 177.41 1waj h LEU 897 N 5.12 0.00 0.00 3.45 4.07 -2.06 -2.01 115.31 123.88 1waj h LEU 897 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1waj h LEU 897 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1waj h LEU 897 CO 0.63 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 178.48 1waj n PHE 898 N -3.62 0.00 -1.51 1.13 3.01 -1.26 -4.64 117.46 110.58 1waj n PHE 898 Ca -0.03 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.13 1waj n PHE 898 Cb 0.08 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 39.78 1waj n PHE 898 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1waj n ASP 899 N -0.99 -0.95 0.00 4.37 8.00 -0.76 -3.36 116.55 122.87 1waj n ASP 899 Ca 0.09 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1waj n ASP 899 Cb 0.04 -1.02 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1waj n ASP 899 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1waj n MET 900 N -4.32 0.00 -3.90 -1.24 2.81 -1.26 -4.93 117.12 104.28 1waj n MET 900 Ca 0.16 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.73 1waj n MET 900 Cb 0.59 -2.25 -0.04 0.00 -0.71 0.00 0.00 33.22 30.80 1waj n MET 900 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1waj s PHE 901 N -0.95 3.53 -0.70 2.03 0.08 -1.21 -5.07 117.98 115.69 1waj s PHE 901 Ca 0.00 0.32 -0.06 0.00 0.12 0.00 0.00 56.93 57.31 1waj s PHE 901 Cb 0.00 -1.81 0.18 0.00 -0.57 0.00 0.00 43.02 40.82 1waj s PHE 901 CO 0.00 0.61 0.55 -0.51 -0.10 0.00 0.00 175.22 175.77 1waj s ASP 902 N -2.24 5.69 0.00 1.36 1.11 -1.26 -5.10 116.67 116.23 1waj s ASP 902 Ca 0.32 -2.87 0.28 0.00 0.18 0.00 0.00 52.55 50.46 1waj s ASP 902 Cb -0.13 -1.96 1.08 0.00 1.07 0.00 0.00 42.92 42.99 1waj s ASP 902 CO 0.24 -0.41 1.76 0.49 1.18 0.00 0.00 175.17 178.43