#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waf s LYS 2 N 0.00 3.31 1.13 2.12 1.02 -1.26 -4.05 119.74 122.01 1waf s LYS 2 Ca 0.00 1.01 -0.18 0.00 0.02 0.00 0.00 55.97 56.82 1waf s LYS 2 Cb 0.00 -4.16 0.14 0.00 -0.52 0.00 0.00 37.83 33.30 1waf s LYS 2 CO 0.00 -1.89 0.14 -0.85 -0.92 0.00 0.00 175.35 171.83 1waf n GLU 3 N 8.45 -1.97 -3.60 1.68 0.28 -1.26 -4.96 120.64 119.26 1waf n GLU 3 Ca 0.19 -0.57 -0.08 0.00 -0.16 0.00 0.00 57.16 56.55 1waf n GLU 3 Cb 0.48 -1.69 -0.05 0.00 1.43 0.00 0.00 31.44 31.61 1waf n GLU 3 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1waf s PHE 4 N -2.20 -0.26 1.27 -1.84 -0.71 -1.15 -5.03 117.98 108.06 1waf s PHE 4 Ca 0.54 0.45 -0.21 0.00 -1.04 0.00 0.00 56.93 56.67 1waf s PHE 4 Cb -0.11 0.46 0.32 0.00 -1.21 0.00 0.00 43.02 42.48 1waf s PHE 4 CO 0.60 -0.24 1.09 1.52 -1.34 0.00 0.00 175.22 176.85 1waf s TYR 5 N -1.06 0.01 0.00 3.49 1.13 -1.26 -1.05 117.35 118.61 1waf s TYR 5 Ca 0.02 0.40 0.00 0.00 -1.41 0.00 0.00 57.07 56.08 1waf s TYR 5 Cb -0.01 -3.42 0.00 0.00 -1.10 0.00 0.00 41.96 37.43 1waf s TYR 5 CO -0.02 -4.21 0.00 1.28 -2.51 0.00 0.00 175.55 170.09 1waf n LEU 6 N -4.98 0.00 -4.25 -3.49 4.32 0.28 -4.72 117.00 104.15 1waf n LEU 6 Ca 0.15 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.87 1waf n LEU 6 Cb 0.60 0.05 -0.15 0.00 -1.62 0.00 0.00 43.42 42.30 1waf n LEU 6 CO 0.42 -0.37 -0.53 0.42 -1.22 0.00 0.00 177.39 176.11 1waf s THR 7 N -0.74 1.73 -0.04 -5.08 -4.23 -0.86 -4.73 115.64 101.69 1waf s THR 7 Ca 0.00 -1.11 0.03 0.00 -1.18 0.00 0.00 61.69 59.42 1waf s THR 7 Cb 0.00 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.37 1waf s THR 7 CO 0.00 0.33 -0.11 0.68 -0.54 0.00 0.00 174.62 174.98 1waf s VAL 8 N -0.69 0.96 0.02 2.29 -7.23 -1.26 -0.57 120.40 113.93 1waf s VAL 8 Ca 0.08 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1waf s VAL 8 Cb -0.09 -0.87 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 1waf s VAL 8 CO 0.01 0.30 0.04 -0.70 -0.31 0.00 0.00 175.10 174.44 1waf s GLU 9 N 0.39 0.42 -0.17 4.82 2.56 -0.45 -4.96 118.70 121.31 1waf s GLU 9 Ca -0.08 -0.60 -0.00 0.00 0.00 0.00 0.00 54.97 54.29 1waf s GLU 9 Cb -0.12 0.16 0.00 0.00 2.00 0.00 0.00 34.13 36.17 1waf s GLU 9 CO 0.02 -0.09 -0.15 -1.14 -0.56 0.00 0.00 175.26 173.35 1waf s GLN 10 N -1.73 3.20 -0.01 4.30 0.74 -1.26 -1.69 119.66 123.20 1waf s GLN 10 Ca -0.13 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.54 1waf s GLN 10 Cb -0.07 -2.67 0.02 0.00 1.10 0.00 0.00 33.01 31.39 1waf s GLN 10 CO -0.01 -0.05 0.02 0.42 -0.55 0.00 0.00 175.29 175.11 1waf s ILE 11 N 0.99 -0.02 0.00 -2.34 1.01 -1.00 -5.05 121.20 114.80 1waf s ILE 11 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1waf s ILE 11 Cb -0.15 -0.06 0.00 0.00 0.01 0.00 0.00 42.46 42.26 1waf s ILE 11 CO -0.03 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1waf n GLY 12 N 3.76 1.37 1.25 6.18 0.00 -1.26 -2.50 105.19 113.99 1waf n GLY 12 Ca -0.22 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.21 1waf n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1waf n ASP 13 N 0.88 4.14 -4.13 1.61 8.00 -1.26 -4.72 116.55 121.07 1waf n ASP 13 Ca 0.00 -2.38 -0.22 0.00 0.71 0.00 0.00 54.79 52.90 1waf n ASP 13 Cb 0.00 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 40.47 1waf n ASP 13 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1waf s SER 14 N -1.09 1.72 0.51 -2.24 1.04 -1.04 -3.19 113.70 109.41 1waf s SER 14 Ca 0.43 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.47 1waf s SER 14 Cb 0.28 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1waf s SER 14 CO 0.21 0.14 0.84 -0.63 0.98 0.00 0.00 173.24 174.78 1waf s ILE 15 N -0.51 4.86 -0.04 -1.02 -1.09 0.12 -2.36 121.20 121.16 1waf s ILE 15 Ca 0.05 0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.84 1waf s ILE 15 Cb -0.06 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1waf s ILE 15 CO 0.00 -0.91 0.03 -0.36 -1.23 0.00 0.00 174.94 172.47 1waf s PHE 16 N -2.83 0.21 -0.05 3.97 0.08 -0.68 -1.41 117.98 117.27 1waf s PHE 16 Ca 0.49 0.11 -0.05 0.00 0.12 0.00 0.00 56.93 57.60 1waf s PHE 16 Cb -0.10 -0.47 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 1waf s PHE 16 CO 0.47 -0.18 0.13 -1.83 -0.10 0.00 0.00 175.22 173.71 1waf s GLU 17 N 1.66 0.17 -0.15 0.44 -1.05 -0.78 -1.34 118.70 117.63 1waf s GLU 17 Ca -0.01 0.15 -0.07 0.00 -0.15 0.00 0.00 54.97 54.89 1waf s GLU 17 Cb -0.13 0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.60 1waf s GLU 17 CO -0.03 -0.02 0.07 1.03 0.95 0.00 0.00 175.26 177.26 1waf s ARG 18 N -0.01 3.69 0.31 -4.83 0.52 0.27 -2.74 118.95 116.16 1waf s ARG 18 Ca -0.01 -0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 54.75 1waf s ARG 18 Cb -0.01 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.33 1waf s ARG 18 CO 0.00 0.47 0.67 1.52 0.02 0.00 0.00 175.30 177.98 1waf s TYR 19 N -0.18 0.15 -0.07 -0.53 1.13 -0.32 0.98 117.35 118.50 1waf s TYR 19 Ca 0.08 -0.63 -0.02 0.00 -1.41 0.00 0.00 57.07 55.09 1waf s TYR 19 Cb -0.12 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 1waf s TYR 19 CO 0.01 -1.28 0.02 0.42 -2.51 0.00 0.00 175.55 172.22 1waf s ILE 20 N -3.37 4.45 0.75 -3.49 -1.09 -0.21 -0.05 121.20 118.19 1waf s ILE 20 Ca 0.17 -0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1waf s ILE 20 Cb -0.04 -2.91 0.14 0.00 -1.58 0.00 0.00 42.46 38.07 1waf s ILE 20 CO 0.10 0.56 1.03 1.51 -1.23 0.00 0.00 174.94 176.91 1waf s ASP 21 N -1.05 4.20 0.05 3.58 1.47 -0.63 -2.94 116.67 121.36 1waf s ASP 21 Ca 0.15 -0.33 0.02 0.00 1.18 0.00 0.00 52.55 53.56 1waf s ASP 21 Cb -0.11 0.00 0.08 0.00 -0.34 0.00 0.00 42.92 42.55 1waf s ASP 21 CO 0.04 -1.97 0.79 -1.20 0.68 0.00 0.00 175.17 173.51 1waf n SER 22 N -2.93 0.04 -3.19 2.11 7.64 -1.26 -2.11 113.62 113.93 1waf n SER 22 Ca 0.15 0.26 -0.23 0.00 1.01 0.00 0.00 58.87 60.06 1waf n SER 22 Cb 0.60 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 1waf n SER 22 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1waf n ASN 23 N -1.34 -0.17 0.00 6.43 6.94 -1.26 -3.21 115.26 122.66 1waf n ASN 23 Ca -0.00 -2.68 0.00 0.00 -0.02 0.00 0.00 54.58 51.88 1waf n ASN 23 Cb 0.31 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 1waf n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1waf n GLY 24 N 1.66 0.00 3.69 4.83 0.00 -0.90 -4.94 105.19 109.53 1waf n GLY 24 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1waf n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1waf s ARG 25 N -0.09 4.27 -0.48 1.61 0.52 -1.26 -4.70 118.95 118.82 1waf s ARG 25 Ca 0.00 0.47 -0.28 0.00 -0.52 0.00 0.00 55.73 55.40 1waf s ARG 25 Cb 0.00 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1waf s ARG 25 CO 0.00 -0.02 1.66 -2.00 0.02 0.00 0.00 175.30 174.95 1waf s GLU 26 N 1.20 3.17 0.44 3.54 2.12 -1.26 -1.60 118.70 126.32 1waf s GLU 26 Ca 0.26 0.87 0.04 0.00 0.36 0.00 0.00 54.97 56.50 1waf s GLU 26 Cb -0.15 -4.20 -0.01 0.00 0.26 0.00 0.00 34.13 30.02 1waf s GLU 26 CO 0.10 -2.08 0.13 0.50 -0.54 0.00 0.00 175.26 173.38 1waf s ARG 27 N 5.89 2.04 0.16 4.30 6.06 0.93 -4.93 118.95 133.40 1waf s ARG 27 Ca 0.66 -2.27 0.04 0.00 -2.50 0.00 0.00 55.73 51.66 1waf s ARG 27 Cb -0.15 -0.68 -0.05 0.00 0.06 0.00 0.00 34.95 34.14 1waf s ARG 27 CO 0.28 -0.53 -0.08 0.99 -2.50 0.00 0.00 175.30 173.45 1waf s THR 28 N -3.13 1.09 -0.16 4.11 2.01 -1.26 -1.17 115.64 117.13 1waf s THR 28 Ca 0.19 -2.04 -0.26 0.00 0.31 0.00 0.00 61.69 59.88 1waf s THR 28 Cb 0.01 -1.92 0.06 0.00 0.01 0.00 0.00 72.50 70.66 1waf s THR 28 CO 0.13 -0.68 0.65 0.00 -0.69 0.00 0.00 174.62 174.03 1waf s ARG 29 N -3.78 0.88 -0.60 4.92 1.70 -1.11 -5.00 118.95 115.96 1waf s ARG 29 Ca 0.18 0.60 -0.05 0.00 -0.47 0.00 0.00 55.73 56.00 1waf s ARG 29 Cb 0.03 0.42 0.16 0.00 -0.57 0.00 0.00 34.95 34.99 1waf s ARG 29 CO 0.02 -0.19 0.43 -2.00 -1.08 0.00 0.00 175.30 172.47 1waf s GLU 30 N -0.34 2.58 -0.27 3.89 2.12 -1.26 -1.87 118.70 123.53 1waf s GLU 30 Ca -0.05 -2.34 -0.15 0.00 0.36 0.00 0.00 54.97 52.78 1waf s GLU 30 Cb -0.03 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 1waf s GLU 30 CO 0.05 -1.17 0.39 0.08 -0.54 0.00 0.00 175.26 174.07 1waf s VAL 31 N 0.28 5.16 -0.84 3.70 1.01 -0.50 -4.86 120.40 124.34 1waf s VAL 31 Ca 0.15 0.57 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 1waf s VAL 31 Cb -0.20 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1waf s VAL 31 CO -0.04 0.13 1.32 -0.70 0.00 0.00 0.00 175.10 175.81 1waf s GLU 32 N 2.11 3.34 0.28 2.72 2.12 -1.26 0.12 118.70 128.12 1waf s GLU 32 Ca 0.16 -0.62 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 1waf s GLU 32 Cb -0.16 -4.62 -0.10 0.00 0.26 0.00 0.00 34.13 29.52 1waf s GLU 32 CO 0.10 -2.14 1.25 -0.47 -0.54 0.00 0.00 175.26 173.46 1waf s TYR 33 N 5.30 3.24 -0.92 5.30 5.04 -1.19 -4.96 117.35 129.16 1waf s TYR 33 Ca 0.38 1.44 -0.06 0.00 -2.44 0.00 0.00 57.07 56.38 1waf s TYR 33 Cb -0.06 -3.56 0.23 0.00 0.35 0.00 0.00 41.96 38.93 1waf s TYR 33 CO 0.05 -1.53 0.84 0.15 -1.34 0.00 0.00 175.55 173.73 1waf s LYS 34 N -1.25 3.55 0.42 4.97 -0.14 -1.25 -3.41 119.74 122.62 1waf s LYS 34 Ca 0.50 -3.04 -0.26 0.00 -1.36 0.00 0.00 55.97 51.81 1waf s LYS 34 Cb -0.37 -4.20 -0.10 0.00 -1.68 0.00 0.00 37.83 31.48 1waf s LYS 34 CO 0.46 -1.25 1.44 -0.35 -0.76 0.00 0.00 175.35 174.89 1waf n PRO 35 N 2.86 2.41 -4.79 -1.68 -0.04 -1.26 -4.72 135.00 127.77 1waf n PRO 35 Ca 0.19 0.85 -0.33 0.00 -0.04 0.00 0.00 63.50 64.17 1waf n PRO 35 Cb 0.39 -2.63 -0.14 0.00 -0.04 0.00 0.00 33.50 31.09 1waf n PRO 35 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1waf s SER 36 N -0.33 4.10 0.40 3.54 0.01 -1.26 -2.40 113.70 117.77 1waf s SER 36 Ca 0.58 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.65 1waf s SER 36 Cb -0.47 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 1waf s SER 36 CO 0.60 0.25 0.19 -0.76 0.41 0.00 0.00 173.24 173.93 1waf s LEU 37 N -0.16 1.93 0.14 2.44 1.43 -0.12 -4.68 118.68 119.65 1waf s LEU 37 Ca -0.00 -1.76 -0.05 0.00 -1.03 0.00 0.00 54.13 51.29 1waf s LEU 37 Cb -0.13 0.14 -0.02 0.00 0.03 0.00 0.00 46.19 46.20 1waf s LEU 37 CO 0.03 -1.02 0.17 -0.36 0.23 0.00 0.00 176.35 175.39 1waf s PHE 38 N -3.23 0.59 -0.06 0.29 0.08 -0.68 0.16 117.98 115.13 1waf s PHE 38 Ca 0.27 -0.97 -0.21 0.00 0.12 0.00 0.00 56.93 56.14 1waf s PHE 38 Cb 0.01 -0.26 0.04 0.00 -0.57 0.00 0.00 43.02 42.25 1waf s PHE 38 CO 0.19 -0.61 0.47 0.00 -0.10 0.00 0.00 175.22 175.17 1waf s ALA 39 N -4.00 -1.19 0.37 5.36 0.00 -1.24 -0.64 121.76 120.42 1waf s ALA 39 Ca 0.19 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 1waf s ALA 39 Cb 0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 1waf s ALA 39 CO -0.00 -0.29 1.42 -1.01 0.00 0.00 0.00 175.76 175.88 1waf s HIS 40 N -0.97 2.71 0.29 0.00 0.09 -1.26 -2.21 115.29 113.95 1waf s HIS 40 Ca -0.10 1.26 0.08 0.00 -0.00 0.00 0.00 55.06 56.30 1waf s HIS 40 Cb -0.03 -3.90 -0.04 0.00 -0.00 0.00 0.00 32.58 28.61 1waf s HIS 40 CO 0.05 -2.63 0.15 0.00 -0.00 0.00 0.00 174.74 172.32 1waf s PRO 42 N -3.83 4.15 0.00 0.00 0.04 -1.26 -4.75 135.00 129.36 1waf s PRO 42 Ca 0.35 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1waf s PRO 42 Cb -0.06 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1waf s PRO 42 CO 0.23 -0.92 0.00 0.39 0.04 0.00 0.00 177.00 176.74 1waf n GLU 43 N 7.40 0.00 -1.55 4.56 -0.58 -1.26 -3.79 120.64 125.41 1waf n GLU 43 Ca 0.19 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.74 1waf n GLU 43 Cb 0.42 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.22 1waf n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1waf n SER 44 N -0.71 1.72 -3.05 1.62 3.41 -1.26 -4.79 113.62 110.57 1waf n SER 44 Ca 0.00 -1.18 -0.13 0.00 -0.26 0.00 0.00 58.87 57.30 1waf n SER 44 Cb 0.00 -1.57 -0.01 0.00 -0.26 0.00 0.00 64.21 62.36 1waf n SER 44 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1waf s GLN 45 N 8.68 2.08 -0.08 4.33 -1.52 -1.25 -5.15 119.66 126.75 1waf s GLN 45 Ca 0.97 -1.68 0.01 0.00 -1.95 0.00 0.00 55.36 52.71 1waf s GLN 45 Cb -0.20 0.51 0.02 0.00 -0.22 0.00 0.00 33.01 33.12 1waf s GLN 45 CO 0.16 -0.91 -0.09 0.00 -0.25 0.00 0.00 175.29 174.20 1waf s ALA 46 N -2.67 1.20 0.06 6.09 0.00 -1.26 -5.13 121.76 120.05 1waf s ALA 46 Ca 0.25 -0.41 -0.28 0.00 0.00 0.00 0.00 51.96 51.52 1waf s ALA 46 Cb -0.02 -0.69 0.10 0.00 0.00 0.00 0.00 23.12 22.50 1waf s ALA 46 CO 0.18 -0.13 1.15 0.95 0.00 0.00 0.00 175.76 177.90 1waf s THR 47 N 1.16 0.00 0.00 0.00 -4.23 -1.26 -5.11 115.64 106.19 1waf s THR 47 Ca -0.06 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 1waf s THR 47 Cb -0.14 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.67 1waf s THR 47 CO -0.02 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.35 1waf n LYS 48 N -0.49 3.69 -2.84 3.99 5.02 -1.26 -5.00 118.16 121.27 1waf n LYS 48 Ca -0.07 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.19 1waf n LYS 48 Cb 0.62 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.60 1waf n LYS 48 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1waf n TYR 49 N 0.00 -2.37 -3.78 2.13 4.01 -0.76 -4.66 117.16 111.73 1waf n TYR 49 Ca 0.00 1.35 -0.13 0.00 -0.16 0.00 0.00 57.90 58.97 1waf n TYR 49 Cb 0.00 -2.56 -0.12 0.00 -0.31 0.00 0.00 39.34 36.35 1waf n TYR 49 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1waf s PHE 50 N -0.44 -0.25 1.28 -0.72 0.40 -1.21 -1.28 117.98 115.76 1waf s PHE 50 Ca -0.14 0.60 -0.19 0.00 -0.60 0.00 0.00 56.93 56.59 1waf s PHE 50 Cb 0.01 0.07 0.32 0.00 0.51 0.00 0.00 43.02 43.92 1waf s PHE 50 CO 0.42 -0.14 1.02 0.16 0.70 0.00 0.00 175.22 177.39 1waf s ASP 51 N 0.36 0.16 0.00 1.36 1.47 0.18 -2.42 116.67 117.77 1waf s ASP 51 Ca -0.02 0.87 0.00 0.00 1.18 0.00 0.00 52.55 54.58 1waf s ASP 51 Cb -0.03 -1.27 0.00 0.00 -0.34 0.00 0.00 42.92 41.28 1waf s ASP 51 CO -0.02 -4.62 0.42 2.30 0.68 0.00 0.00 175.17 173.93 1waf n ILE 52 N -5.13 0.00 0.00 2.11 -0.00 -1.23 -2.69 119.36 112.42 1waf n ILE 52 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 1waf n ILE 52 Cb 0.59 -0.28 0.00 0.00 -0.00 0.00 0.00 39.64 39.95 1waf n ILE 52 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1waf n TYR 53 N -0.03 0.00 0.00 4.28 4.01 -1.26 -4.70 117.16 119.46 1waf n TYR 53 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1waf n TYR 53 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1waf n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1waf n GLY 54 N 1.03 2.90 1.83 2.72 0.00 -1.09 -5.08 105.19 107.50 1waf n GLY 54 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1waf n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1waf n LYS 55 N 0.00 0.00 -3.22 1.61 5.02 -1.26 -4.32 118.16 115.98 1waf n LYS 55 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1waf n LYS 55 Cb 0.00 -0.77 -0.04 0.00 -0.02 0.00 0.00 35.03 34.20 1waf n LYS 55 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1waf s PRO 56 N -0.03 3.77 0.20 1.97 0.04 -1.26 0.49 135.00 140.18 1waf s PRO 56 Ca 0.47 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 61.78 1waf s PRO 56 Cb -0.66 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1waf s PRO 56 CO 0.30 0.18 0.15 0.00 0.04 0.00 0.00 177.00 177.67 1waf s THR 58 N -4.14 0.69 0.60 0.00 -4.23 -0.94 -4.70 115.64 102.93 1waf s THR 58 Ca 0.36 -0.33 -0.18 0.00 -1.18 0.00 0.00 61.69 60.37 1waf s THR 58 Cb 0.06 -0.60 -0.05 0.00 1.34 0.00 0.00 72.50 73.25 1waf s THR 58 CO 0.11 0.21 0.88 -1.14 -0.54 0.00 0.00 174.62 174.14 1waf n ARG 59 N 3.17 0.79 -3.82 3.99 0.63 -1.26 -3.68 116.66 116.49 1waf n ARG 59 Ca -0.17 0.31 -0.22 0.00 -0.92 0.00 0.00 57.85 56.85 1waf n ARG 59 Cb 0.55 -2.09 -0.17 0.00 0.45 0.00 0.00 32.46 31.20 1waf n ARG 59 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1waf s LYS 60 N -2.67 0.62 -0.12 -0.14 -0.14 0.12 -4.92 119.74 112.49 1waf s LYS 60 Ca 0.75 0.08 -0.06 0.00 -1.36 0.00 0.00 55.97 55.39 1waf s LYS 60 Cb -0.42 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 34.75 1waf s LYS 60 CO 0.48 -0.27 0.09 -1.17 -0.76 0.00 0.00 175.35 173.72 1waf s LEU 61 N 1.83 4.10 -0.00 3.17 1.98 -1.26 -0.95 118.68 127.55 1waf s LEU 61 Ca 0.03 0.32 0.07 0.00 -2.89 0.00 0.00 54.13 51.67 1waf s LEU 61 Cb -0.12 -2.00 -0.09 0.00 0.66 0.00 0.00 46.19 44.64 1waf s LEU 61 CO -0.05 0.36 0.28 0.49 -1.89 0.00 0.00 176.35 175.54 1waf n PHE 62 N 2.32 0.00 0.00 5.38 3.01 -1.01 -4.99 117.46 122.17 1waf n PHE 62 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1waf n PHE 62 Cb 0.54 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1waf n PHE 62 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1waf n ALA 63 N -1.33 0.00 -1.84 4.37 0.00 -1.26 -4.59 120.51 115.85 1waf n ALA 63 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1waf n ALA 63 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1waf n ALA 63 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1waf s ASN 64 N -1.60 7.43 0.05 0.00 3.84 -1.26 -3.86 114.94 119.54 1waf s ASN 64 Ca 0.00 2.09 -0.17 0.00 0.21 0.00 0.00 52.86 54.99 1waf s ASN 64 Cb 0.00 -2.61 -0.18 0.00 -0.55 0.00 0.00 41.25 37.90 1waf s ASN 64 CO 0.00 -0.03 1.23 -0.03 -2.79 0.00 0.00 177.10 175.48 1waf h MET 65 N 4.27 0.58 0.00 0.43 1.85 -1.70 -3.30 114.93 117.05 1waf h MET 65 Ca -0.45 -0.49 0.00 0.00 -0.61 0.00 0.00 59.70 58.15 1waf h MET 65 Cb 1.21 0.11 0.00 0.00 0.43 0.00 0.00 31.60 33.34 1waf h MET 65 CO 0.69 1.11 0.00 2.89 -0.40 0.00 0.00 176.91 181.20 1waf n ARG 66 N -4.15 0.39 0.11 0.39 1.85 -1.26 -2.93 116.66 111.05 1waf n ARG 66 Ca -0.08 0.07 -0.13 0.00 -1.00 0.00 0.00 57.85 56.70 1waf n ARG 66 Cb 0.65 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.48 1waf n ARG 66 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1waf h ASP 67 N 0.00 -0.22 -0.97 2.89 3.32 -1.89 -2.70 116.42 116.86 1waf h ASP 67 Ca 0.00 -0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.01 1waf h ASP 67 Cb 0.16 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 39.64 1waf h ASP 67 CO 0.00 0.02 -0.54 0.00 -1.72 0.00 0.00 179.24 177.00 1waf n ALA 68 N -2.31 -0.54 -0.29 3.45 0.00 -1.15 0.18 120.51 119.85 1waf n ALA 68 Ca -0.09 0.85 0.12 0.00 0.00 0.00 0.00 53.44 54.32 1waf n ALA 68 Cb 0.19 -0.19 0.28 0.00 0.00 0.00 0.00 19.45 19.73 1waf n ALA 68 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1waf h SER 69 N 0.00 0.11 -0.34 0.00 0.02 -1.66 0.72 113.55 112.41 1waf h SER 69 Ca 0.19 0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 61.22 1waf h SER 69 Cb 0.43 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 1waf h SER 69 CO -0.92 -0.09 -0.10 -0.61 -1.14 0.00 0.00 176.83 173.97 1waf h GLN 70 N 0.28 0.76 0.54 3.45 5.75 0.05 -2.64 115.11 123.31 1waf h GLN 70 Ca 0.53 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.76 1waf h GLN 70 Cb 1.03 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 29.52 1waf h GLN 70 CO -0.59 0.84 -0.26 2.35 -2.65 0.00 0.00 178.83 178.52 1waf h TRP 71 N 0.69 -0.68 -0.20 3.99 7.01 0.25 -2.81 115.95 124.21 1waf h TRP 71 Ca 0.12 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.15 1waf h TRP 71 Cb 0.57 0.22 -0.07 0.00 -2.10 0.00 0.00 29.16 27.79 1waf h TRP 71 CO 0.03 -0.42 -0.49 0.82 -2.79 0.00 0.00 178.44 175.58 1waf h ILE 72 N -1.02 0.06 -0.45 2.65 5.03 -0.86 -0.71 117.51 122.21 1waf h ILE 72 Ca -0.07 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.71 1waf h ILE 72 Cb 0.56 0.06 -0.05 0.00 -3.03 0.00 0.00 36.82 34.35 1waf h ILE 72 CO 0.12 0.00 -0.27 1.17 -0.68 0.00 0.00 178.15 178.50 1waf n LYS 73 N -5.43 -0.20 -0.04 2.37 0.00 -0.99 -0.79 118.16 113.09 1waf n LYS 73 Ca -0.04 0.85 -0.13 0.00 0.00 0.00 0.00 58.31 58.98 1waf n LYS 73 Cb 0.37 -1.25 -0.08 0.00 0.00 0.00 0.00 35.03 34.07 1waf n LYS 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1waf h ARG 74 N 0.00 -0.48 -0.57 1.64 2.43 -0.93 -2.63 114.38 113.84 1waf h ARG 74 Ca 0.07 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.38 1waf h ARG 74 Cb 0.19 0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 29.73 1waf h ARG 74 CO -0.43 -0.32 -0.31 0.52 -1.51 0.00 0.00 179.97 177.93 1waf h MET 75 N -0.50 -0.15 -0.52 0.20 2.86 0.42 0.36 114.93 117.61 1waf h MET 75 Ca 0.07 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1waf h MET 75 Cb 0.64 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1waf h MET 75 CO -0.46 -0.10 0.35 0.93 1.06 0.00 0.00 176.91 178.69 1waf h GLU 76 N -0.15 0.49 0.40 1.72 5.08 -1.16 0.51 114.58 121.46 1waf h GLU 76 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1waf h GLU 76 Cb 0.54 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1waf h GLU 76 CO -0.65 0.33 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.00 1waf h ASP 77 N 0.51 -0.59 -0.75 1.42 3.32 0.03 -2.76 116.42 117.59 1waf h ASP 77 Ca 0.22 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.39 1waf h ASP 77 Cb 0.23 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 1waf h ASP 77 CO -0.06 -0.38 0.41 0.40 -1.72 0.00 0.00 179.24 177.89 1waf h ILE 78 N -0.61 0.91 0.00 0.35 2.04 -0.53 -3.46 117.51 116.22 1waf h ILE 78 Ca -0.04 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1waf h ILE 78 Cb 0.50 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1waf h ILE 78 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.94 1waf n GLY 79 N -1.31 0.74 3.75 5.37 0.00 0.07 -5.12 105.19 108.70 1waf n GLY 79 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1waf n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1waf s LEU 80 N 0.00 4.50 -0.01 0.99 1.43 -0.58 -4.93 118.68 120.08 1waf s LEU 80 Ca 0.00 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 54.38 1waf s LEU 80 Cb 0.00 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1waf s LEU 80 CO 0.00 0.05 1.13 -0.70 0.23 0.00 0.00 176.35 177.05 1waf s GLU 81 N -0.32 4.44 -0.23 1.70 2.12 -1.26 -3.64 118.70 121.52 1waf s GLU 81 Ca 0.40 1.62 -0.07 0.00 0.36 0.00 0.00 54.97 57.27 1waf s GLU 81 Cb -0.22 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 1waf s GLU 81 CO 0.25 -0.27 0.07 0.00 -0.54 0.00 0.00 175.26 174.77 1waf s ALA 82 N 1.49 3.24 0.34 6.30 0.00 -1.26 -4.34 121.76 127.53 1waf s ALA 82 Ca 0.55 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.59 1waf s ALA 82 Cb -0.25 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 1waf s ALA 82 CO 0.26 -0.26 0.23 -0.51 0.00 0.00 0.00 175.76 175.47 1waf s LEU 83 N 1.20 3.42 0.00 0.00 1.02 0.19 -4.22 118.68 120.29 1waf s LEU 83 Ca 0.05 -0.65 0.00 0.00 0.02 0.00 0.00 54.13 53.54 1waf s LEU 83 Cb -0.14 -1.97 0.00 0.00 0.02 0.00 0.00 46.19 44.10 1waf s LEU 83 CO 0.03 -0.35 0.00 0.61 0.02 0.00 0.00 176.35 176.66 1waf n GLY 84 N -1.28 -0.11 3.44 -3.19 0.00 -1.05 -1.68 105.19 101.32 1waf n GLY 84 Ca -0.02 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 1waf n GLY 84 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1waf s MET 85 N -0.86 3.10 0.50 1.61 1.75 -1.26 -4.79 119.30 119.35 1waf s MET 85 Ca 0.00 -0.92 0.23 0.00 -1.25 0.00 0.00 55.69 53.75 1waf s MET 85 Cb 0.00 -4.24 1.30 0.00 2.84 0.00 0.00 34.83 34.73 1waf s MET 85 CO 0.00 -1.78 2.05 0.38 -0.65 0.00 0.00 175.02 175.02 1waf h ASP 86 N 9.51 0.00 -3.41 1.11 2.03 -1.95 -3.37 116.42 120.33 1waf h ASP 86 Ca -0.29 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.38 1waf h ASP 86 Cb 1.07 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.44 1waf h ASP 86 CO 1.17 0.14 0.37 -0.62 -1.03 0.00 0.00 179.24 179.27 1waf s ASP 87 N -6.44 6.35 0.25 4.15 -1.08 -1.26 -4.90 116.67 113.75 1waf s ASP 87 Ca -0.03 -0.34 -0.01 0.00 -0.52 0.00 0.00 52.55 51.64 1waf s ASP 87 Cb 0.14 -2.38 0.31 0.00 -1.46 0.00 0.00 42.92 39.53 1waf s ASP 87 CO 0.62 -1.02 1.70 -0.26 0.52 0.00 0.00 175.17 176.74 1waf h PHE 88 N 9.10 0.75 -0.44 -5.34 0.04 -2.00 -2.83 116.94 116.21 1waf h PHE 88 Ca -0.26 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.45 1waf h PHE 88 Cb 1.08 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.97 1waf h PHE 88 CO 0.83 0.80 0.00 0.87 -0.60 0.00 0.00 178.31 180.21 1waf h LYS 89 N 0.61 0.11 0.00 1.51 1.57 -1.94 0.45 116.57 118.88 1waf h LYS 89 Ca 0.10 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1waf h LYS 89 Cb 0.62 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1waf h LYS 89 CO 0.04 0.07 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.79 1waf h LEU 90 N 0.12 0.00 0.24 2.94 3.38 -1.85 -1.94 115.31 118.20 1waf h LEU 90 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1waf h LEU 90 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1waf h LEU 90 CO -0.36 0.14 -0.12 0.00 0.09 0.00 0.00 178.44 178.19 1waf h ALA 91 N 1.86 -0.33 -0.91 1.53 0.00 -0.76 -2.87 119.26 117.79 1waf h ALA 91 Ca -0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1waf h ALA 91 Cb 0.44 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 1waf h ALA 91 CO 0.02 -0.33 -0.54 -0.92 0.00 0.00 0.00 179.25 177.48 1waf h TYR 92 N -1.03 -1.74 -0.38 0.00 5.03 0.22 -0.76 116.97 118.30 1waf h TYR 92 Ca -0.03 0.12 0.05 0.00 2.58 0.00 0.00 58.73 61.44 1waf h TYR 92 Cb 0.38 0.88 -0.08 0.00 1.55 0.00 0.00 36.73 39.46 1waf h TYR 92 CO 0.03 -0.34 -0.55 -0.07 -1.32 0.00 0.00 178.16 175.91 1waf h LEU 93 N -0.00 -1.83 -0.77 2.82 3.38 -1.47 -1.56 115.31 115.87 1waf h LEU 93 Ca 0.15 0.24 0.28 0.00 0.09 0.00 0.00 57.88 58.64 1waf h LEU 93 Cb 0.38 0.75 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 1waf h LEU 93 CO -0.86 -0.41 0.26 -0.24 0.09 0.00 0.00 178.44 177.28 1waf n SER 94 N -5.38 0.13 -0.02 -0.43 2.88 -0.31 -0.19 113.62 110.30 1waf n SER 94 Ca -0.04 1.30 -0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1waf n SER 94 Cb 0.35 -0.57 -0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1waf n SER 94 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1waf h ASP 95 N 0.00 0.00 -0.79 -3.46 3.32 -1.14 -3.30 116.42 111.06 1waf h ASP 95 Ca 0.58 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.82 1waf h ASP 95 Cb 1.44 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.86 1waf h ASP 95 CO -0.65 0.15 0.14 0.71 -1.72 0.00 0.00 179.24 177.88 1waf h THR 96 N -0.30 0.39 -3.42 0.35 1.35 -0.66 -2.66 112.91 107.96 1waf h THR 96 Ca 0.00 -0.07 -0.69 0.00 -0.55 0.00 0.00 66.41 65.10 1waf h THR 96 Cb 0.00 0.18 -0.36 0.00 -1.73 0.00 0.00 68.15 66.24 1waf h THR 96 CO 0.00 0.04 -0.30 -0.31 -0.25 0.00 0.00 175.52 174.70 1waf s TYR 97 N -6.03 3.57 -0.12 4.73 1.51 0.74 -4.83 117.35 116.92 1waf s TYR 97 Ca -0.13 -2.90 0.17 0.00 -1.01 0.00 0.00 57.07 53.20 1waf s TYR 97 Cb 0.23 -3.15 -0.16 0.00 -0.11 0.00 0.00 41.96 38.77 1waf s TYR 97 CO 0.76 -0.77 0.72 0.27 -1.11 0.00 0.00 175.55 175.42 1waf n ASN 98 N 2.92 0.71 -4.27 2.29 6.94 -1.01 -4.34 115.26 118.50 1waf n ASN 98 Ca 0.14 0.31 -0.28 0.00 -0.02 0.00 0.00 54.58 54.72 1waf n ASN 98 Cb 0.37 0.39 0.17 0.00 -2.36 0.00 0.00 39.78 38.34 1waf n ASN 98 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1waf s TYR 99 N -2.93 1.59 0.62 -2.53 1.13 -1.26 -5.03 117.35 108.94 1waf s TYR 99 Ca -0.04 0.16 -0.17 0.00 -1.41 0.00 0.00 57.07 55.61 1waf s TYR 99 Cb 0.09 -3.83 -0.02 0.00 -1.10 0.00 0.00 41.96 37.10 1waf s TYR 99 CO 0.82 -2.41 1.13 -2.00 -2.51 0.00 0.00 175.55 170.58 1waf s GLU 100 N -5.70 2.95 0.00 -3.49 2.12 -1.26 -5.01 118.70 108.31 1waf s GLU 100 Ca 0.72 1.54 0.00 0.00 0.36 0.00 0.00 54.97 57.59 1waf s GLU 100 Cb -0.04 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.39 1waf s GLU 100 CO 0.51 -1.16 0.25 -0.89 -0.54 0.00 0.00 175.26 173.42 1waf n ILE 101 N -1.98 0.00 -2.55 -3.70 2.08 -1.26 -5.07 119.36 106.88 1waf n ILE 101 Ca 0.11 0.56 -0.03 0.00 0.56 0.00 0.00 62.75 63.95 1waf n ILE 101 Cb 0.51 -1.17 -0.03 0.00 -0.75 0.00 0.00 39.64 38.20 1waf n ILE 101 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1waf n LYS 102 N -0.40 -3.80 -3.99 0.38 5.02 -1.26 -4.97 118.16 109.14 1waf n LYS 102 Ca 0.00 2.97 -0.21 0.00 -2.02 0.00 0.00 58.31 59.04 1waf n LYS 102 Cb 0.00 -4.86 -0.04 0.00 -0.02 0.00 0.00 35.03 30.11 1waf n LYS 102 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1waf s TYR 103 N -0.99 3.08 -0.09 2.13 -0.85 -1.26 -4.89 117.35 114.48 1waf s TYR 103 Ca -0.15 -0.16 -0.06 0.00 -0.52 0.00 0.00 57.07 56.18 1waf s TYR 103 Cb 0.01 -1.55 -0.02 0.00 0.38 0.00 0.00 41.96 40.78 1waf s TYR 103 CO 0.73 0.40 -0.11 0.22 -1.52 0.00 0.00 175.55 175.26 1waf h ASP 104 N 1.37 0.00 0.00 -0.18 3.58 -1.97 -3.49 116.42 115.73 1waf h ASP 104 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1waf h ASP 104 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1waf h ASP 104 CO 0.60 0.50 0.00 0.00 -2.88 0.00 0.00 179.24 177.46 1waf n HIS 105 N -3.87 0.00 0.30 0.28 1.44 -1.26 -4.64 115.22 107.48 1waf n HIS 105 Ca -0.05 0.00 0.20 0.00 -2.01 0.00 0.00 57.72 55.86 1waf n HIS 105 Cb 0.17 0.00 1.01 0.00 0.12 0.00 0.00 29.99 31.29 1waf n HIS 105 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 1waf h THR 106 N 0.00 0.00 -0.48 0.61 1.35 -2.02 -0.28 112.91 112.09 1waf h THR 106 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1waf h THR 106 Cb 0.00 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1waf h THR 106 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1waf n LYS 107 N -2.92 2.69 -4.08 4.72 5.02 -1.26 -4.79 118.16 117.54 1waf n LYS 107 Ca -0.02 -1.96 -0.32 0.00 -2.02 0.00 0.00 58.31 53.99 1waf n LYS 107 Cb 0.11 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.36 1waf n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1waf s ILE 108 N -1.61 2.08 -0.71 -0.18 1.01 -0.12 -4.96 121.20 116.70 1waf s ILE 108 Ca 0.36 -1.37 -0.26 0.00 0.00 0.00 0.00 60.65 59.38 1waf s ILE 108 Cb 0.22 -2.10 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 1waf s ILE 108 CO 0.19 0.16 2.29 -0.60 0.00 0.00 0.00 174.94 176.98 1waf s ARG 109 N 1.19 1.97 -0.34 2.79 3.52 -1.26 -4.66 118.95 122.16 1waf s ARG 109 Ca -0.04 0.63 -0.15 0.00 -0.13 0.00 0.00 55.73 56.04 1waf s ARG 109 Cb -0.18 -4.74 -0.01 0.00 -1.56 0.00 0.00 34.95 28.46 1waf s ARG 109 CO -0.08 -3.82 0.36 0.08 -0.81 0.00 0.00 175.30 171.03 1waf s VAL 110 N 12.88 5.17 -0.17 7.11 1.01 -1.26 -0.82 120.40 144.32 1waf s VAL 110 Ca 0.88 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 1waf s VAL 110 Cb -0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1waf s VAL 110 CO 0.13 -0.09 0.12 0.00 0.00 0.00 0.00 175.10 175.25 1waf s ALA 111 N 2.02 3.69 -0.15 5.51 0.00 0.11 -2.00 121.76 130.94 1waf s ALA 111 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1waf s ALA 111 Cb -0.17 -2.04 0.03 0.00 0.00 0.00 0.00 23.12 20.94 1waf s ALA 111 CO 0.12 0.32 -0.12 1.21 0.00 0.00 0.00 175.76 177.29 1waf s ASN 112 N -0.12 2.66 0.22 0.00 3.04 -1.14 -0.64 114.94 118.96 1waf s ASN 112 Ca 0.10 -0.50 0.05 0.00 0.04 0.00 0.00 52.86 52.55 1waf s ASN 112 Cb -0.12 -1.10 -0.02 0.00 -1.54 0.00 0.00 41.25 38.48 1waf s ASN 112 CO 0.00 -0.08 0.17 2.22 -3.04 0.00 0.00 177.10 176.37 1waf n PHE 113 N 4.80 -0.43 -3.46 0.43 -1.74 -1.16 0.61 117.46 116.52 1waf n PHE 113 Ca -0.16 -1.78 0.01 0.00 -0.56 0.00 0.00 57.45 54.97 1waf n PHE 113 Cb 0.50 0.16 -0.05 0.00 1.52 0.00 0.00 39.48 41.61 1waf n PHE 113 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1waf s ASP 114 N -2.50 -0.40 0.33 5.98 2.15 -1.06 -4.45 116.67 116.71 1waf s ASP 114 Ca 0.24 0.58 0.06 0.00 0.43 0.00 0.00 52.55 53.86 1waf s ASP 114 Cb 0.01 1.36 -0.01 0.00 -0.30 0.00 0.00 42.92 43.98 1waf s ASP 114 CO 0.17 -0.09 0.46 0.27 -0.17 0.00 0.00 175.17 175.82 1waf s ILE 115 N 1.91 4.19 -0.06 4.11 -5.25 -1.26 -2.90 121.20 121.94 1waf s ILE 115 Ca -0.04 -0.99 -0.03 0.00 -0.99 0.00 0.00 60.65 58.60 1waf s ILE 115 Cb -0.04 -3.45 0.03 0.00 2.95 0.00 0.00 42.46 41.95 1waf s ILE 115 CO -0.16 -0.18 0.14 -1.61 -1.79 0.00 0.00 174.94 171.35 1waf s GLU 116 N -4.16 0.11 0.03 0.37 0.41 -0.70 -4.96 118.70 109.79 1waf s GLU 116 Ca 0.44 0.32 0.05 0.00 -0.41 0.00 0.00 54.97 55.37 1waf s GLU 116 Cb -0.09 -0.11 -0.02 0.00 -1.78 0.00 0.00 34.13 32.12 1waf s GLU 116 CO 0.31 -0.13 -0.16 0.08 -0.49 0.00 0.00 175.26 174.87 1waf s VAL 117 N 0.88 1.28 -0.22 2.63 1.01 -1.26 -1.38 120.40 123.35 1waf s VAL 117 Ca -0.07 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1waf s VAL 117 Cb -0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1waf s VAL 117 CO -0.04 0.14 0.05 -0.89 0.00 0.00 0.00 175.10 174.35 1waf s THR 118 N -0.72 4.37 0.06 3.92 2.01 -1.26 -4.93 115.64 119.10 1waf s THR 118 Ca 0.04 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.96 1waf s THR 118 Cb -0.08 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1waf s THR 118 CO 0.01 0.40 -0.23 -0.55 -0.69 0.00 0.00 174.62 173.55 1waf s SER 119 N 1.07 2.80 0.08 3.53 0.15 -1.26 -4.79 113.70 115.27 1waf s SER 119 Ca 0.04 -0.59 -0.30 0.00 0.70 0.00 0.00 55.95 55.80 1waf s SER 119 Cb -0.14 -0.23 -0.14 0.00 -1.71 0.00 0.00 66.02 63.80 1waf s SER 119 CO 0.03 0.18 1.48 1.55 1.20 0.00 0.00 173.24 177.68 1waf h PRO 120 N 4.66 -0.72 -5.84 5.44 0.13 -1.93 -3.35 132.00 130.40 1waf h PRO 120 Ca -0.45 0.05 -0.59 0.00 -0.87 0.00 0.00 66.00 64.14 1waf h PRO 120 Cb 1.16 0.16 -0.08 0.00 0.13 0.00 0.00 31.00 32.37 1waf h PRO 120 CO 0.43 -0.48 0.42 -0.51 -0.23 0.00 0.00 178.00 177.63 1waf s ASP 121 N -4.22 6.87 0.22 1.44 1.01 -1.26 -4.84 116.67 115.90 1waf s ASP 121 Ca -0.15 1.08 0.19 0.00 0.71 0.00 0.00 52.55 54.38 1waf s ASP 121 Cb 0.04 -2.44 0.71 0.00 1.01 0.00 0.00 42.92 42.25 1waf s ASP 121 CO 0.52 -0.46 0.67 0.61 0.21 0.00 0.00 175.17 176.71 1waf n GLY 122 N 3.65 -0.40 3.65 0.21 0.00 -1.26 -4.41 105.19 106.63 1waf n GLY 122 Ca 0.05 0.30 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 1waf n GLY 122 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1waf s PHE 123 N -3.94 3.07 0.47 1.61 0.08 -1.26 -4.85 117.98 113.16 1waf s PHE 123 Ca -0.02 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.17 1waf s PHE 123 Cb 0.12 -1.73 0.03 0.00 -0.57 0.00 0.00 43.02 40.88 1waf s PHE 123 CO 0.37 0.43 0.28 -0.35 -0.10 0.00 0.00 175.22 175.85 1waf n PRO 124 N 1.92 0.81 -3.96 0.24 -0.04 -1.26 -4.92 135.00 127.79 1waf n PRO 124 Ca -0.17 -3.07 -0.33 0.00 -0.04 0.00 0.00 63.50 59.88 1waf n PRO 124 Cb 0.53 0.45 -0.14 0.00 -0.04 0.00 0.00 33.50 34.30 1waf n PRO 124 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1waf s GLU 125 N -3.90 2.02 0.54 0.54 -6.30 -1.26 -4.93 118.70 105.42 1waf s GLU 125 Ca 0.21 -1.57 0.29 0.00 -2.50 0.00 0.00 54.97 51.40 1waf s GLU 125 Cb -0.02 -3.19 1.45 0.00 0.00 0.00 0.00 34.13 32.38 1waf s GLU 125 CO 0.13 -0.78 1.93 -1.35 0.02 0.00 0.00 175.26 175.21 1waf h PRO 126 N 7.83 0.00 -0.73 4.30 0.11 -1.95 0.12 132.00 141.69 1waf h PRO 126 Ca -0.14 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.13 1waf h PRO 126 Cb 1.04 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 1waf h PRO 126 CO 0.54 0.00 0.02 0.77 -0.21 0.00 0.00 178.00 179.12 1waf h SER 127 N 0.00 -0.31 0.00 -2.05 0.02 -1.94 -3.29 113.55 105.98 1waf h SER 127 Ca 0.34 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1waf h SER 127 Cb 1.39 0.32 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1waf h SER 127 CO -0.00 -0.16 -0.81 0.00 -1.14 0.00 0.00 176.83 174.72 1waf n GLN 128 N -5.32 2.27 -3.07 3.45 0.00 -0.89 -4.93 117.38 108.89 1waf n GLN 128 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.99 1waf n GLN 128 Cb 0.45 -0.91 0.06 0.00 0.00 0.00 0.00 30.24 29.85 1waf n GLN 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1waf n ALA 129 N -1.49 -2.26 0.11 2.61 0.00 0.36 -4.19 120.51 115.65 1waf n ALA 129 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.65 1waf n ALA 129 Cb 0.22 -5.14 0.57 0.00 0.00 0.00 0.00 19.45 15.10 1waf n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1waf h LYS 130 N -1.00 0.20 -6.30 0.00 1.57 -1.95 -3.43 116.57 105.67 1waf h LYS 130 Ca -0.54 -0.01 -0.44 0.00 -1.87 0.00 0.00 60.65 57.78 1waf h LYS 130 Cb 1.28 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1waf h LYS 130 CO 0.40 0.13 -0.35 -1.01 -0.57 0.00 0.00 179.45 178.05 1waf s HIS 131 N -5.22 3.13 0.44 -1.35 3.76 -1.26 -5.12 115.29 109.67 1waf s HIS 131 Ca -0.06 -0.21 -0.15 0.00 -0.15 0.00 0.00 55.06 54.49 1waf s HIS 131 Cb 0.18 -1.95 -0.08 0.00 1.11 0.00 0.00 32.58 31.84 1waf s HIS 131 CO 0.70 0.04 0.87 -1.25 -0.85 0.00 0.00 174.74 174.25 1waf s PRO 132 N -4.15 3.93 -0.10 8.40 0.04 -1.26 -5.01 135.00 136.85 1waf s PRO 132 Ca 0.44 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.04 1waf s PRO 132 Cb -0.09 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1waf s PRO 132 CO 0.31 -0.10 0.55 0.42 0.04 0.00 0.00 177.00 178.23 1waf s ILE 133 N -2.39 5.14 -1.05 0.56 1.01 -1.26 -4.07 121.20 119.14 1waf s ILE 133 Ca 0.56 1.12 0.10 0.00 0.00 0.00 0.00 60.65 62.43 1waf s ILE 133 Cb -0.10 -3.89 0.20 0.00 0.01 0.00 0.00 42.46 38.68 1waf s ILE 133 CO 0.27 0.30 1.07 -0.90 0.00 0.00 0.00 174.94 175.68 1waf n ASP 134 N 3.72 2.47 -3.57 3.58 5.68 -0.48 -4.86 116.55 123.08 1waf n ASP 134 Ca -0.05 -1.77 -0.16 0.00 -0.50 0.00 0.00 54.79 52.30 1waf n ASP 134 Cb 0.51 -0.13 -0.07 0.00 -1.14 0.00 0.00 41.12 40.30 1waf n ASP 134 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1waf s ALA 135 N -0.95 -1.72 -0.30 2.12 0.00 -0.92 -3.17 121.76 116.82 1waf s ALA 135 Ca 0.18 1.53 -0.08 0.00 0.00 0.00 0.00 51.96 53.59 1waf s ALA 135 Cb 0.10 -0.42 0.15 0.00 0.00 0.00 0.00 23.12 22.95 1waf s ALA 135 CO 0.14 -0.35 0.69 0.42 0.00 0.00 0.00 175.76 176.66 1waf s ILE 136 N -0.62 -0.92 -0.11 0.00 1.01 -1.13 -1.72 121.20 117.73 1waf s ILE 136 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 1waf s ILE 136 Cb -0.02 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1waf s ILE 136 CO 0.06 0.00 0.01 -0.89 0.00 0.00 0.00 174.94 174.13 1waf s THR 137 N 2.84 4.39 -0.36 2.92 2.01 -1.14 -1.33 115.64 124.97 1waf s THR 137 Ca 0.03 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1waf s THR 137 Cb -0.12 -2.87 0.15 0.00 0.01 0.00 0.00 72.50 69.66 1waf s THR 137 CO -0.19 0.58 0.25 -2.28 -0.69 0.00 0.00 174.62 172.29 1waf s HIS 138 N -0.62 0.59 0.67 4.92 5.04 0.30 -2.56 115.29 123.63 1waf s HIS 138 Ca 0.10 -1.57 -0.17 0.00 -1.54 0.00 0.00 55.06 51.88 1waf s HIS 138 Cb -0.12 -0.83 0.00 0.00 0.04 0.00 0.00 32.58 31.68 1waf s HIS 138 CO 0.02 -0.85 1.22 -0.47 -2.34 0.00 0.00 174.74 172.32 1waf s TYR 139 N 1.02 2.17 -0.23 3.88 5.04 0.20 -2.45 117.35 126.98 1waf s TYR 139 Ca 0.19 1.55 -0.03 0.00 -2.44 0.00 0.00 57.07 56.34 1waf s TYR 139 Cb -0.19 -3.52 0.08 0.00 0.35 0.00 0.00 41.96 38.68 1waf s TYR 139 CO -0.01 -2.54 0.07 0.34 -1.34 0.00 0.00 175.55 172.07 1waf s ASP 140 N -1.78 3.18 0.22 4.32 -1.08 -0.78 -2.89 116.67 117.86 1waf s ASP 140 Ca 0.77 -1.05 -0.14 0.00 -0.52 0.00 0.00 52.55 51.62 1waf s ASP 140 Cb -0.31 -0.56 0.25 0.00 -1.46 0.00 0.00 42.92 40.84 1waf s ASP 140 CO 0.40 -0.36 1.61 -1.28 0.52 0.00 0.00 175.17 176.07 1waf h SER 141 N 8.26 -0.72 -0.98 -0.34 0.87 -1.73 0.52 113.55 119.44 1waf h SER 141 Ca -0.16 0.21 0.14 0.00 -1.23 0.00 0.00 61.79 60.75 1waf h SER 141 Cb 1.08 0.45 -0.09 0.00 -0.44 0.00 0.00 62.40 63.41 1waf h SER 141 CO 0.38 -0.24 0.62 0.40 -0.53 0.00 0.00 176.83 177.45 1waf h ILE 142 N -0.02 0.84 0.00 2.23 1.08 -1.83 -3.05 117.51 116.76 1waf h ILE 142 Ca 0.32 -0.30 -0.12 0.00 -0.39 0.00 0.00 64.86 64.37 1waf h ILE 142 Cb 0.52 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 1waf h ILE 142 CO -0.71 0.16 -1.74 0.47 -0.69 0.00 0.00 178.15 175.63 1waf n ASP 143 N -4.64 0.40 -0.27 1.72 9.92 0.11 -4.99 116.55 118.81 1waf n ASP 143 Ca 0.20 0.17 -0.03 0.00 -0.53 0.00 0.00 54.79 54.59 1waf n ASP 143 Cb 0.44 1.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.90 1waf n ASP 143 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1waf n ASP 144 N -2.61 -4.52 -4.88 -2.24 2.03 0.14 -4.99 116.55 99.48 1waf n ASP 144 Ca -0.11 0.09 -0.23 0.00 0.52 0.00 0.00 54.79 55.06 1waf n ASP 144 Cb 0.76 -2.32 -0.02 0.00 -0.72 0.00 0.00 41.12 38.82 1waf n ASP 144 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1waf s ARG 145 N -1.65 2.39 -0.13 -0.67 1.81 -1.25 -4.90 118.95 114.55 1waf s ARG 145 Ca 0.00 -1.74 0.00 0.00 -1.72 0.00 0.00 55.73 52.27 1waf s ARG 145 Cb 0.00 -2.25 0.02 0.00 -0.45 0.00 0.00 34.95 32.27 1waf s ARG 145 CO 0.00 -0.37 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.08 1waf s PHE 146 N -2.60 1.87 -0.24 -0.53 0.40 -0.71 -1.86 117.98 114.30 1waf s PHE 146 Ca 0.43 -1.00 -0.13 0.00 -0.60 0.00 0.00 56.93 55.64 1waf s PHE 146 Cb -0.02 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 1waf s PHE 146 CO 0.26 -0.59 0.26 0.71 0.70 0.00 0.00 175.22 176.55 1waf s TYR 147 N 1.54 3.30 -0.18 0.36 1.51 -1.03 -1.41 117.35 121.45 1waf s TYR 147 Ca 0.04 0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.45 1waf s TYR 147 Cb -0.13 -2.40 0.02 0.00 -0.11 0.00 0.00 41.96 39.34 1waf s TYR 147 CO -0.09 -0.03 -0.20 0.08 -1.11 0.00 0.00 175.55 174.19 1waf s VAL 148 N 1.39 2.07 -0.20 0.71 1.01 -0.66 0.11 120.40 124.82 1waf s VAL 148 Ca 0.11 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1waf s VAL 148 Cb -0.15 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1waf s VAL 148 CO 0.07 0.54 0.04 -0.36 0.00 0.00 0.00 175.10 175.39 1waf s PHE 149 N 1.23 3.12 -0.03 5.22 0.40 -0.44 -0.90 117.98 126.58 1waf s PHE 149 Ca 0.04 -0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 1waf s PHE 149 Cb -0.13 -2.12 -0.01 0.00 0.51 0.00 0.00 43.02 41.27 1waf s PHE 149 CO -0.12 -0.13 -0.20 0.34 0.70 0.00 0.00 175.22 175.81 1waf s ASP 150 N 0.92 2.45 -0.24 1.36 -1.08 -1.11 -2.83 116.67 116.14 1waf s ASP 150 Ca 0.03 -0.39 -0.08 0.00 -0.52 0.00 0.00 52.55 51.59 1waf s ASP 150 Cb -0.14 -0.42 -0.03 0.00 -1.46 0.00 0.00 42.92 40.87 1waf s ASP 150 CO 0.02 0.23 0.08 -0.22 0.52 0.00 0.00 175.17 175.81 1waf s LEU 151 N -0.32 3.55 -0.01 -1.34 2.96 -1.19 0.18 118.68 122.51 1waf s LEU 151 Ca 0.04 -0.15 0.13 0.00 -0.22 0.00 0.00 54.13 53.93 1waf s LEU 151 Cb -0.10 -1.95 -0.21 0.00 0.50 0.00 0.00 46.19 44.44 1waf s LEU 151 CO 0.00 -0.01 0.72 -0.07 -1.32 0.00 0.00 176.35 175.68 1waf h LEU 152 N 8.06 0.00 -9.14 -0.68 3.38 -1.63 -3.46 115.31 111.85 1waf h LEU 152 Ca -0.37 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.91 1waf h LEU 152 Cb 1.18 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.74 1waf h LEU 152 CO 0.59 0.91 -0.70 0.20 0.09 0.00 0.00 178.44 179.53 1waf s ASN 153 N -6.05 4.65 -0.16 -0.43 0.01 -1.26 0.74 114.94 112.45 1waf s ASN 153 Ca -0.04 -0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 1waf s ASN 153 Cb 0.08 -1.15 0.13 0.00 0.41 0.00 0.00 41.25 40.72 1waf s ASN 153 CO 0.82 0.34 1.01 -0.55 -1.51 0.00 0.00 177.10 177.21 1waf s SER 154 N -1.00 -0.35 0.31 -1.22 0.15 -0.76 -4.80 113.70 106.02 1waf s SER 154 Ca 0.14 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.42 1waf s SER 154 Cb -0.11 0.29 1.08 0.00 -1.71 0.00 0.00 66.02 65.57 1waf s SER 154 CO 0.03 -0.33 1.75 1.55 1.20 0.00 0.00 173.24 177.44 1waf h PRO 155 N 2.53 0.00 -0.01 5.44 0.13 -2.02 0.23 132.00 138.30 1waf h PRO 155 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1waf h PRO 155 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1waf h PRO 155 CO 0.31 0.00 -0.16 0.66 -0.23 0.00 0.00 178.00 178.58 1waf n TYR 156 N -2.35 0.00 0.00 1.56 4.02 -1.26 -4.96 117.16 114.16 1waf n TYR 156 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1waf n TYR 156 Cb 0.21 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1waf n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1waf n GLY 157 N 1.28 4.24 3.25 2.72 0.00 0.81 -4.78 105.19 112.72 1waf n GLY 157 Ca 0.15 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1waf n GLY 157 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1waf s ASN 158 N 0.00 4.49 0.40 1.61 0.01 -1.25 -1.83 114.94 118.37 1waf s ASN 158 Ca 0.00 -0.74 0.07 0.00 -0.71 0.00 0.00 52.86 51.49 1waf s ASN 158 Cb 0.00 -1.73 -0.07 0.00 0.41 0.00 0.00 41.25 39.87 1waf s ASN 158 CO 0.00 -0.12 0.06 0.68 -1.51 0.00 0.00 177.10 176.21 1waf s VAL 159 N 1.40 2.19 0.58 1.60 -7.23 0.23 -4.97 120.40 114.19 1waf s VAL 159 Ca 0.02 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.18 1waf s VAL 159 Cb -0.16 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1waf s VAL 159 CO -0.03 -0.04 0.97 -1.61 -0.31 0.00 0.00 175.10 174.09 1waf s GLU 160 N -3.77 3.62 0.54 4.82 0.41 -1.26 -4.75 118.70 118.31 1waf s GLU 160 Ca 0.37 0.65 -0.09 0.00 -0.41 0.00 0.00 54.97 55.49 1waf s GLU 160 Cb 0.06 -2.15 0.14 0.00 -1.78 0.00 0.00 34.13 30.40 1waf s GLU 160 CO 0.20 -0.46 0.37 0.39 -0.49 0.00 0.00 175.26 175.27 1waf n GLU 161 N -2.51 -2.66 -5.05 1.61 1.02 -1.26 -4.92 120.64 106.86 1waf n GLU 161 Ca 0.05 -0.61 -0.32 0.00 -0.02 0.00 0.00 57.16 56.26 1waf n GLU 161 Cb 0.54 -0.70 -0.15 0.00 -0.02 0.00 0.00 31.44 31.11 1waf n GLU 161 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1waf s TRP 162 N -1.56 2.58 -0.47 -0.32 -0.00 -1.26 -4.90 118.94 113.02 1waf s TRP 162 Ca 0.27 -0.41 -0.21 0.00 -0.00 0.00 0.00 56.10 55.74 1waf s TRP 162 Cb -0.04 -1.62 0.03 0.00 -0.00 0.00 0.00 33.47 31.84 1waf s TRP 162 CO 0.22 -0.01 0.69 0.45 -0.00 0.00 0.00 176.95 178.29 1waf s SER 163 N -0.43 6.31 0.22 5.86 0.15 -1.26 -4.90 113.70 119.65 1waf s SER 163 Ca 0.05 -0.46 -0.13 0.00 0.70 0.00 0.00 55.95 56.10 1waf s SER 163 Cb -0.12 -2.33 0.27 0.00 -1.71 0.00 0.00 66.02 62.13 1waf s SER 163 CO 0.02 -0.87 1.61 0.40 1.20 0.00 0.00 173.24 175.60 1waf h ILE 164 N 5.90 0.29 -0.16 6.45 5.03 -1.99 0.15 117.51 133.18 1waf h ILE 164 Ca -0.26 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.43 1waf h ILE 164 Cb 1.09 0.29 -0.00 0.00 -3.03 0.00 0.00 36.82 35.17 1waf h ILE 164 CO 0.94 0.00 -0.11 1.05 -0.68 0.00 0.00 178.15 179.35 1waf h GLU 165 N -0.01 0.36 -0.84 2.37 9.09 -1.97 -1.69 114.58 121.90 1waf h GLU 165 Ca 0.33 -0.17 -0.02 0.00 0.05 0.00 0.00 59.36 59.55 1waf h GLU 165 Cb 0.51 -0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.57 1waf h GLU 165 CO -0.72 0.70 0.46 0.82 0.05 0.00 0.00 179.01 180.32 1waf h ILE 166 N 0.02 1.25 -0.40 -1.06 2.04 -1.69 0.68 117.51 118.35 1waf h ILE 166 Ca 0.03 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1waf h ILE 166 Cb 0.61 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1waf h ILE 166 CO 0.03 0.28 0.13 0.00 0.00 0.00 0.00 178.15 178.59 1waf h ALA 167 N 1.32 1.49 0.00 1.87 0.00 -0.64 -1.02 119.26 122.27 1waf h ALA 167 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1waf h ALA 167 Cb 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1waf h ALA 167 CO -0.05 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1waf n ALA 168 N -2.47 1.75 -1.94 0.00 0.00 0.17 -1.52 120.51 116.50 1waf n ALA 168 Ca 0.03 -0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 1waf n ALA 168 Cb 0.16 -1.25 0.14 0.00 0.00 0.00 0.00 19.45 18.50 1waf n ALA 168 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1waf s LYS 169 N -2.84 1.32 0.48 0.00 -0.14 -0.43 -4.73 119.74 113.41 1waf s LYS 169 Ca 0.10 -0.46 -0.02 0.00 -1.36 0.00 0.00 55.97 54.24 1waf s LYS 169 Cb 0.10 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 34.22 1waf s LYS 169 CO 0.26 -1.89 0.73 -0.51 -0.76 0.00 0.00 175.35 173.18 1waf s LEU 170 N -5.58 3.56 0.24 3.17 2.01 -1.26 -1.27 118.68 119.56 1waf s LEU 170 Ca 0.68 0.48 -0.14 0.00 0.01 0.00 0.00 54.13 55.17 1waf s LEU 170 Cb -0.06 -3.35 0.31 0.00 0.01 0.00 0.00 46.19 43.10 1waf s LEU 170 CO 0.49 -0.75 1.57 1.56 1.01 0.00 0.00 176.35 180.23 1waf h GLN 171 N 0.26 -0.02 0.00 1.70 1.08 -1.94 0.21 115.11 116.39 1waf h GLN 171 Ca -0.46 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.72 1waf h GLN 171 Cb 1.25 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1waf h GLN 171 CO 0.59 -0.01 -0.07 0.93 -0.95 0.00 0.00 178.83 179.31 1waf h GLU 172 N -0.02 0.00 -0.65 1.46 3.07 -1.94 0.16 114.58 116.65 1waf h GLU 172 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1waf h GLU 172 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1waf h GLU 172 CO -0.92 0.07 0.00 1.04 -1.40 0.00 0.00 179.01 177.80 1waf n GLN 173 N -3.86 2.65 -1.30 2.33 3.00 0.52 -4.81 117.38 115.92 1waf n GLN 173 Ca -0.02 -1.55 -0.10 0.00 -0.01 0.00 0.00 57.00 55.31 1waf n GLN 173 Cb 0.17 -1.70 -0.04 0.00 0.00 0.00 0.00 30.24 28.66 1waf n GLN 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1waf n GLY 174 N 0.58 1.10 3.79 1.08 0.00 0.04 -4.80 105.19 106.98 1waf n GLY 174 Ca 0.14 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1waf n GLY 174 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1waf s GLY 175 N -2.58 2.30 0.00 -0.02 0.00 -0.04 -4.83 107.32 102.14 1waf s GLY 175 Ca 0.00 0.54 0.29 0.00 0.00 0.00 0.00 44.72 45.55 1waf s GLY 175 CO 0.00 0.87 1.87 1.22 0.00 0.00 0.00 173.10 177.06 1waf n ASP 176 N -1.75 0.70 -1.30 1.64 8.00 -0.57 -3.95 116.55 119.32 1waf n ASP 176 Ca 0.10 -0.92 -0.17 0.00 0.71 0.00 0.00 54.79 54.51 1waf n ASP 176 Cb 0.52 -0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.53 1waf n ASP 176 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1waf n GLU 177 N -0.65 -1.19 -1.92 -1.24 -0.58 -0.39 -4.93 120.64 109.74 1waf n GLU 177 Ca 0.17 1.10 -0.42 0.00 -0.42 0.00 0.00 57.16 57.59 1waf n GLU 177 Cb 0.27 -5.32 -0.03 0.00 -0.57 0.00 0.00 31.44 25.79 1waf n GLU 177 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1waf s VAL 178 N -2.63 3.08 -0.05 2.62 1.01 -0.69 -4.92 120.40 118.82 1waf s VAL 178 Ca 0.00 0.48 -0.34 0.00 0.00 0.00 0.00 61.98 62.12 1waf s VAL 178 Cb 0.00 -3.31 -0.12 0.00 0.00 0.00 0.00 36.38 32.96 1waf s VAL 178 CO 0.00 -0.01 1.86 -2.65 0.00 0.00 0.00 175.10 174.30 1waf n PRO 179 N 5.84 2.25 -0.13 2.72 -0.02 -1.26 -4.70 135.00 139.70 1waf n PRO 179 Ca 0.16 0.82 -0.03 0.00 -2.02 0.00 0.00 63.50 62.43 1waf n PRO 179 Cb 0.41 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 1waf n PRO 179 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1waf n SER 180 N 6.41 -0.33 0.00 2.55 3.41 -1.26 -1.79 113.62 122.61 1waf n SER 180 Ca 0.22 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 60.03 1waf n SER 180 Cb 0.31 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1waf n SER 180 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1waf n GLU 181 N -3.69 0.00 -0.10 4.33 0.00 -1.26 -0.61 120.64 119.31 1waf n GLU 181 Ca 0.01 0.14 -0.20 0.00 0.00 0.00 0.00 57.16 57.10 1waf n GLU 181 Cb 0.08 -1.65 -0.07 0.00 0.00 0.00 0.00 31.44 29.80 1waf n GLU 181 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1waf n ILE 182 N -1.02 1.10 -0.16 3.84 5.41 -0.74 -4.79 119.36 123.00 1waf n ILE 182 Ca 0.00 -0.31 -0.03 0.00 1.00 0.00 0.00 62.75 63.41 1waf n ILE 182 Cb 0.15 -1.67 -0.02 0.00 -0.71 0.00 0.00 39.64 37.39 1waf n ILE 182 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1waf n ILE 183 N -3.75 -0.25 0.28 1.39 2.08 0.22 0.18 119.36 119.50 1waf n ILE 183 Ca -0.39 0.96 0.15 0.00 0.56 0.00 0.00 62.75 64.03 1waf n ILE 183 Cb 0.79 -1.21 0.81 0.00 -0.75 0.00 0.00 39.64 39.29 1waf n ILE 183 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1waf h ASP 184 N 0.00 0.00 -0.25 4.38 3.04 -1.88 -3.07 116.42 118.64 1waf h ASP 184 Ca 0.09 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.77 1waf h ASP 184 Cb 0.19 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.41 1waf h ASP 184 CO -0.38 0.08 0.13 0.29 -2.04 0.00 0.00 179.24 177.32 1waf n LYS 185 N -3.56 1.59 -3.74 4.15 5.02 0.47 -4.87 118.16 117.23 1waf n LYS 185 Ca -0.02 -0.87 -0.22 0.00 -2.02 0.00 0.00 58.31 55.18 1waf n LYS 185 Cb 0.20 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1waf n LYS 185 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1waf s ILE 186 N -1.12 2.85 -0.48 -0.18 1.09 -1.16 -1.74 121.20 120.46 1waf s ILE 186 Ca 0.16 -1.43 0.06 0.00 -1.10 0.00 0.00 60.65 58.34 1waf s ILE 186 Cb 0.13 -3.04 0.19 0.00 -1.06 0.00 0.00 42.46 38.68 1waf s ILE 186 CO 0.04 -0.06 0.61 -0.38 -0.10 0.00 0.00 174.94 175.05 1waf n ILE 187 N -1.43 -0.43 -2.49 2.92 5.41 -0.50 -4.77 119.36 118.07 1waf n ILE 187 Ca 0.01 -1.97 -0.39 0.00 1.00 0.00 0.00 62.75 61.41 1waf n ILE 187 Cb 0.62 0.05 -0.04 0.00 -0.71 0.00 0.00 39.64 39.55 1waf n ILE 187 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1waf s TYR 188 N 0.49 3.41 -0.29 1.39 6.14 -1.26 -1.65 117.35 125.58 1waf s TYR 188 Ca 0.31 1.67 0.03 0.00 0.64 0.00 0.00 57.07 59.72 1waf s TYR 188 Cb 0.04 -3.23 0.19 0.00 0.42 0.00 0.00 41.96 39.38 1waf s TYR 188 CO -0.12 -0.64 0.54 -1.64 0.64 0.00 0.00 175.55 174.33 1waf s MET 189 N -1.96 0.52 0.44 4.97 -1.94 -0.08 -4.93 119.30 116.32 1waf s MET 189 Ca 0.51 0.54 -0.06 0.00 -1.71 0.00 0.00 55.69 54.98 1waf s MET 189 Cb -0.28 0.14 -0.04 0.00 2.01 0.00 0.00 34.83 36.66 1waf s MET 189 CO 0.35 -0.94 0.75 -1.25 -0.01 0.00 0.00 175.02 173.92 1waf s PRO 190 N 2.75 3.59 0.13 2.03 0.04 -1.26 -2.74 135.00 139.55 1waf s PRO 190 Ca 0.12 0.21 0.02 0.00 0.04 0.00 0.00 61.00 61.39 1waf s PRO 190 Cb -0.12 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1waf s PRO 190 CO -0.25 -0.12 -0.04 -0.06 0.04 0.00 0.00 177.00 176.56 1waf s PHE 191 N -2.60 1.03 -0.04 0.56 0.40 0.13 -4.88 117.98 112.59 1waf s PHE 191 Ca 0.47 -0.94 -0.06 0.00 -0.60 0.00 0.00 56.93 55.81 1waf s PHE 191 Cb -0.10 -0.58 -0.29 0.00 0.51 0.00 0.00 43.02 42.56 1waf s PHE 191 CO 0.41 -0.15 0.70 -0.44 0.70 0.00 0.00 175.22 176.43 1waf h ASP 192 N 2.86 0.47 -4.95 1.36 5.19 -1.95 -1.89 116.42 117.50 1waf h ASP 192 Ca -0.36 -0.73 -0.18 0.00 -0.62 0.00 0.00 57.03 55.14 1waf h ASP 192 Cb 1.18 -0.15 -0.15 0.00 0.18 0.00 0.00 39.33 40.39 1waf h ASP 192 CO 0.64 1.62 -0.68 0.54 -3.12 0.00 0.00 179.24 178.24 1waf s ASN 193 N -7.07 0.78 0.20 6.45 2.20 -1.26 -4.06 114.94 112.18 1waf s ASN 193 Ca -0.13 -1.04 -0.11 0.00 -0.94 0.00 0.00 52.86 50.64 1waf s ASN 193 Cb 0.06 0.16 0.17 0.00 -2.00 0.00 0.00 41.25 39.65 1waf s ASN 193 CO 0.84 -0.56 1.84 -0.08 -2.94 0.00 0.00 177.10 176.21 1waf h GLU 194 N 3.01 0.80 0.10 3.55 4.81 -1.93 -2.21 114.58 122.72 1waf h GLU 194 Ca -0.35 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1waf h GLU 194 Cb 1.16 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1waf h GLU 194 CO 0.64 0.53 -0.21 0.87 -0.73 0.00 0.00 179.01 180.12 1waf h LYS 195 N 0.83 -0.32 -0.99 1.92 1.57 -1.99 -0.81 116.57 116.78 1waf h LYS 195 Ca 0.27 0.02 0.28 0.00 -1.87 0.00 0.00 60.65 59.35 1waf h LYS 195 Cb 0.01 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.26 1waf h LYS 195 CO -0.10 -0.21 0.54 0.93 -0.57 0.00 0.00 179.45 180.04 1waf h GLU 196 N -0.33 0.40 0.09 3.15 5.08 -1.96 0.41 114.58 121.41 1waf h GLU 196 Ca -0.01 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1waf h GLU 196 Cb 0.32 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1waf h GLU 196 CO -0.08 0.26 -0.08 1.25 -1.00 0.00 0.00 179.01 179.36 1waf h LEU 197 N 0.41 -0.21 0.23 1.33 7.12 -0.68 -2.30 115.31 121.21 1waf h LEU 197 Ca 0.68 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.71 1waf h LEU 197 Cb 1.44 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 41.60 1waf h LEU 197 CO -0.56 -0.11 -0.48 -0.07 -0.13 0.00 0.00 178.44 177.09 1waf h LEU 198 N -0.17 -1.41 -0.93 2.25 3.38 -0.10 -1.34 115.31 117.00 1waf h LEU 198 Ca -0.01 0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.26 1waf h LEU 198 Cb 0.14 0.51 -0.16 0.00 0.09 0.00 0.00 40.66 41.24 1waf h LEU 198 CO -0.00 -0.57 -0.32 0.80 0.09 0.00 0.00 178.44 178.44 1waf n MET 199 N -5.50 -0.17 0.25 1.13 1.56 0.03 0.13 117.12 114.56 1waf n MET 199 Ca -0.09 1.43 -0.16 0.00 -0.27 0.00 0.00 57.70 58.61 1waf n MET 199 Cb 0.42 -2.13 -0.08 0.00 2.15 0.00 0.00 33.22 33.57 1waf n MET 199 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1waf h GLU 200 N 0.00 -0.57 -0.91 2.12 4.22 -0.95 -1.24 114.58 117.25 1waf h GLU 200 Ca 0.36 0.04 0.19 0.00 0.08 0.00 0.00 59.36 60.03 1waf h GLU 200 Cb 0.60 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.87 1waf h GLU 200 CO -0.93 -0.38 0.48 -0.92 -2.18 0.00 0.00 179.01 175.08 1waf h TYR 201 N -0.59 0.83 0.28 0.92 3.20 0.11 0.68 116.97 122.39 1waf h TYR 201 Ca -0.06 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.85 1waf h TYR 201 Cb 0.46 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1waf h TYR 201 CO -0.05 0.11 -0.41 1.25 -1.64 0.00 0.00 178.16 177.42 1waf h LEU 202 N 0.58 -1.17 -1.04 2.82 7.12 0.21 0.60 115.31 124.43 1waf h LEU 202 Ca 0.54 0.11 0.11 0.00 0.13 0.00 0.00 57.88 58.77 1waf h LEU 202 Cb 0.89 0.42 -0.08 0.00 -0.53 0.00 0.00 40.66 41.35 1waf h LEU 202 CO -0.43 -0.53 0.63 0.78 -0.13 0.00 0.00 178.44 178.76 1waf h ASN 203 N -0.75 0.93 -0.37 1.25 2.35 0.92 0.38 115.58 120.28 1waf h ASN 203 Ca -0.01 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1waf h ASN 203 Cb 0.71 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 1waf h ASN 203 CO -0.15 0.51 0.15 0.15 -1.65 0.00 0.00 177.43 176.44 1waf h PHE 204 N 1.00 0.27 0.44 1.19 3.57 0.15 -2.11 116.94 121.46 1waf h PHE 204 Ca 0.48 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.98 1waf h PHE 204 Cb 0.45 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1waf h PHE 204 CO -0.00 0.13 -0.21 2.35 -2.23 0.00 0.00 178.31 178.34 1waf h TRP 205 N 0.32 -0.55 0.00 0.41 7.01 0.39 0.54 115.95 124.07 1waf h TRP 205 Ca 0.17 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1waf h TRP 205 Cb 0.12 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1waf h TRP 205 CO -0.13 -0.25 0.19 1.96 -2.79 0.00 0.00 178.44 177.43 1waf h GLN 206 N -0.81 0.00 0.00 2.65 4.20 -0.44 -1.78 115.11 118.93 1waf h GLN 206 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1waf h GLN 206 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1waf h GLN 206 CO 0.10 0.00 -0.12 0.37 -0.67 0.00 0.00 178.83 178.51 1waf h GLN 207 N 0.00 0.00 -4.54 1.46 4.15 -1.02 -3.40 115.11 111.76 1waf h GLN 207 Ca 0.00 0.00 -0.74 0.00 0.77 0.00 0.00 58.65 58.68 1waf h GLN 207 Cb 0.39 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 27.88 1waf h GLN 207 CO 0.00 0.00 0.99 0.15 -1.93 0.00 0.00 178.83 178.04 1waf s LYS 208 N -1.31 3.96 -0.25 1.69 1.02 0.15 -4.97 119.74 120.02 1waf s LYS 208 Ca -0.04 -2.50 -0.27 0.00 0.02 0.00 0.00 55.97 53.18 1waf s LYS 208 Cb 0.00 -4.90 0.01 0.00 -0.52 0.00 0.00 37.83 32.42 1waf s LYS 208 CO 0.05 -1.64 0.96 0.99 -0.92 0.00 0.00 175.35 174.79 1waf s THR 209 N 1.23 4.72 0.95 2.17 2.01 -0.73 -4.53 115.64 121.45 1waf s THR 209 Ca 0.37 1.78 -0.11 0.00 0.31 0.00 0.00 61.69 64.04 1waf s THR 209 Cb -0.05 -4.25 0.16 0.00 0.01 0.00 0.00 72.50 68.37 1waf s THR 209 CO -0.04 -0.19 1.10 -2.84 -0.69 0.00 0.00 174.62 171.96 1waf s PRO 210 N 3.12 0.77 -0.03 4.92 0.02 -1.26 -4.90 135.00 137.63 1waf s PRO 210 Ca 0.40 1.20 -0.04 0.00 0.02 0.00 0.00 61.00 62.58 1waf s PRO 210 Cb -0.15 -1.72 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1waf s PRO 210 CO 0.08 -2.68 -0.10 0.28 -0.33 0.00 0.00 177.00 174.25 1waf n VAL 211 N -4.24 0.80 -4.19 3.83 0.31 0.00 -4.85 118.33 110.00 1waf n VAL 211 Ca 0.08 0.08 -0.34 0.00 -0.01 0.00 0.00 64.34 64.15 1waf n VAL 211 Cb 0.53 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.68 1waf n VAL 211 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1waf s ILE 212 N -2.19 4.48 -0.17 2.52 1.01 -0.95 -0.08 121.20 125.82 1waf s ILE 212 Ca -0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1waf s ILE 212 Cb 0.03 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1waf s ILE 212 CO 0.13 0.51 -0.13 -0.22 0.00 0.00 0.00 174.94 175.23 1waf s LEU 213 N -0.01 2.56 0.35 2.97 1.98 -0.76 0.06 118.68 125.84 1waf s LEU 213 Ca 0.04 -0.46 0.03 0.00 -2.89 0.00 0.00 54.13 50.86 1waf s LEU 213 Cb -0.13 -1.60 -0.05 0.00 0.66 0.00 0.00 46.19 45.08 1waf s LEU 213 CO 0.02 0.06 0.09 -0.89 -1.89 0.00 0.00 176.35 173.73 1waf s THR 214 N 0.99 0.86 -2.97 3.68 2.01 0.19 -0.82 115.64 119.58 1waf s THR 214 Ca -0.02 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 59.98 1waf s THR 214 Cb -0.15 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.78 1waf s THR 214 CO -0.02 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1waf n GLY 215 N -0.75 -0.74 2.91 4.40 0.00 -1.26 -3.01 105.19 106.73 1waf n GLY 215 Ca -0.04 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 1waf n GLY 215 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1waf s TRP 216 N -3.00 2.19 -1.09 1.61 -0.11 -1.26 -1.61 118.94 115.67 1waf s TRP 216 Ca 0.00 -1.63 0.00 0.00 1.22 0.00 0.00 56.10 55.69 1waf s TRP 216 Cb 0.00 -1.50 0.00 0.00 -1.50 0.00 0.00 33.47 30.47 1waf s TRP 216 CO 0.00 -0.75 0.00 0.09 -4.62 0.00 0.00 176.95 171.67 1waf n ASN 217 N 4.73 -4.01 -0.28 5.86 3.02 -1.26 -4.90 115.26 118.42 1waf n ASN 217 Ca -0.11 0.11 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 1waf n ASN 217 Cb 0.44 -2.95 0.06 0.00 -0.61 0.00 0.00 39.78 36.72 1waf n ASN 217 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1waf h VAL 218 N 0.00 1.25 0.28 2.41 3.04 -1.92 0.23 116.25 121.55 1waf h VAL 218 Ca -0.26 -0.77 -0.01 0.00 -1.01 0.00 0.00 66.70 64.65 1waf h VAL 218 Cb 1.03 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1waf h VAL 218 CO 0.34 0.32 -0.14 -0.08 -1.01 0.00 0.00 177.57 177.00 1waf h GLU 219 N 1.12 -0.36 -0.87 4.17 4.81 -1.94 -0.17 114.58 121.33 1waf h GLU 219 Ca 0.26 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1waf h GLU 219 Cb 0.18 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1waf h GLU 219 CO -0.03 -0.07 0.48 0.66 -0.73 0.00 0.00 179.01 179.32 1waf h SER 220 N -1.00 1.08 0.00 1.04 4.64 -1.87 -3.40 113.55 114.04 1waf h SER 220 Ca -0.04 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1waf h SER 220 Cb 0.46 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1waf h SER 220 CO 0.06 0.86 -0.01 0.33 -0.87 0.00 0.00 176.83 177.21 1waf n PHE 221 N -4.37 0.00 0.00 4.77 7.35 0.80 -4.75 117.46 121.27 1waf n PHE 221 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1waf n PHE 221 Cb 0.09 -0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.92 1waf n PHE 221 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1waf n ASP 222 N -2.54 0.00 -0.30 -2.13 8.00 -1.08 -2.37 116.55 116.14 1waf n ASP 222 Ca -0.00 0.96 0.02 0.00 0.71 0.00 0.00 54.79 56.49 1waf n ASP 222 Cb 0.00 -0.46 0.10 0.00 -0.02 0.00 0.00 41.12 40.74 1waf n ASP 222 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1waf h ILE 223 N 0.00 0.14 0.54 0.53 2.04 -1.30 -1.29 117.51 118.17 1waf h ILE 223 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1waf h ILE 223 Cb 0.00 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1waf h ILE 223 CO 0.00 0.00 -0.26 -0.65 0.00 0.00 0.00 178.15 177.24 1waf h PRO 224 N -0.01 -0.70 -0.55 2.37 0.11 -1.76 -2.99 132.00 128.47 1waf h PRO 224 Ca 0.39 0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.60 1waf h PRO 224 Cb 0.61 0.16 -0.08 0.00 0.11 0.00 0.00 31.00 31.80 1waf h PRO 224 CO -0.87 -0.45 -0.44 -0.92 -0.21 0.00 0.00 178.00 175.11 1waf h TYR 225 N -0.76 -1.39 0.00 0.65 5.03 -0.87 0.04 116.97 119.67 1waf h TYR 225 Ca -0.07 0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1waf h TYR 225 Cb 0.57 0.68 0.00 0.00 1.55 0.00 0.00 36.73 39.53 1waf h TYR 225 CO -0.03 -0.33 0.00 0.28 -1.32 0.00 0.00 178.16 176.76 1waf n VAL 226 N -4.74 0.00 -0.27 1.81 0.31 -0.88 -0.43 118.33 114.13 1waf n VAL 226 Ca -0.00 1.26 -0.07 0.00 -0.01 0.00 0.00 64.34 65.52 1waf n VAL 226 Cb 0.23 -1.71 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 1waf n VAL 226 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1waf n TYR 227 N -2.62 -0.28 0.00 3.52 9.36 -0.31 -0.59 117.16 126.24 1waf n TYR 227 Ca 0.00 0.80 0.00 0.00 3.32 0.00 0.00 57.90 62.02 1waf n TYR 227 Cb 0.00 -0.54 0.00 0.00 -0.63 0.00 0.00 39.34 38.17 1waf n TYR 227 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1waf n ASN 228 N -4.48 0.00 -0.26 2.98 3.02 -0.15 -1.76 115.26 114.60 1waf n ASN 228 Ca 0.01 0.79 -0.07 0.00 -0.03 0.00 0.00 54.58 55.28 1waf n ASN 228 Cb 0.17 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 1waf n ASN 228 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1waf n ARG 229 N -1.70 -0.27 -0.07 3.52 3.00 0.43 -0.02 116.66 121.56 1waf n ARG 229 Ca 0.00 0.92 -0.07 0.00 -0.00 0.00 0.00 57.85 58.70 1waf n ARG 229 Cb 0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 32.46 31.05 1waf n ARG 229 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1waf h ILE 230 N 0.00 0.00 -1.16 5.15 2.04 -0.75 0.32 117.51 123.11 1waf h ILE 230 Ca 0.10 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.29 1waf h ILE 230 Cb 0.25 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.24 1waf h ILE 230 CO -0.57 0.00 0.77 0.50 0.00 0.00 0.00 178.15 178.84 1waf h LYS 231 N -0.22 0.23 -0.41 2.37 3.64 0.40 0.94 116.57 123.52 1waf h LYS 231 Ca 0.04 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1waf h LYS 231 Cb 0.32 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1waf h LYS 231 CO -0.31 0.15 0.09 -0.91 -2.27 0.00 0.00 179.45 176.21 1waf h ASN 232 N 0.24 0.62 -0.01 4.20 -0.26 0.19 3.23 115.58 123.78 1waf h ASN 232 Ca 0.66 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 56.16 1waf h ASN 232 Cb 1.97 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 39.07 1waf h ASN 232 CO -0.28 0.70 -0.77 2.30 -1.06 0.00 0.00 177.43 178.32 1waf n ILE 233 N -4.55 0.00 0.00 2.81 -5.35 0.12 -4.47 119.36 107.92 1waf n ILE 233 Ca -0.00 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1waf n ILE 233 Cb 0.21 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 1waf n ILE 233 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1waf n PHE 234 N -0.86 0.00 0.00 4.28 3.01 0.30 -5.10 117.46 119.09 1waf n PHE 234 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1waf n PHE 234 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 1waf n PHE 234 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1waf n GLY 235 N 2.12 0.94 0.41 1.37 0.00 1.07 -4.66 105.19 106.44 1waf n GLY 235 Ca 0.00 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1waf n GLY 235 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1waf h GLU 236 N 0.00 -0.59 -0.68 1.61 4.81 -1.91 -1.92 114.58 115.91 1waf h GLU 236 Ca 0.00 0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.49 1waf h GLU 236 Cb 0.00 0.13 -0.12 0.00 0.63 0.00 0.00 28.75 29.39 1waf h GLU 236 CO 0.00 -0.39 0.12 0.43 -0.73 0.00 0.00 179.01 178.44 1waf n SER 237 N -5.46 0.02 0.01 1.04 7.64 -1.26 0.20 113.62 115.82 1waf n SER 237 Ca -0.06 1.14 -0.08 0.00 1.01 0.00 0.00 58.87 60.88 1waf n SER 237 Cb 0.37 -0.46 -0.13 0.00 -1.01 0.00 0.00 64.21 62.98 1waf n SER 237 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1waf h THR 238 N 0.00 1.20 -0.57 0.44 1.03 -1.76 -3.25 112.91 110.00 1waf h THR 238 Ca 0.46 -2.99 -0.06 0.00 -0.01 0.00 0.00 66.41 63.80 1waf h THR 238 Cb 1.05 2.60 -0.02 0.00 -1.07 0.00 0.00 68.15 70.71 1waf h THR 238 CO -0.60 0.69 0.10 0.00 -0.01 0.00 0.00 175.52 175.70 1waf h ALA 239 N 0.98 1.09 -0.87 0.00 0.00 0.32 -2.35 119.26 118.42 1waf h ALA 239 Ca -0.17 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.64 1waf h ALA 239 Cb 1.92 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 1waf h ALA 239 CO 0.10 0.59 0.57 0.87 0.00 0.00 0.00 179.25 181.38 1waf h LYS 240 N 0.87 0.62 0.00 0.00 1.57 -0.06 -1.31 116.57 118.26 1waf h LYS 240 Ca 0.18 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1waf h LYS 240 Cb 0.37 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1waf h LYS 240 CO 0.01 0.41 0.12 0.54 -0.57 0.00 0.00 179.45 179.96 1waf n ARG 241 N -4.55 0.00 0.23 3.15 1.74 -0.88 -0.50 116.66 115.84 1waf n ARG 241 Ca 0.17 0.23 0.15 0.00 -0.77 0.00 0.00 57.85 57.63 1waf n ARG 241 Cb 0.49 -1.62 0.56 0.00 -1.02 0.00 0.00 32.46 30.87 1waf n ARG 241 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1waf h LEU 242 N 0.00 0.00 -9.78 0.55 6.46 -1.41 -3.43 115.31 107.70 1waf h LEU 242 Ca 0.00 0.00 -0.62 0.00 -0.12 0.00 0.00 57.88 57.14 1waf h LEU 242 Cb 0.24 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.12 1waf h LEU 242 CO 0.00 0.00 -0.35 -0.55 -0.62 0.00 0.00 178.44 176.92 1waf s SER 243 N -5.34 6.53 0.35 1.25 0.15 0.34 -4.98 113.70 112.00 1waf s SER 243 Ca 0.03 0.62 0.03 0.00 0.70 0.00 0.00 55.95 57.32 1waf s SER 243 Cb 0.09 -2.11 0.62 0.00 -1.71 0.00 0.00 66.02 62.91 1waf s SER 243 CO 0.53 0.25 1.97 1.55 1.20 0.00 0.00 173.24 178.73 1waf h PRO 244 N 4.00 0.75 -0.46 5.44 0.13 -1.83 0.16 132.00 140.19 1waf h PRO 244 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1waf h PRO 244 Cb 1.20 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1waf h PRO 244 CO 0.66 0.56 0.00 0.72 -0.23 0.00 0.00 178.00 179.70 1waf n HIS 245 N -4.40 0.61 -4.28 1.56 8.25 -1.26 -4.92 115.22 110.80 1waf n HIS 245 Ca 0.05 -0.31 -0.38 0.00 -0.26 0.00 0.00 57.72 56.83 1waf n HIS 245 Cb 0.10 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.17 1waf n HIS 245 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1waf n ARG 246 N 1.05 -2.52 -4.33 -0.41 1.74 0.55 -4.94 116.66 107.81 1waf n ARG 246 Ca 0.18 0.31 -0.24 0.00 -0.77 0.00 0.00 57.85 57.33 1waf n ARG 246 Cb 0.47 -5.00 -0.13 0.00 -1.02 0.00 0.00 32.46 26.78 1waf n ARG 246 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1waf s LYS 247 N -6.98 1.15 0.03 5.56 2.36 -1.26 -4.81 119.74 115.79 1waf s LYS 247 Ca 0.76 -1.13 -0.27 0.00 -2.55 0.00 0.00 55.97 52.78 1waf s LYS 247 Cb -0.42 -1.40 0.09 0.00 -1.05 0.00 0.00 37.83 35.05 1waf s LYS 247 CO 0.94 0.33 0.77 -0.08 1.55 0.00 0.00 175.35 178.86 1waf s THR 248 N -1.12 0.00 -0.01 3.43 -1.32 -1.26 -3.36 115.64 112.00 1waf s THR 248 Ca 0.06 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.58 1waf s THR 248 Cb -0.10 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.88 1waf s THR 248 CO 0.04 0.00 -0.11 -0.60 -2.21 0.00 0.00 174.62 171.74 1waf s ARG 249 N -2.89 0.92 -0.09 7.08 3.52 -1.21 -5.04 118.95 121.24 1waf s ARG 249 Ca 0.01 -0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 55.17 1waf s ARG 249 Cb -0.01 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.46 1waf s ARG 249 CO -0.07 0.24 0.07 0.08 -0.81 0.00 0.00 175.30 174.81 1waf s VAL 250 N -0.26 4.83 -0.06 7.11 1.01 -1.26 -1.40 120.40 130.38 1waf s VAL 250 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1waf s VAL 250 Cb -0.04 -3.08 0.03 0.00 0.00 0.00 0.00 36.38 33.28 1waf s VAL 250 CO -0.00 0.58 -0.01 -0.54 0.00 0.00 0.00 175.10 175.13 1waf s LYS 251 N -1.04 0.63 0.18 2.72 1.02 -1.15 -4.99 119.74 117.11 1waf s LYS 251 Ca 0.15 0.04 -0.03 0.00 0.02 0.00 0.00 55.97 56.15 1waf s LYS 251 Cb -0.12 -0.86 -0.05 0.00 -0.52 0.00 0.00 37.83 36.28 1waf s LYS 251 CO 0.04 -0.21 0.40 0.08 -0.92 0.00 0.00 175.35 174.74 1waf s VAL 252 N 1.52 5.17 0.33 3.17 1.01 -1.26 -0.59 120.40 129.74 1waf s VAL 252 Ca -0.02 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1waf s VAL 252 Cb -0.13 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 1waf s VAL 252 CO -0.03 -0.08 0.03 -0.63 0.00 0.00 0.00 175.10 174.39 1waf s ILE 253 N -1.79 1.37 0.00 2.22 1.01 0.25 -4.94 121.20 119.32 1waf s ILE 253 Ca 0.40 -2.02 0.00 0.00 0.00 0.00 0.00 60.65 59.04 1waf s ILE 253 Cb -0.12 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.59 1waf s ILE 253 CO 0.27 -0.05 0.00 -0.62 0.00 0.00 0.00 174.94 174.54 1waf n GLU 254 N -0.71 1.00 0.00 2.79 4.71 -1.26 -3.71 120.64 123.46 1waf n GLU 254 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1waf n GLU 254 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.09 1waf n GLU 254 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1waf n ASN 255 N -1.00 0.00 -0.23 1.62 2.85 -1.26 -4.73 115.26 112.51 1waf n ASN 255 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1waf n ASN 255 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1waf n ASN 255 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1waf n MET 256 N 0.00 0.23 0.00 1.20 2.81 -1.26 -3.53 117.12 116.57 1waf n MET 256 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1waf n MET 256 Cb 0.00 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1waf n MET 256 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1waf n TYR 257 N -0.09 0.00 0.00 2.03 4.01 -1.26 -4.76 117.16 117.09 1waf n TYR 257 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1waf n TYR 257 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1waf n TYR 257 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1waf n GLY 258 N 4.43 0.39 3.42 2.72 0.00 -1.23 -5.06 105.19 109.87 1waf n GLY 258 Ca 0.00 -1.27 -0.51 0.00 0.00 0.00 0.00 46.02 44.23 1waf n GLY 258 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1waf n SER 259 N 0.00 1.92 -3.54 1.61 3.41 -1.26 -4.38 113.62 111.39 1waf n SER 259 Ca 0.00 0.41 -0.29 0.00 -0.26 0.00 0.00 58.87 58.73 1waf n SER 259 Cb 0.00 -1.22 -0.15 0.00 -0.26 0.00 0.00 64.21 62.58 1waf n SER 259 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1waf s ARG 260 N 6.32 0.25 0.18 4.33 0.52 -1.24 -4.99 118.95 124.31 1waf s ARG 260 Ca 1.11 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 55.68 1waf s ARG 260 Cb -0.93 -1.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1waf s ARG 260 CO 0.50 -1.04 0.37 -1.21 0.02 0.00 0.00 175.30 173.94 1waf s GLU 261 N 1.97 3.52 -0.23 3.54 2.02 -1.26 -0.58 118.70 127.68 1waf s GLU 261 Ca 0.10 -0.34 -0.04 0.00 0.02 0.00 0.00 54.97 54.71 1waf s GLU 261 Cb -0.17 -2.86 0.08 0.00 0.10 0.00 0.00 34.13 31.28 1waf s GLU 261 CO -0.32 0.43 0.08 0.96 0.02 0.00 0.00 175.26 176.43 1waf s ILE 262 N -1.82 0.24 0.29 -1.63 -5.25 0.24 -4.82 121.20 108.45 1waf s ILE 262 Ca 0.38 -0.60 -0.29 0.00 -0.99 0.00 0.00 60.65 59.15 1waf s ILE 262 Cb -0.11 -0.96 -0.10 0.00 2.95 0.00 0.00 42.46 44.24 1waf s ILE 262 CO 0.28 -0.42 1.12 -0.63 -1.79 0.00 0.00 174.94 173.50 1waf s ILE 263 N 1.97 3.41 -0.43 8.37 1.09 -1.26 -2.93 121.20 131.41 1waf s ILE 263 Ca 0.04 1.40 -0.07 0.00 -1.10 0.00 0.00 60.65 60.92 1waf s ILE 263 Cb -0.17 -3.89 0.10 0.00 -1.06 0.00 0.00 42.46 37.45 1waf s ILE 263 CO -0.18 0.32 0.26 0.42 -0.10 0.00 0.00 174.94 175.67 1waf s THR 264 N -1.18 3.86 -0.34 2.92 -4.23 -0.49 -4.98 115.64 111.19 1waf s THR 264 Ca 0.45 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 58.91 1waf s THR 264 Cb -0.32 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.00 1waf s THR 264 CO 0.42 -0.65 1.39 -0.76 -0.54 0.00 0.00 174.62 174.47 1waf s LEU 265 N 1.30 3.75 -0.45 4.79 1.43 -1.26 -3.28 118.68 124.96 1waf s LEU 265 Ca 0.05 1.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.97 1waf s LEU 265 Cb -0.24 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1waf s LEU 265 CO -0.01 -1.26 2.17 -0.36 0.23 0.00 0.00 176.35 177.12 1waf s PHE 266 N 4.96 1.31 0.00 0.29 0.08 -1.21 -2.82 117.98 120.59 1waf s PHE 266 Ca 0.60 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.74 1waf s PHE 266 Cb -0.16 -3.83 0.00 0.00 -0.57 0.00 0.00 43.02 38.46 1waf s PHE 266 CO 0.28 -2.82 0.00 0.41 -0.10 0.00 0.00 175.22 172.99 1waf n GLY 267 N 5.82 1.47 3.25 4.36 0.00 -1.26 -3.99 105.19 114.85 1waf n GLY 267 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1waf n GLY 267 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1waf s ILE 268 N -2.00 -0.36 -0.39 -0.61 -4.36 -1.13 -4.80 121.20 107.55 1waf s ILE 268 Ca 0.00 0.14 -0.28 0.00 -0.26 0.00 0.00 60.65 60.25 1waf s ILE 268 Cb 0.00 -0.63 0.02 0.00 1.25 0.00 0.00 42.46 43.10 1waf s ILE 268 CO 0.00 0.06 1.07 -0.44 0.24 0.00 0.00 174.94 175.87 1waf s SER 269 N 2.08 6.77 -0.20 4.36 0.01 0.88 -4.76 113.70 122.83 1waf s SER 269 Ca -0.05 0.73 -0.15 0.00 1.31 0.00 0.00 55.95 57.79 1waf s SER 269 Cb -0.10 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 1waf s SER 269 CO -0.12 -1.01 0.35 -0.69 0.41 0.00 0.00 173.24 172.17 1waf s VAL 270 N 3.91 5.23 -0.42 3.43 1.01 -1.26 -1.82 120.40 130.49 1waf s VAL 270 Ca 0.45 0.61 0.02 0.00 0.00 0.00 0.00 61.98 63.06 1waf s VAL 270 Cb -0.10 -3.68 0.12 0.00 0.00 0.00 0.00 36.38 32.72 1waf s VAL 270 CO 0.22 0.28 0.19 -0.76 0.00 0.00 0.00 175.10 175.03 1waf s LEU 271 N 1.17 3.17 0.11 3.92 1.43 -0.00 -4.82 118.68 123.66 1waf s LEU 271 Ca 0.17 -2.45 -0.31 0.00 -1.03 0.00 0.00 54.13 50.51 1waf s LEU 271 Cb -0.14 -1.19 -0.10 0.00 0.03 0.00 0.00 46.19 44.79 1waf s LEU 271 CO 0.07 -0.30 1.74 -0.62 0.23 0.00 0.00 176.35 177.47 1waf s ASP 272 N 0.55 6.49 0.43 2.29 -1.08 -1.26 -4.40 116.67 119.69 1waf s ASP 272 Ca 0.15 2.66 0.10 0.00 -0.52 0.00 0.00 52.55 54.94 1waf s ASP 272 Cb -0.23 -2.57 0.94 0.00 -1.46 0.00 0.00 42.92 39.61 1waf s ASP 272 CO -0.06 -0.95 2.05 0.22 0.52 0.00 0.00 175.17 176.95 1waf h TYR 273 N 8.29 0.45 0.42 -5.34 3.20 -1.65 -1.94 116.97 120.39 1waf h TYR 273 Ca -0.44 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 1waf h TYR 273 Cb 1.21 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 1waf h TYR 273 CO 0.77 0.27 -0.41 0.97 -1.64 0.00 0.00 178.16 178.11 1waf h ILE 274 N 0.47 0.00 0.26 1.81 2.10 -1.88 0.14 117.51 120.41 1waf h ILE 274 Ca 0.17 0.00 0.01 0.00 1.08 0.00 0.00 64.86 66.12 1waf h ILE 274 Cb 0.11 0.00 -0.04 0.00 -1.09 0.00 0.00 36.82 35.80 1waf h ILE 274 CO -0.04 0.00 -0.47 0.44 -1.08 0.00 0.00 178.15 176.99 1waf h ASP 275 N -0.83 -1.37 -1.56 2.19 3.32 -1.87 0.23 116.42 116.54 1waf h ASP 275 Ca -0.05 0.13 0.45 0.00 0.02 0.00 0.00 57.03 57.58 1waf h ASP 275 Cb 0.71 0.49 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 1waf h ASP 275 CO -0.05 -0.57 1.26 0.25 -1.72 0.00 0.00 179.24 178.41 1waf h LEU 276 N -0.81 0.00 0.02 1.55 5.85 -1.22 0.20 115.31 120.90 1waf h LEU 276 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1waf h LEU 276 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1waf h LEU 276 CO -0.18 0.00 -0.01 0.22 -0.34 0.00 0.00 178.44 178.12 1waf h TYR 277 N 0.00 -0.03 -1.74 1.25 3.20 0.23 -3.26 116.97 116.62 1waf h TYR 277 Ca 0.74 -0.00 0.51 0.00 3.14 0.00 0.00 58.73 63.12 1waf h TYR 277 Cb 3.26 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 41.47 1waf h TYR 277 CO 0.00 -0.02 1.25 1.63 -1.64 0.00 0.00 178.16 179.38 1waf n LYS 278 N -2.43 -0.00 0.03 1.82 5.02 0.65 0.16 118.16 123.41 1waf n LYS 278 Ca -0.00 0.95 -0.03 0.00 -2.02 0.00 0.00 58.31 57.21 1waf n LYS 278 Cb 0.01 -2.20 -0.02 0.00 -0.02 0.00 0.00 35.03 32.81 1waf n LYS 278 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1waf h LYS 279 N 0.00 -0.18 -0.00 1.97 1.79 -1.55 -3.39 116.57 115.21 1waf h LYS 279 Ca 0.83 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.31 1waf h LYS 279 Cb 3.33 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 34.02 1waf h LYS 279 CO -0.01 -0.10 -0.21 1.19 -1.08 0.00 0.00 179.45 179.24 1waf n PHE 280 N -4.90 0.00 -0.13 -1.35 3.01 -0.23 -4.29 117.46 109.58 1waf n PHE 280 Ca -0.03 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.38 1waf n PHE 280 Cb 0.08 -0.19 0.01 0.00 -0.01 0.00 0.00 39.48 39.37 1waf n PHE 280 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1waf h SER 281 N 0.67 -0.71 -1.60 4.37 4.64 -0.47 -3.45 113.55 116.99 1waf h SER 281 Ca 0.00 0.16 -0.25 0.00 -0.47 0.00 0.00 61.79 61.23 1waf h SER 281 Cb 0.44 0.38 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 1waf h SER 281 CO 0.00 -0.24 -0.31 0.49 -0.87 0.00 0.00 176.83 175.90 1waf n PHE 282 N -5.39 -0.50 -3.39 4.77 3.72 -1.26 -4.97 117.46 110.44 1waf n PHE 282 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 1waf n PHE 282 Cb 0.30 -2.73 -0.09 0.00 -0.94 0.00 0.00 39.48 36.02 1waf n PHE 282 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1waf s THR 283 N -2.61 -0.54 0.33 4.37 -4.23 -1.26 -5.13 115.64 106.57 1waf s THR 283 Ca 0.00 -0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.15 1waf s THR 283 Cb 0.00 -0.78 -0.10 0.00 1.34 0.00 0.00 72.50 72.96 1waf s THR 283 CO 0.00 -0.13 1.30 0.21 -0.54 0.00 0.00 174.62 175.46 1waf s ASN 284 N 2.50 6.78 0.11 3.99 3.84 -1.26 -5.03 114.94 125.88 1waf s ASN 284 Ca 0.11 2.68 0.06 0.00 0.21 0.00 0.00 52.86 55.91 1waf s ASN 284 Cb -0.15 -2.65 -0.04 0.00 -0.55 0.00 0.00 41.25 37.86 1waf s ASN 284 CO -0.15 -0.53 -0.14 -1.58 -2.79 0.00 0.00 177.10 171.91 1waf s GLN 285 N -1.74 0.99 -0.02 0.43 2.00 -1.26 -5.09 119.66 114.96 1waf s GLN 285 Ca 0.49 -1.18 -0.04 0.00 -2.00 0.00 0.00 55.36 52.63 1waf s GLN 285 Cb -0.40 -0.90 -0.28 0.00 0.80 0.00 0.00 33.01 32.24 1waf s GLN 285 CO 0.52 0.18 0.75 -1.00 -0.50 0.00 0.00 175.29 175.24 1waf h PRO 286 N 3.68 0.26 -4.05 1.67 0.13 -1.96 -3.48 132.00 128.26 1waf h PRO 286 Ca -0.40 -0.45 -0.13 0.00 -0.87 0.00 0.00 66.00 64.15 1waf h PRO 286 Cb 1.19 0.17 -0.16 0.00 0.13 0.00 0.00 31.00 32.33 1waf h PRO 286 CO 0.48 1.12 -0.61 0.45 -0.23 0.00 0.00 178.00 179.21 1waf s SER 287 N -6.99 0.34 -0.11 1.44 0.15 -1.26 -4.69 113.70 102.58 1waf s SER 287 Ca -0.12 -0.77 0.15 0.00 0.70 0.00 0.00 55.95 55.91 1waf s SER 287 Cb 0.07 0.21 0.25 0.00 -1.71 0.00 0.00 66.02 64.83 1waf s SER 287 CO 0.84 -0.55 1.13 -1.22 1.20 0.00 0.00 173.24 174.65 1waf n TYR 288 N 0.48 0.00 -1.64 3.44 4.01 -1.26 -4.80 117.16 117.38 1waf n TYR 288 Ca -0.17 -0.86 -0.51 0.00 -0.16 0.00 0.00 57.90 56.21 1waf n TYR 288 Cb 0.60 -0.14 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 1waf n TYR 288 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1waf n SER 289 N -1.13 2.39 -0.24 7.72 3.41 -1.26 -4.77 113.62 119.74 1waf n SER 289 Ca 0.13 1.08 -0.06 0.00 -0.26 0.00 0.00 58.87 59.76 1waf n SER 289 Cb 0.66 -1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 63.29 1waf n SER 289 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1waf n LEU 290 N 3.80 -0.62 0.23 1.04 7.94 -1.26 -0.29 117.00 127.83 1waf n LEU 290 Ca 0.20 1.16 0.11 0.00 -1.11 0.00 0.00 56.01 56.37 1waf n LEU 290 Cb 0.22 -0.20 0.61 0.00 0.53 0.00 0.00 43.42 44.59 1waf n LEU 290 CO 0.67 -0.91 0.93 -2.24 -1.11 0.00 0.00 177.39 174.74 1waf h ASP 291 N 0.00 0.00 0.09 1.96 2.03 -1.87 -0.87 116.42 117.76 1waf h ASP 291 Ca 0.09 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.27 1waf h ASP 291 Cb 0.24 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.75 1waf h ASP 291 CO -0.55 0.00 -0.54 0.22 -1.03 0.00 0.00 179.24 177.35 1waf h TYR 292 N 0.00 0.37 -0.34 4.15 3.20 -0.98 -2.90 116.97 120.47 1waf h TYR 292 Ca 0.00 -0.26 -0.16 0.00 3.14 0.00 0.00 58.73 61.45 1waf h TYR 292 Cb 0.42 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1waf h TYR 292 CO 0.00 1.19 -0.40 0.82 -1.64 0.00 0.00 178.16 178.13 1waf h ILE 293 N -0.55 1.28 0.00 1.81 5.03 -1.09 -2.35 117.51 121.64 1waf h ILE 293 Ca -0.09 -1.58 -0.02 0.00 -0.12 0.00 0.00 64.86 63.05 1waf h ILE 293 Cb 1.41 1.44 -0.00 0.00 -3.03 0.00 0.00 36.82 36.63 1waf h ILE 293 CO 0.10 0.52 -0.10 0.77 -0.68 0.00 0.00 178.15 178.76 1waf h SER 294 N 0.68 0.00 0.00 1.72 4.64 -1.49 0.66 113.55 119.77 1waf h SER 294 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1waf h SER 294 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1waf h SER 294 CO 0.09 0.10 0.00 1.21 -0.87 0.00 0.00 176.83 177.37 1waf n GLU 295 N -3.79 0.00 -0.30 4.77 4.07 -0.94 -0.73 120.64 123.72 1waf n GLU 295 Ca -0.02 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.15 1waf n GLU 295 Cb 0.21 -0.84 0.16 0.00 -0.06 0.00 0.00 31.44 30.91 1waf n GLU 295 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1waf n PHE 296 N -0.49 0.38 0.12 4.31 7.35 -0.93 0.35 117.46 128.55 1waf n PHE 296 Ca 0.00 1.04 -0.02 0.00 -0.76 0.00 0.00 57.45 57.71 1waf n PHE 296 Cb 0.00 -1.04 0.06 0.00 0.35 0.00 0.00 39.48 38.84 1waf n PHE 296 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1waf h GLU 297 N 0.00 0.00 0.00 -4.13 4.39 0.24 -3.36 114.58 111.72 1waf h GLU 297 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1waf h GLU 297 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1waf h GLU 297 CO -0.86 0.70 0.00 1.28 -1.16 0.00 0.00 179.01 178.98 1waf n LEU 298 N -3.47 0.58 0.00 1.33 4.77 0.47 -5.02 117.00 115.66 1waf n LEU 298 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1waf n LEU 298 Cb 0.75 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1waf n LEU 298 CO 0.43 0.14 0.00 0.59 -1.33 0.00 0.00 177.39 177.22 1waf n ASN 299 N -0.13 0.00 -0.24 -1.43 3.02 1.06 -4.79 115.26 112.76 1waf n ASN 299 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 1waf n ASN 299 Cb 0.37 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1waf n ASN 299 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1waf n VAL 300 N 0.00 -0.36 0.00 2.41 0.24 -1.26 -4.63 118.33 114.73 1waf n VAL 300 Ca 0.00 1.41 0.00 0.00 -2.04 0.00 0.00 64.34 63.71 1waf n VAL 300 Cb 0.00 -1.79 0.00 0.00 -1.47 0.00 0.00 33.84 30.58 1waf n VAL 300 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1waf n GLY 301 N -1.20 0.99 3.37 7.63 0.00 -1.26 -4.95 105.19 109.76 1waf n GLY 301 Ca 0.03 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.37 1waf n GLY 301 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1waf s LYS 302 N 0.00 1.19 -0.11 1.61 2.20 -1.26 -4.53 119.74 118.84 1waf s LYS 302 Ca 0.00 -1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 54.20 1waf s LYS 302 Cb 0.00 0.40 -0.07 0.00 -1.51 0.00 0.00 37.83 36.65 1waf s LYS 302 CO 0.00 -0.45 2.07 -1.17 -0.36 0.00 0.00 175.35 175.44 1waf s LEU 303 N -2.95 3.91 -0.14 5.43 2.96 -1.26 -4.92 118.68 121.71 1waf s LEU 303 Ca 0.15 2.22 -0.26 0.00 -0.22 0.00 0.00 54.13 56.03 1waf s LEU 303 Cb 0.03 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 1waf s LEU 303 CO -0.01 -1.51 0.83 -0.54 -1.32 0.00 0.00 176.35 173.80 1waf s LYS 304 N 5.41 4.34 0.32 1.98 1.02 -1.26 -5.03 119.74 126.51 1waf s LYS 304 Ca 0.93 1.04 0.02 0.00 0.02 0.00 0.00 55.97 57.99 1waf s LYS 304 Cb -0.37 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.39 1waf s LYS 304 CO 0.38 -0.26 0.08 2.48 -0.92 0.00 0.00 175.35 177.11 1waf n TYR 305 N 4.94 0.29 -4.32 3.18 0.18 -1.26 -5.16 117.16 115.02 1waf n TYR 305 Ca 0.04 -1.91 -0.22 0.00 1.88 0.00 0.00 57.90 57.69 1waf n TYR 305 Cb 0.49 -0.06 -0.12 0.00 -0.38 0.00 0.00 39.34 39.27 1waf n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1waf s ASP 306 N -2.90 2.61 0.18 9.48 1.11 -1.26 -5.05 116.67 120.84 1waf s ASP 306 Ca 0.11 -0.82 0.00 0.00 0.18 0.00 0.00 52.55 52.03 1waf s ASP 306 Cb 0.01 -0.15 0.00 0.00 1.07 0.00 0.00 42.92 43.85 1waf s ASP 306 CO 0.08 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 177.02 1waf n GLY 307 N 0.50 -2.05 3.43 0.21 0.00 -1.26 -4.46 105.19 101.56 1waf n GLY 307 Ca -0.15 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1waf n GLY 307 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1waf n PRO 308 N -2.23 -2.56 0.00 1.61 -0.02 -1.26 -4.85 135.00 125.69 1waf n PRO 308 Ca 0.00 -0.72 0.14 0.00 -2.02 0.00 0.00 63.50 60.90 1waf n PRO 308 Cb 0.25 -2.10 0.60 0.00 -0.02 0.00 0.00 33.50 32.23 1waf n PRO 308 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1waf n ILE 309 N -5.00 0.00 -0.02 4.25 0.00 -1.26 -2.96 119.36 114.37 1waf n ILE 309 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 62.75 62.70 1waf n ILE 309 Cb 0.55 -0.25 -0.13 0.00 0.00 0.00 0.00 39.64 39.82 1waf n ILE 309 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1waf n SER 310 N -1.24 0.63 0.10 9.51 3.41 -1.26 -4.37 113.62 120.40 1waf n SER 310 Ca 0.11 0.29 -0.05 0.00 -0.26 0.00 0.00 58.87 58.96 1waf n SER 310 Cb 0.29 0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 1waf n SER 310 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1waf h LYS 311 N 0.00 -0.30 0.00 4.33 1.79 -1.88 -3.40 116.57 117.11 1waf h LYS 311 Ca -0.29 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 1waf h LYS 311 Cb 1.87 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.58 1waf h LYS 311 CO 0.05 -0.20 0.00 -0.11 -1.08 0.00 0.00 179.45 178.11 1waf n LEU 312 N -3.81 0.00 0.07 2.94 0.00 -1.16 -0.19 117.00 114.85 1waf n LEU 312 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.86 1waf n LEU 312 Cb 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.49 1waf n LEU 312 CO 0.09 0.00 0.77 -0.09 0.00 0.00 0.00 177.39 178.16 1waf h ARG 313 N 0.00 -0.25 0.52 1.96 2.43 -1.82 0.66 114.38 117.88 1waf h ARG 313 Ca 0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1waf h ARG 313 Cb 0.00 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1waf h ARG 313 CO 0.00 -0.16 -0.25 1.49 -1.51 0.00 0.00 179.97 179.54 1waf h GLU 314 N -0.26 -0.67 0.00 0.20 4.81 -0.84 0.80 114.58 118.62 1waf h GLU 314 Ca 0.04 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1waf h GLU 314 Cb 0.30 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1waf h GLU 314 CO -0.12 -0.44 0.00 -1.13 -0.73 0.00 0.00 179.01 176.58 1waf n SER 315 N -3.97 0.00 0.00 1.04 3.41 -1.16 -3.98 113.62 108.96 1waf n SER 315 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1waf n SER 315 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1waf n SER 315 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1waf n ASN 316 N -0.96 0.00 0.09 4.04 2.85 0.23 -4.91 115.26 116.59 1waf n ASN 316 Ca 0.00 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.66 1waf n ASN 316 Cb 0.00 0.00 0.61 0.00 1.24 0.00 0.00 39.78 41.63 1waf n ASN 316 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 1waf h HIS 317 N 0.00 0.00 0.52 1.20 -0.00 -0.77 -2.19 115.15 113.91 1waf h HIS 317 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1waf h HIS 317 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1waf h HIS 317 CO 0.00 0.00 -0.25 0.37 -0.00 0.00 0.00 177.93 178.05 1waf h GLN 318 N 0.00 -0.67 -0.82 5.26 5.75 -1.88 -1.54 115.11 121.22 1waf h GLN 318 Ca 0.21 0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 1waf h GLN 318 Cb 1.56 0.15 -0.04 0.00 1.07 0.00 0.00 27.48 30.23 1waf h GLN 318 CO -0.00 -0.45 0.38 -0.09 -2.65 0.00 0.00 178.83 176.01 1waf h ARG 319 N -0.71 1.18 -0.65 1.69 2.43 -1.78 -1.73 114.38 114.81 1waf h ARG 319 Ca -0.07 -0.18 0.14 0.00 -0.81 0.00 0.00 59.98 59.06 1waf h ARG 319 Cb 0.54 -0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 29.77 1waf h ARG 319 CO 0.12 0.92 0.04 -0.92 -1.51 0.00 0.00 179.97 178.61 1waf h TYR 320 N 1.17 0.02 0.00 2.20 5.03 -1.34 0.19 116.97 124.24 1waf h TYR 320 Ca 0.28 0.05 -0.12 0.00 2.58 0.00 0.00 58.73 61.52 1waf h TYR 320 Cb 0.14 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 1waf h TYR 320 CO 0.02 -0.15 -0.55 0.82 -1.32 0.00 0.00 178.16 176.97 1waf h ILE 321 N 0.15 1.12 0.32 1.81 5.03 -0.80 -2.79 117.51 122.35 1waf h ILE 321 Ca 0.35 -2.09 -0.02 0.00 -0.12 0.00 0.00 64.86 62.98 1waf h ILE 321 Cb 0.57 2.22 0.00 0.00 -3.03 0.00 0.00 36.82 36.59 1waf h ILE 321 CO -0.53 0.54 -0.15 0.28 -0.68 0.00 0.00 178.15 177.60 1waf h SER 322 N 0.00 -0.36 -0.76 1.72 0.02 0.09 -3.28 113.55 110.98 1waf h SER 322 Ca -0.01 -0.13 0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1waf h SER 322 Cb 1.18 0.09 -0.13 0.00 0.14 0.00 0.00 62.40 63.68 1waf h SER 322 CO 0.07 0.10 -0.39 0.22 -1.14 0.00 0.00 176.83 175.69 1waf h TYR 323 N -1.02 -1.12 -0.74 3.45 3.20 -0.83 0.20 116.97 120.10 1waf h TYR 323 Ca -0.04 0.09 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1waf h TYR 323 Cb 0.47 0.60 -0.12 0.00 1.54 0.00 0.00 36.73 39.21 1waf h TYR 323 CO 0.03 -0.40 -0.27 -1.71 -1.64 0.00 0.00 178.16 174.17 1waf n ASN 324 N -5.43 -0.44 0.39 -2.11 4.05 -1.05 0.21 115.26 110.87 1waf n ASN 324 Ca 0.06 1.30 -0.15 0.00 0.45 0.00 0.00 54.58 56.23 1waf n ASN 324 Cb 0.37 -0.32 -0.07 0.00 1.23 0.00 0.00 39.78 40.99 1waf n ASN 324 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1waf h ILE 325 N 0.00 0.00 -0.64 -1.44 2.04 -0.71 -2.85 117.51 113.91 1waf h ILE 325 Ca 0.28 -0.04 0.12 0.00 1.00 0.00 0.00 64.86 66.22 1waf h ILE 325 Cb 0.47 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.43 1waf h ILE 325 CO -0.75 0.00 -0.17 -0.38 0.00 0.00 0.00 178.15 176.85 1waf n ILE 326 N -4.76 -0.28 -0.04 -0.67 2.08 0.13 0.45 119.36 116.27 1waf n ILE 326 Ca -0.12 1.47 -0.07 0.00 0.56 0.00 0.00 62.75 64.59 1waf n ILE 326 Cb 0.39 -2.02 -0.05 0.00 -0.75 0.00 0.00 39.64 37.21 1waf n ILE 326 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 1waf h ASP 327 N 0.00 -0.88 -0.71 4.38 5.19 -0.70 0.96 116.42 124.66 1waf h ASP 327 Ca 0.29 0.11 0.16 0.00 -0.62 0.00 0.00 57.03 56.97 1waf h ASP 327 Cb 0.45 0.35 -0.13 0.00 0.18 0.00 0.00 39.33 40.19 1waf h ASP 327 CO -0.65 -0.21 -0.03 0.58 -3.12 0.00 0.00 179.24 175.81 1waf h VAL 328 N -0.23 0.37 -0.27 -1.35 2.07 0.04 0.83 116.25 117.70 1waf h VAL 328 Ca 0.03 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1waf h VAL 328 Cb 0.31 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1waf h VAL 328 CO -0.25 0.02 0.18 0.22 0.02 0.00 0.00 177.57 177.75 1waf h TYR 329 N 0.09 0.34 -0.55 1.57 3.20 0.13 -1.94 116.97 119.82 1waf h TYR 329 Ca 0.38 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.36 1waf h TYR 329 Cb 0.64 -0.12 -0.11 0.00 1.54 0.00 0.00 36.73 38.69 1waf h TYR 329 CO -0.43 0.22 -0.25 0.00 -1.64 0.00 0.00 178.16 176.06 1waf h ARG 330 N 0.37 -0.11 0.19 1.82 -0.00 0.33 0.13 114.38 117.10 1waf h ARG 330 Ca 0.10 0.01 0.01 0.00 -0.50 0.00 0.00 59.98 59.59 1waf h ARG 330 Cb -0.04 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 29.91 1waf h ARG 330 CO -0.02 -0.07 -0.53 0.28 0.00 0.00 0.00 179.97 179.63 1waf h VAL 331 N -0.12 0.01 -0.89 2.04 2.07 -0.86 -0.99 116.25 117.51 1waf h VAL 331 Ca 0.25 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.92 1waf h VAL 331 Cb 0.51 0.01 -0.15 0.00 -1.52 0.00 0.00 31.29 30.13 1waf h VAL 331 CO -0.62 0.00 -0.31 0.18 0.02 0.00 0.00 177.57 176.83 1waf n LEU 332 N -5.50 -0.51 -0.30 2.57 7.99 0.27 0.20 117.00 121.72 1waf n LEU 332 Ca -0.09 1.55 0.00 0.00 -0.01 0.00 0.00 56.01 57.46 1waf n LEU 332 Cb 0.42 -0.39 0.13 0.00 -0.11 0.00 0.00 43.42 43.48 1waf n LEU 332 CO 0.18 -1.42 1.19 1.56 -1.51 0.00 0.00 177.39 177.39 1waf h GLN 333 N 0.00 0.94 0.05 3.23 4.20 -0.47 0.24 115.11 123.31 1waf h GLN 333 Ca 0.34 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 1waf h GLN 333 Cb 0.57 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1waf h GLN 333 CO -0.89 0.62 -0.03 0.82 -0.67 0.00 0.00 178.83 178.68 1waf h ILE 334 N 0.97 1.24 -0.33 2.54 2.04 0.37 -2.44 117.51 121.90 1waf h ILE 334 Ca 0.36 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.27 1waf h ILE 334 Cb 0.14 1.91 -0.08 0.00 -0.74 0.00 0.00 36.82 38.05 1waf h ILE 334 CO -0.16 0.25 -0.20 -0.78 0.00 0.00 0.00 178.15 177.26 1waf h ASP 335 N -0.53 -0.68 -0.89 1.72 3.58 -0.63 0.46 116.42 119.45 1waf h ASP 335 Ca -0.01 0.14 0.26 0.00 0.42 0.00 0.00 57.03 57.84 1waf h ASP 335 Cb 0.47 0.35 -0.04 0.00 1.72 0.00 0.00 39.33 41.84 1waf h ASP 335 CO 0.01 -0.24 0.71 0.00 -2.88 0.00 0.00 179.24 176.85 1waf h ALA 336 N 1.02 2.77 0.02 -0.78 0.00 -0.93 2.89 119.26 124.25 1waf h ALA 336 Ca 0.17 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.68 1waf h ALA 336 Cb 0.42 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1waf h ALA 336 CO -0.43 -1.17 -2.29 0.36 0.00 0.00 0.00 179.25 175.72 1waf n LYS 337 N -4.01 0.68 -0.04 0.00 -0.00 0.14 -4.42 118.16 110.52 1waf n LYS 337 Ca 0.19 0.14 -0.08 0.00 -0.00 0.00 0.00 58.31 58.55 1waf n LYS 337 Cb 1.02 -1.58 -0.14 0.00 -0.00 0.00 0.00 35.03 34.33 1waf n LYS 337 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1waf n ARG 338 N -3.12 0.65 -0.98 -1.58 3.00 0.09 -5.00 116.66 109.71 1waf n ARG 338 Ca -0.37 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1waf n ARG 338 Cb 1.06 -1.72 0.00 0.00 0.00 0.00 0.00 32.46 31.79 1waf n ARG 338 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1waf n GLN 339 N -2.94 -1.08 -0.30 -0.14 1.13 0.96 -4.94 117.38 110.07 1waf n GLN 339 Ca -0.20 0.27 -0.06 0.00 -1.94 0.00 0.00 57.00 55.07 1waf n GLN 339 Cb 1.05 -4.12 -0.04 0.00 0.11 0.00 0.00 30.24 27.24 1waf n GLN 339 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1waf n PHE 340 N -2.40 -0.21 -0.10 1.08 3.72 -1.26 -1.10 117.46 117.19 1waf n PHE 340 Ca 0.00 0.90 -0.06 0.00 -0.05 0.00 0.00 57.45 58.25 1waf n PHE 340 Cb 0.27 -0.62 0.01 0.00 -0.94 0.00 0.00 39.48 38.19 1waf n PHE 340 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1waf h ILE 341 N 0.00 0.56 -0.32 4.37 2.04 -1.92 -0.74 117.51 121.50 1waf h ILE 341 Ca 0.16 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 1waf h ILE 341 Cb 0.34 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 1waf h ILE 341 CO -0.69 0.00 -0.15 -1.13 0.00 0.00 0.00 178.15 176.17 1waf h ASN 342 N -0.06 -0.52 -0.36 1.72 -1.24 -1.49 -2.58 115.58 111.04 1waf h ASN 342 Ca 0.18 0.12 0.04 0.00 0.71 0.00 0.00 56.30 57.35 1waf h ASN 342 Cb 0.33 0.29 -0.06 0.00 0.73 0.00 0.00 38.32 39.61 1waf h ASN 342 CO -0.40 -0.19 -0.34 0.25 -1.29 0.00 0.00 177.43 175.46 1waf h LEU 343 N -0.10 -1.19 -0.96 0.34 6.46 -0.83 -0.77 115.31 118.25 1waf h LEU 343 Ca 0.16 0.16 0.20 0.00 -0.12 0.00 0.00 57.88 58.29 1waf h LEU 343 Cb 0.35 0.50 -0.18 0.00 -0.73 0.00 0.00 40.66 40.60 1waf h LEU 343 CO -0.39 -0.21 -0.21 0.28 -0.62 0.00 0.00 178.44 177.30 1waf h SER 344 N -0.16 -0.84 -0.02 1.25 0.02 -0.88 0.18 113.55 113.10 1waf h SER 344 Ca 0.06 0.29 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1waf h SER 344 Cb 0.32 0.58 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1waf h SER 344 CO -0.43 -0.32 -0.16 -0.07 -1.14 0.00 0.00 176.83 174.71 1waf h LEU 345 N 0.00 -0.50 -0.93 5.07 4.07 -0.81 0.37 115.31 122.59 1waf h LEU 345 Ca 0.48 0.06 0.11 0.00 0.08 0.00 0.00 57.88 58.61 1waf h LEU 345 Cb 0.76 0.19 -0.13 0.00 1.08 0.00 0.00 40.66 42.56 1waf h LEU 345 CO -0.98 -0.15 -0.46 -0.67 -1.08 0.00 0.00 178.44 175.10 1waf n ASP 346 N -3.39 -0.80 0.31 -0.43 2.03 0.40 0.95 116.55 115.62 1waf n ASP 346 Ca -0.02 1.63 -0.17 0.00 0.52 0.00 0.00 54.79 56.75 1waf n ASP 346 Cb 0.11 -0.29 -0.09 0.00 -0.72 0.00 0.00 41.12 40.14 1waf n ASP 346 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1waf h MET 347 N 0.00 -0.87 0.00 -0.67 4.05 -0.41 0.53 114.93 117.56 1waf h MET 347 Ca 0.23 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1waf h MET 347 Cb 0.46 0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1waf h MET 347 CO -0.90 -0.58 -0.01 0.78 0.23 0.00 0.00 176.91 176.43 1waf h GLY 348 N -0.90 0.00 1.36 1.39 0.00 0.15 -1.32 103.07 103.75 1waf h GLY 348 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.00 1waf h GLY 348 CO 0.02 0.00 -1.45 -0.97 0.00 0.00 0.00 176.54 174.15 1waf h TYR 349 N 0.00 0.11 0.26 5.60 0.05 0.13 -1.34 116.97 121.78 1waf h TYR 349 Ca -0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 1waf h TYR 349 Cb 0.14 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1waf h TYR 349 CO 0.00 1.10 -0.13 -0.92 -1.05 0.00 0.00 178.16 177.17 1waf h TYR 350 N 0.02 -0.32 0.00 4.88 3.20 0.12 -2.93 116.97 121.93 1waf h TYR 350 Ca -0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1waf h TYR 350 Cb 1.93 0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.31 1waf h TYR 350 CO 0.02 -0.20 0.00 0.00 -1.64 0.00 0.00 178.16 176.33 1waf n ALA 351 N -2.21 1.70 -3.46 1.82 0.00 -0.80 -4.87 120.51 112.68 1waf n ALA 351 Ca -0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1waf n ALA 351 Cb 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1waf n ALA 351 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1waf n LYS 352 N -1.19 -1.43 -3.93 0.00 5.02 -1.00 -4.47 118.16 111.17 1waf n LYS 352 Ca 0.05 1.07 -0.09 0.00 -2.02 0.00 0.00 58.31 57.33 1waf n LYS 352 Cb 0.06 -3.94 -0.09 0.00 -0.02 0.00 0.00 35.03 31.04 1waf n LYS 352 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1waf s ILE 353 N -3.02 0.15 0.03 -0.18 2.07 -0.54 -4.81 121.20 114.91 1waf s ILE 353 Ca 0.03 -1.24 -0.35 0.00 -1.41 0.00 0.00 60.65 57.67 1waf s ILE 353 Cb -0.01 -1.15 -0.14 0.00 0.13 0.00 0.00 42.46 41.29 1waf s ILE 353 CO 0.83 -0.69 1.64 0.00 -1.91 0.00 0.00 174.94 174.81 1waf n GLN 354 N 0.39 1.87 -0.30 3.50 6.02 -1.26 -4.65 117.38 122.95 1waf n GLN 354 Ca -0.17 0.68 -0.06 0.00 -0.01 0.00 0.00 57.00 57.44 1waf n GLN 354 Cb 0.60 -2.44 -0.01 0.00 1.02 0.00 0.00 30.24 29.41 1waf n GLN 354 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1waf h ILE 355 N 4.24 0.05 -0.06 5.09 1.08 -1.87 0.07 117.51 126.11 1waf h ILE 355 Ca -0.47 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.02 1waf h ILE 355 Cb 1.28 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 35.08 1waf h ILE 355 CO 0.89 0.00 0.16 0.06 -0.69 0.00 0.00 178.15 178.57 1waf h GLN 356 N -0.10 0.00 -1.50 2.37 -0.00 -1.90 -2.57 115.11 111.41 1waf h GLN 356 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 1waf h GLN 356 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.03 1waf h GLN 356 CO -0.84 0.00 0.00 0.43 -0.00 0.00 0.00 178.83 178.42 1waf n SER 357 N -3.33 2.78 -0.05 0.06 7.64 0.01 -1.81 113.62 118.93 1waf n SER 357 Ca -0.01 -1.66 -0.02 0.00 1.01 0.00 0.00 58.87 58.19 1waf n SER 357 Cb 0.24 -0.52 -0.15 0.00 -1.01 0.00 0.00 64.21 62.77 1waf n SER 357 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1waf n VAL 358 N 0.95 0.92 1.53 0.44 3.14 -0.97 -3.91 118.33 120.43 1waf n VAL 358 Ca 0.00 -0.71 0.05 0.00 -2.96 0.00 0.00 64.34 60.72 1waf n VAL 358 Cb 0.37 -0.38 0.32 0.00 -1.06 0.00 0.00 33.84 33.09 1waf n VAL 358 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1waf n PHE 359 N -2.63 0.00 -3.57 1.45 3.72 -0.75 -4.46 117.46 111.22 1waf n PHE 359 Ca -0.19 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.96 1waf n PHE 359 Cb 0.91 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.30 1waf n PHE 359 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1waf s SER 360 N -1.57 2.20 0.26 4.37 0.15 -1.25 -4.99 113.70 112.87 1waf s SER 360 Ca 0.16 -0.58 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 1waf s SER 360 Cb 0.07 -0.09 0.29 0.00 -1.71 0.00 0.00 66.02 64.58 1waf s SER 360 CO 0.12 -0.35 1.91 -0.65 1.20 0.00 0.00 173.24 175.47 1waf h PRO 361 N 8.39 1.24 -0.04 5.44 0.11 -1.87 -1.98 132.00 143.30 1waf h PRO 361 Ca -0.16 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1waf h PRO 361 Cb 1.14 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1waf h PRO 361 CO 0.30 0.86 -0.14 0.82 -0.21 0.00 0.00 178.00 179.63 1waf h ILE 362 N 1.27 0.00 -0.56 4.15 1.08 -1.91 0.34 117.51 121.87 1waf h ILE 362 Ca 0.33 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.90 1waf h ILE 362 Cb -0.08 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.56 1waf h ILE 362 CO -0.07 0.00 -0.33 0.50 -0.69 0.00 0.00 178.15 177.56 1waf h LYS 363 N -0.15 -0.17 0.00 2.37 3.11 -1.85 -0.10 116.57 119.78 1waf h LYS 363 Ca 0.01 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1waf h LYS 363 Cb 0.18 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1waf h LYS 363 CO -0.11 -0.11 0.00 2.41 -2.81 0.00 0.00 179.45 178.83 1waf n THR 364 N -5.43 0.00 -0.30 1.00 -1.04 -0.76 -2.41 114.28 105.34 1waf n THR 364 Ca 0.04 1.41 -0.03 0.00 -2.04 0.00 0.00 64.05 63.43 1waf n THR 364 Cb 0.35 -2.35 0.02 0.00 -1.82 0.00 0.00 70.33 66.54 1waf n THR 364 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 1waf h TRP 365 N 0.00 -1.02 -0.79 -1.42 -0.00 -0.14 0.52 115.95 113.09 1waf h TRP 365 Ca 0.00 0.09 0.13 0.00 -0.00 0.00 0.00 58.89 59.11 1waf h TRP 365 Cb 0.00 0.57 -0.14 0.00 -0.00 0.00 0.00 29.16 29.59 1waf h TRP 365 CO 0.07 -0.40 -0.36 0.22 -0.00 0.00 0.00 178.44 177.98 1waf h ASP 366 N -0.07 -1.28 -0.16 -3.49 3.58 -1.06 0.27 116.42 114.22 1waf h ASP 366 Ca 0.29 0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.98 1waf h ASP 366 Cb 0.58 0.66 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 1waf h ASP 366 CO -0.85 -0.30 0.01 0.00 -2.88 0.00 0.00 179.24 175.22 1waf h ALA 367 N 1.21 1.55 0.20 -0.78 0.00 0.28 0.57 119.26 122.29 1waf h ALA 367 Ca 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1waf h ALA 367 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1waf h ALA 367 CO -0.83 0.33 -0.09 0.82 0.00 0.00 0.00 179.25 179.47 1waf h ILE 368 N 0.37 0.88 0.19 0.00 2.04 0.18 -2.35 117.51 118.83 1waf h ILE 368 Ca 0.09 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1waf h ILE 368 Cb 0.23 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1waf h ILE 368 CO 0.00 0.10 -0.09 0.40 0.00 0.00 0.00 178.15 178.56 1waf h ILE 369 N -0.48 0.89 -0.71 -0.67 2.04 -0.97 0.24 117.51 117.84 1waf h ILE 369 Ca -0.03 -0.41 0.15 0.00 1.00 0.00 0.00 64.86 65.57 1waf h ILE 369 Cb 0.36 1.13 -0.13 0.00 -0.74 0.00 0.00 36.82 37.44 1waf h ILE 369 CO 0.04 0.09 -0.12 0.15 0.00 0.00 0.00 178.15 178.32 1waf h PHE 370 N -0.46 -0.28 -0.13 1.37 3.57 -0.96 0.69 116.94 120.74 1waf h PHE 370 Ca -0.03 0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1waf h PHE 370 Cb 0.35 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1waf h PHE 370 CO -0.01 -0.28 -0.36 -0.91 -2.23 0.00 0.00 178.31 174.52 1waf h ASN 371 N 0.03 0.28 0.32 0.41 2.35 -1.17 0.08 115.58 117.88 1waf h ASN 371 Ca 0.36 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1waf h ASN 371 Cb 0.57 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1waf h ASN 371 CO -0.70 0.63 -0.15 -1.28 -1.65 0.00 0.00 177.43 174.27 1waf h SER 372 N 0.24 -0.36 -0.48 5.81 0.87 0.23 -2.81 113.55 117.04 1waf h SER 372 Ca 0.03 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1waf h SER 372 Cb 0.75 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1waf h SER 372 CO 0.06 -0.19 0.22 -0.07 -0.53 0.00 0.00 176.83 176.31 1waf h LEU 373 N -0.52 0.67 -0.03 2.23 4.07 -0.13 -3.14 115.31 118.47 1waf h LEU 373 Ca -0.04 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1waf h LEU 373 Cb 0.39 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1waf h LEU 373 CO 0.07 0.60 -0.04 0.50 -1.08 0.00 0.00 178.44 178.49 1waf h LYS 374 N 0.74 -0.03 -4.17 1.13 3.64 -0.71 0.01 116.57 117.17 1waf h LYS 374 Ca 0.18 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.87 1waf h LYS 374 Cb 0.13 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1waf h LYS 374 CO -0.02 -0.02 2.94 -0.85 -2.27 0.00 0.00 179.45 179.23 1waf n GLU 375 N -2.91 2.63 0.00 1.90 -0.00 -1.18 -0.71 120.64 120.38 1waf n GLU 375 Ca -0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 57.16 54.65 1waf n GLU 375 Cb 0.03 -3.24 0.00 0.00 -0.00 0.00 0.00 31.44 28.23 1waf n GLU 375 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1waf n GLN 376 N 6.37 0.00 -1.48 3.44 7.27 -0.66 -4.98 117.38 127.34 1waf n GLN 376 Ca 0.51 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 57.42 1waf n GLN 376 Cb 0.40 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.97 1waf n GLN 376 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1waf n ASN 377 N 0.00 -5.15 -4.72 1.69 3.02 0.12 -4.94 115.26 105.28 1waf n ASN 377 Ca 0.00 0.41 -0.23 0.00 -0.03 0.00 0.00 54.58 54.73 1waf n ASN 377 Cb 0.00 -4.12 0.10 0.00 -0.61 0.00 0.00 39.78 35.15 1waf n ASN 377 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1waf s LYS 378 N -3.39 1.78 -0.06 3.52 -0.14 -0.99 -1.83 119.74 118.63 1waf s LYS 378 Ca 0.00 -1.09 0.02 0.00 -1.36 0.00 0.00 55.97 53.53 1waf s LYS 378 Cb 0.00 -2.35 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 1waf s LYS 378 CO 0.00 -1.36 -0.09 0.08 -0.76 0.00 0.00 175.35 173.22 1waf s VAL 379 N -3.10 0.93 0.49 3.17 1.01 -1.02 -4.59 120.40 117.30 1waf s VAL 379 Ca 0.65 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 62.07 1waf s VAL 379 Cb -0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.37 1waf s VAL 379 CO 0.44 0.31 1.18 0.27 0.00 0.00 0.00 175.10 177.30 1waf s ILE 380 N 0.87 2.99 0.00 2.22 -4.36 -1.26 -3.58 121.20 118.08 1waf s ILE 380 Ca -0.11 0.71 0.00 0.00 -0.26 0.00 0.00 60.65 60.99 1waf s ILE 380 Cb -0.15 -3.35 0.00 0.00 1.25 0.00 0.00 42.46 40.21 1waf s ILE 380 CO 0.01 -0.04 0.00 -2.65 0.24 0.00 0.00 174.94 172.50 1waf n PRO 381 N -0.74 1.34 -4.84 0.37 -0.02 -1.26 -2.53 135.00 127.32 1waf n PRO 381 Ca 0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.32 1waf n PRO 381 Cb 0.48 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.81 1waf n PRO 381 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1waf s GLN 382 N 0.00 1.52 1.03 -0.52 -2.07 -1.26 -3.42 119.66 114.93 1waf s GLN 382 Ca 0.00 -0.62 -0.12 0.00 -1.82 0.00 0.00 55.36 52.80 1waf s GLN 382 Cb 0.00 -1.42 0.21 0.00 -1.09 0.00 0.00 33.01 30.70 1waf s GLN 382 CO 0.00 0.34 1.07 0.20 -1.32 0.00 0.00 175.29 175.59 1waf s GLY 383 N -0.29 1.58 -0.30 2.60 0.00 -1.26 -4.98 107.32 104.67 1waf s GLY 383 Ca 0.04 -0.15 -0.17 0.00 0.00 0.00 0.00 44.72 44.44 1waf s GLY 383 CO 0.00 0.46 1.15 -1.60 0.00 0.00 0.00 173.10 173.10 1waf s ARG 384 N -4.77 0.15 0.56 2.90 3.52 -1.26 -5.07 118.95 114.97 1waf s ARG 384 Ca 0.66 0.34 -0.20 0.00 -0.13 0.00 0.00 55.73 56.40 1waf s ARG 384 Cb -0.21 0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 33.34 1waf s ARG 384 CO 0.60 -0.08 1.22 -1.54 -0.81 0.00 0.00 175.30 174.69 1waf s SER 385 N 2.40 5.41 0.50 -2.12 1.04 -1.26 -4.95 113.70 114.72 1waf s SER 385 Ca -0.01 2.42 0.03 0.00 0.48 0.00 0.00 55.95 58.87 1waf s SER 385 Cb -0.05 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.45 1waf s SER 385 CO -0.15 -1.45 0.08 -1.00 0.98 0.00 0.00 173.24 171.71 1waf s HIS 386 N -1.55 1.97 0.46 5.02 0.09 -1.26 -5.10 115.29 114.92 1waf s HIS 386 Ca 0.74 -0.87 0.06 0.00 -0.00 0.00 0.00 55.06 54.98 1waf s HIS 386 Cb -0.31 -1.71 0.02 0.00 -0.00 0.00 0.00 32.58 30.57 1waf s HIS 386 CO 0.35 0.14 0.63 -1.25 -0.00 0.00 0.00 174.74 174.61 1waf s PRO 387 N -3.92 2.75 -0.68 8.40 0.04 -1.26 -4.93 135.00 135.39 1waf s PRO 387 Ca 0.17 -1.08 -0.27 0.00 0.04 0.00 0.00 61.00 59.86 1waf s PRO 387 Cb 0.02 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.90 1waf s PRO 387 CO 0.09 -0.40 1.52 0.08 0.04 0.00 0.00 177.00 178.33 1waf s VAL 388 N -2.47 3.58 -0.21 -0.36 1.01 -1.26 -4.99 120.40 115.69 1waf s VAL 388 Ca 0.55 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.80 1waf s VAL 388 Cb -0.10 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.74 1waf s VAL 388 CO 0.35 -1.46 0.05 -1.58 0.00 0.00 0.00 175.10 172.45 1waf s GLN 389 N 6.25 3.73 -0.04 2.72 2.00 -1.26 -5.01 119.66 128.05 1waf s GLN 389 Ca 0.48 -0.45 -0.00 0.00 -2.00 0.00 0.00 55.36 53.39 1waf s GLN 389 Cb -0.10 -3.22 -0.01 0.00 0.80 0.00 0.00 33.01 30.48 1waf s GLN 389 CO 0.18 0.01 0.87 -2.30 -0.50 0.00 0.00 175.29 173.54 1waf n PRO 390 N 4.31 0.17 -1.73 1.67 -0.02 -1.26 -4.95 135.00 133.20 1waf n PRO 390 Ca -0.16 -0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 60.69 1waf n PRO 390 Cb 0.52 -1.73 0.06 0.00 -0.02 0.00 0.00 33.50 32.33 1waf n PRO 390 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1waf s TYR 391 N 3.61 2.24 1.21 6.00 1.13 -1.26 -4.95 117.35 125.32 1waf s TYR 391 Ca 0.04 1.55 -0.14 0.00 -1.41 0.00 0.00 57.07 57.12 1waf s TYR 391 Cb 0.02 -3.47 0.29 0.00 -1.10 0.00 0.00 41.96 37.70 1waf s TYR 391 CO -0.00 -2.40 0.93 -0.35 -2.51 0.00 0.00 175.55 171.22 1waf n PRO 392 N -2.16 -2.66 0.00 -3.49 -0.04 -1.26 -5.05 135.00 120.34 1waf n PRO 392 Ca 0.13 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 1waf n PRO 392 Cb 0.50 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1waf n PRO 392 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1waf n GLY 393 N 1.17 3.54 3.93 0.55 0.00 -1.26 -4.89 105.19 108.23 1waf n GLY 393 Ca 0.02 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 1waf n GLY 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1waf s ALA 394 N -2.48 3.07 0.27 4.61 0.00 -1.26 -4.77 121.76 121.19 1waf s ALA 394 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 1waf s ALA 394 Cb 0.00 -2.62 -0.08 0.00 0.00 0.00 0.00 23.12 20.42 1waf s ALA 394 CO 0.00 -1.43 0.62 0.12 0.00 0.00 0.00 175.76 175.08 1waf s PHE 395 N -3.32 3.40 -0.21 0.00 5.36 -1.26 -4.90 117.98 117.06 1waf s PHE 395 Ca 0.62 1.01 -0.04 0.00 -0.96 0.00 0.00 56.93 57.56 1waf s PHE 395 Cb -0.10 -2.37 0.10 0.00 -0.34 0.00 0.00 43.02 40.32 1waf s PHE 395 CO 0.46 0.20 0.29 0.08 -1.46 0.00 0.00 175.22 174.79 1waf s VAL 396 N -1.88 -0.45 0.21 3.12 1.01 -1.26 -0.48 120.40 120.67 1waf s VAL 396 Ca 0.50 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.13 1waf s VAL 396 Cb -0.11 -0.70 -0.10 0.00 0.00 0.00 0.00 36.38 35.47 1waf s VAL 396 CO 0.20 -0.13 1.47 -0.75 0.00 0.00 0.00 175.10 175.89 1waf s LYS 397 N 2.43 4.26 -0.09 2.72 2.20 -0.96 -4.96 119.74 125.34 1waf s LYS 397 Ca 0.08 2.30 -0.30 0.00 -0.36 0.00 0.00 55.97 57.69 1waf s LYS 397 Cb -0.15 -3.13 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1waf s LYS 397 CO -0.13 -0.47 1.25 -2.00 -0.36 0.00 0.00 175.35 173.64 1waf s GLU 398 N 0.18 4.30 0.28 4.03 2.56 -1.26 -4.67 118.70 124.11 1waf s GLU 398 Ca 0.63 1.71 0.04 0.00 0.00 0.00 0.00 54.97 57.35 1waf s GLU 398 Cb -0.42 -3.64 -0.03 0.00 2.00 0.00 0.00 34.13 32.05 1waf s GLU 398 CO 0.39 -0.55 0.42 -1.25 -0.56 0.00 0.00 175.26 173.70 1waf s PRO 399 N 2.69 3.40 -0.08 4.30 0.04 -1.26 -4.96 135.00 139.13 1waf s PRO 399 Ca 0.57 -0.71 -0.20 0.00 0.04 0.00 0.00 61.00 60.70 1waf s PRO 399 Cb -0.25 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1waf s PRO 399 CO 0.20 0.31 0.56 0.42 0.04 0.00 0.00 177.00 178.54 1waf s ILE 400 N -2.08 5.09 0.01 0.56 1.01 -1.26 -4.87 121.20 119.66 1waf s ILE 400 Ca 0.37 1.15 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 1waf s ILE 400 Cb -0.09 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.43 1waf s ILE 400 CO 0.31 0.33 1.22 -2.84 0.00 0.00 0.00 174.94 173.96 1waf s PRO 401 N 0.48 4.39 0.00 2.79 0.02 -1.26 -4.85 135.00 136.57 1waf s PRO 401 Ca 0.30 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1waf s PRO 401 Cb -0.16 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 30.91 1waf s PRO 401 CO 0.14 -0.36 0.00 -1.71 -0.33 0.00 0.00 177.00 174.74 1waf n ASN 402 N 4.55 0.00 -4.90 2.53 5.15 -1.20 -4.87 115.26 116.52 1waf n ASN 402 Ca 0.10 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.78 1waf n ASN 402 Cb 0.46 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.67 1waf n ASN 402 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1waf s ARG 403 N -1.54 3.66 -0.36 1.20 1.70 -1.26 -1.91 118.95 120.44 1waf s ARG 403 Ca 0.00 0.01 0.03 0.00 -0.47 0.00 0.00 55.73 55.29 1waf s ARG 403 Cb 0.00 -2.72 0.15 0.00 -0.57 0.00 0.00 34.95 31.81 1waf s ARG 403 CO 0.00 0.33 0.36 0.71 -1.08 0.00 0.00 175.30 175.62 1waf s TYR 404 N -1.88 -0.31 0.00 5.89 2.02 1.00 -4.95 117.35 119.11 1waf s TYR 404 Ca 0.43 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1waf s TYR 404 Cb -0.11 -0.42 0.00 0.00 -0.40 0.00 0.00 41.96 41.03 1waf s TYR 404 CO 0.26 -0.96 0.16 1.63 -1.57 0.00 0.00 175.55 175.07 1waf n LYS 405 N 4.41 0.00 -3.53 -0.62 5.02 -1.13 -3.65 118.16 118.66 1waf n LYS 405 Ca 0.09 0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 56.16 1waf n LYS 405 Cb 0.45 -0.66 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 1waf n LYS 405 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1waf s TYR 406 N -0.32 3.64 0.11 2.13 2.02 -1.26 -4.10 117.35 119.57 1waf s TYR 406 Ca 0.00 0.85 -0.20 0.00 -0.37 0.00 0.00 57.07 57.35 1waf s TYR 406 Cb 0.00 -2.29 0.05 0.00 -0.40 0.00 0.00 41.96 39.32 1waf s TYR 406 CO 0.00 0.52 0.50 0.08 -1.57 0.00 0.00 175.55 175.08 1waf s VAL 407 N -0.58 0.04 -0.17 0.71 1.01 -0.98 -0.93 120.40 119.49 1waf s VAL 407 Ca 0.22 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1waf s VAL 407 Cb -0.15 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.23 1waf s VAL 407 CO 0.10 -0.16 0.44 0.00 0.00 0.00 0.00 175.10 175.48 1waf s MET 408 N -3.29 0.48 0.34 2.72 0.23 -0.02 -1.62 119.30 118.14 1waf s MET 408 Ca -0.01 0.70 0.02 0.00 -1.03 0.00 0.00 55.69 55.38 1waf s MET 408 Cb 0.00 0.14 -0.02 0.00 -1.53 0.00 0.00 34.83 33.42 1waf s MET 408 CO -0.09 -0.10 0.52 -1.54 -2.03 0.00 0.00 175.02 171.78 1waf s SER 409 N 0.73 6.15 -0.12 -1.18 1.04 -0.77 -1.72 113.70 117.83 1waf s SER 409 Ca -0.04 0.23 -0.14 0.00 0.48 0.00 0.00 55.95 56.48 1waf s SER 409 Cb -0.05 -1.76 0.04 0.00 0.10 0.00 0.00 66.02 64.34 1waf s SER 409 CO -0.05 -0.35 0.38 -0.36 0.98 0.00 0.00 173.24 173.84 1waf s PHE 410 N -2.27 -0.39 -0.09 5.02 0.40 -1.15 -0.13 117.98 119.36 1waf s PHE 410 Ca 0.41 0.91 0.01 0.00 -0.60 0.00 0.00 56.93 57.67 1waf s PHE 410 Cb -0.10 0.14 0.02 0.00 0.51 0.00 0.00 43.02 43.60 1waf s PHE 410 CO 0.34 -0.24 -0.11 -0.51 0.70 0.00 0.00 175.22 175.40 1waf s ASP 411 N -0.08 2.06 -0.37 1.36 1.11 -0.53 -1.91 116.67 118.30 1waf s ASP 411 Ca -0.02 -0.33 -0.29 0.00 0.18 0.00 0.00 52.55 52.09 1waf s ASP 411 Cb -0.03 -0.89 0.01 0.00 1.07 0.00 0.00 42.92 43.09 1waf s ASP 411 CO 0.01 -0.03 1.25 -0.76 1.18 0.00 0.00 175.17 176.83 1waf s LEU 412 N 1.13 3.76 0.25 1.23 2.01 -0.66 -2.73 118.68 123.67 1waf s LEU 412 Ca -0.05 0.92 -0.31 0.00 0.01 0.00 0.00 54.13 54.69 1waf s LEU 412 Cb -0.14 -3.54 -0.12 0.00 0.01 0.00 0.00 46.19 42.39 1waf s LEU 412 CO -0.02 -1.17 1.57 0.35 1.01 0.00 0.00 176.35 178.09 1waf n THR 413 N 6.51 0.67 0.00 5.49 -2.24 -0.69 -3.82 114.28 120.19 1waf n THR 413 Ca 0.14 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1waf n THR 413 Cb 0.48 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1waf n THR 413 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1waf n SER 414 N 2.68 0.00 0.00 3.42 3.41 -1.26 -4.80 113.62 117.07 1waf n SER 414 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1waf n SER 414 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1waf n SER 414 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1waf n LEU 415 N 0.00 0.00 -0.18 1.04 7.94 -1.25 -4.40 117.00 120.15 1waf n LEU 415 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 1waf n LEU 415 Cb 0.00 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 43.87 1waf n LEU 415 CO 0.00 0.00 0.51 1.88 -1.11 0.00 0.00 177.39 178.67 1waf h TYR 416 N 0.00 -1.63 -0.90 1.96 0.05 -1.93 0.37 116.97 114.90 1waf h TYR 416 Ca 0.00 0.09 0.09 0.00 0.05 0.00 0.00 58.73 58.96 1waf h TYR 416 Cb 0.00 0.78 -0.07 0.00 1.01 0.00 0.00 36.73 38.44 1waf h TYR 416 CO 0.00 -0.47 0.54 -1.00 -1.05 0.00 0.00 178.16 176.19 1waf h PRO 417 N -0.33 0.90 -0.35 4.88 0.13 -1.89 0.25 132.00 135.58 1waf h PRO 417 Ca 0.10 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1waf h PRO 417 Cb 0.57 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 1waf h PRO 417 CO -0.65 0.59 0.17 0.77 -0.23 0.00 0.00 178.00 178.66 1waf h SER 418 N 0.92 0.47 0.38 1.44 0.02 -1.66 -2.56 113.55 112.56 1waf h SER 418 Ca 0.42 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1waf h SER 418 Cb 0.33 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1waf h SER 418 CO -0.23 0.47 -0.51 0.40 -1.14 0.00 0.00 176.83 175.82 1waf h ILE 419 N 0.43 0.02 -0.89 3.27 2.04 0.30 0.93 117.51 123.62 1waf h ILE 419 Ca 0.12 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.18 1waf h ILE 419 Cb 0.12 0.02 -0.17 0.00 -0.74 0.00 0.00 36.82 36.06 1waf h ILE 419 CO -0.01 0.00 -0.15 -0.38 0.00 0.00 0.00 178.15 177.61 1waf n ILE 420 N -5.54 -0.37 0.08 -0.67 -0.00 -0.32 0.74 119.36 113.27 1waf n ILE 420 Ca -0.11 2.01 -0.10 0.00 -0.00 0.00 0.00 62.75 64.54 1waf n ILE 420 Cb 0.45 -2.82 -0.13 0.00 -0.00 0.00 0.00 39.64 37.14 1waf n ILE 420 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1waf h ARG 421 N 0.00 0.10 -0.53 0.38 3.08 -0.95 0.12 114.38 116.59 1waf h ARG 421 Ca 0.46 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 1waf h ARG 421 Cb 0.79 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1waf h ARG 421 CO -0.89 1.08 0.18 0.37 -1.07 0.00 0.00 179.97 179.64 1waf h GLN 422 N 0.03 0.79 -0.40 0.04 4.15 0.70 -3.07 115.11 117.34 1waf h GLN 422 Ca -0.06 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1waf h GLN 422 Cb 1.85 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.41 1waf h GLN 422 CO 0.16 0.67 0.00 0.28 -1.93 0.00 0.00 178.83 178.01 1waf n VAL 423 N -4.31 0.64 -3.16 2.39 0.31 0.41 -1.98 118.33 112.62 1waf n VAL 423 Ca 0.04 -0.82 -0.22 0.00 -0.01 0.00 0.00 64.34 63.33 1waf n VAL 423 Cb 0.19 0.83 0.01 0.00 -0.91 0.00 0.00 33.84 33.95 1waf n VAL 423 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1waf n ASN 424 N 1.23 -4.41 -4.72 4.52 5.15 -0.13 -4.78 115.26 112.12 1waf n ASN 424 Ca 0.17 -0.30 -0.42 0.00 -0.60 0.00 0.00 54.58 53.44 1waf n ASN 424 Cb 0.54 -3.63 -0.03 0.00 -0.53 0.00 0.00 39.78 36.13 1waf n ASN 424 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1waf s ILE 425 N -2.97 3.05 -0.06 -1.44 1.01 0.24 -4.76 121.20 116.28 1waf s ILE 425 Ca 0.33 0.79 -0.32 0.00 0.00 0.00 0.00 60.65 61.45 1waf s ILE 425 Cb -0.17 -3.50 0.12 0.00 0.01 0.00 0.00 42.46 38.92 1waf s ILE 425 CO 0.40 0.08 1.23 -0.55 0.00 0.00 0.00 174.94 176.11 1waf s SER 426 N 0.87 -0.10 0.10 3.58 0.15 -1.26 -3.97 113.70 113.07 1waf s SER 426 Ca 0.64 -0.11 -0.14 0.00 0.70 0.00 0.00 55.95 57.04 1waf s SER 426 Cb -0.39 0.18 -0.13 0.00 -1.71 0.00 0.00 66.02 63.97 1waf s SER 426 CO 0.34 -0.32 1.34 1.55 1.20 0.00 0.00 173.24 177.35 1waf h PRO 427 N 2.00 0.76 -0.00 5.44 0.13 -1.93 -3.19 132.00 135.21 1waf h PRO 427 Ca -0.23 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1waf h PRO 427 Cb 1.19 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1waf h PRO 427 CO 0.26 1.15 0.00 -0.85 -0.23 0.00 0.00 178.00 178.33 1waf n GLU 428 N -4.08 1.08 0.00 0.86 0.00 -1.26 -3.18 120.64 114.06 1waf n GLU 428 Ca -0.06 -0.12 0.13 0.00 0.00 0.00 0.00 57.16 57.11 1waf n GLU 428 Cb 0.63 -1.47 0.30 0.00 0.00 0.00 0.00 31.44 30.90 1waf n GLU 428 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1waf n THR 429 N -0.83 0.00 -2.24 3.84 -2.24 -1.20 -4.85 114.28 106.76 1waf n THR 429 Ca 0.22 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.37 1waf n THR 429 Cb 0.13 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 1waf n THR 429 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1waf s ILE 430 N -2.38 3.80 -0.26 2.28 2.07 -1.19 -1.82 121.20 123.70 1waf s ILE 430 Ca 0.26 0.85 -0.12 0.00 -1.41 0.00 0.00 60.65 60.22 1waf s ILE 430 Cb 0.19 -3.97 -0.14 0.00 0.13 0.00 0.00 42.46 38.67 1waf s ILE 430 CO 0.48 -0.55 -0.26 0.00 -1.91 0.00 0.00 174.94 172.71 1waf n ALA 431 N 8.89 1.18 -2.98 1.50 0.00 -0.27 -4.91 120.51 123.93 1waf n ALA 431 Ca 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1waf n ALA 431 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1waf n ALA 431 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1waf n GLY 432 N 1.45 4.21 3.47 0.00 0.00 -1.06 -5.03 105.19 108.23 1waf n GLY 432 Ca -0.50 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1waf n GLY 432 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1waf s THR 433 N -0.18 0.00 0.25 2.61 2.01 -1.26 -4.35 115.64 114.72 1waf s THR 433 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1waf s THR 433 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1waf s THR 433 CO 0.00 0.00 0.08 0.72 -0.69 0.00 0.00 174.62 174.73 1waf s PHE 434 N -2.44 1.51 -0.08 4.92 -0.71 -1.14 -4.96 117.98 115.08 1waf s PHE 434 Ca -0.05 -1.15 -0.30 0.00 -1.04 0.00 0.00 56.93 54.40 1waf s PHE 434 Cb -0.00 -0.89 -0.03 0.00 -1.21 0.00 0.00 43.02 40.88 1waf s PHE 434 CO -0.01 -0.30 1.32 0.15 -1.34 0.00 0.00 175.22 175.03 1waf s LYS 435 N -4.01 4.28 -0.34 1.99 -0.14 -1.26 -4.80 119.74 115.46 1waf s LYS 435 Ca 0.36 1.80 -0.14 0.00 -1.36 0.00 0.00 55.97 56.63 1waf s LYS 435 Cb 0.08 -3.67 -0.01 0.00 -1.68 0.00 0.00 37.83 32.54 1waf s LYS 435 CO 0.12 -0.61 0.30 0.54 -0.76 0.00 0.00 175.35 174.94 1waf s VAL 436 N 2.86 5.23 0.56 3.17 0.11 -1.26 -4.99 120.40 126.09 1waf s VAL 436 Ca 0.59 -0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.42 1waf s VAL 436 Cb -0.26 -3.77 -0.05 0.00 -1.53 0.00 0.00 36.38 30.77 1waf s VAL 436 CO 0.21 -0.05 0.97 0.00 -3.33 0.00 0.00 175.10 172.91 1waf s ALA 437 N 1.85 3.14 0.05 1.54 0.00 -1.26 -4.97 121.76 122.11 1waf s ALA 437 Ca 0.09 -0.08 -0.35 0.00 0.00 0.00 0.00 51.96 51.62 1waf s ALA 437 Cb -0.17 -3.01 -0.14 0.00 0.00 0.00 0.00 23.12 19.80 1waf s ALA 437 CO 0.11 -0.49 1.59 -2.30 0.00 0.00 0.00 175.76 174.66 1waf n PRO 438 N -2.30 1.79 -0.31 0.00 -0.02 -1.26 -4.85 135.00 128.05 1waf n PRO 438 Ca 0.05 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.24 1waf n PRO 438 Cb 0.54 -2.39 0.15 0.00 -0.02 0.00 0.00 33.50 31.78 1waf n PRO 438 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1waf h LEU 439 N 6.29 -0.70 -0.80 2.45 5.85 -1.93 -1.76 115.31 124.71 1waf h LEU 439 Ca -0.46 0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.61 1waf h LEU 439 Cb 1.29 0.51 -0.11 0.00 0.37 0.00 0.00 40.66 42.71 1waf h LEU 439 CO 0.88 -0.29 -0.40 1.57 -0.34 0.00 0.00 178.44 179.86 1waf n HIS 440 N -5.52 -0.18 0.02 1.25 -0.00 -1.26 0.24 115.22 109.77 1waf n HIS 440 Ca 0.15 1.00 -0.10 0.00 -0.00 0.00 0.00 57.72 58.77 1waf n HIS 440 Cb 0.50 -0.68 -0.04 0.00 -0.00 0.00 0.00 29.99 29.78 1waf n HIS 440 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1waf h ASP 441 N 0.00 -0.51 -0.88 0.26 3.32 -1.68 -2.30 116.42 114.62 1waf h ASP 441 Ca 0.20 0.09 0.24 0.00 0.02 0.00 0.00 57.03 57.57 1waf h ASP 441 Cb 0.40 0.23 -0.14 0.00 0.22 0.00 0.00 39.33 40.04 1waf h ASP 441 CO -0.77 -0.22 0.27 1.88 -1.72 0.00 0.00 179.24 178.67 1waf h TYR 442 N -0.24 0.42 0.00 4.55 0.05 -0.23 0.45 116.97 121.98 1waf h TYR 442 Ca 0.08 0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1waf h TYR 442 Cb 0.35 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1waf h TYR 442 CO -0.26 -0.19 -0.02 -0.84 -1.05 0.00 0.00 178.16 175.80 1waf h ILE 443 N 0.24 0.06 -0.33 -2.88 3.07 -0.70 -1.32 117.51 115.65 1waf h ILE 443 Ca 0.56 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 66.43 1waf h ILE 443 Cb 1.13 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 1waf h ILE 443 CO -0.63 0.02 0.00 0.59 -1.05 0.00 0.00 178.15 177.08 1waf n ASN 444 N -3.13 3.23 0.00 2.16 3.02 0.15 -4.75 115.26 115.94 1waf n ASN 444 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1waf n ASN 444 Cb 0.30 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1waf n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1waf n ALA 445 N 1.36 0.00 1.17 5.41 0.00 -0.40 -4.80 120.51 123.26 1waf n ALA 445 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1waf n ALA 445 Cb 0.58 -1.08 0.60 0.00 0.00 0.00 0.00 19.45 19.55 1waf n ALA 445 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1waf n VAL 446 N -2.15 0.22 -2.77 0.00 0.31 -0.96 -4.70 118.33 108.26 1waf n VAL 446 Ca 0.00 0.05 -0.25 0.00 -0.01 0.00 0.00 64.34 64.13 1waf n VAL 446 Cb 0.29 -0.69 0.01 0.00 -0.91 0.00 0.00 33.84 32.54 1waf n VAL 446 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1waf s ALA 447 N -2.40 3.55 0.18 3.52 0.00 -1.25 -4.91 121.76 120.45 1waf s ALA 447 Ca 0.25 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 1waf s ALA 447 Cb 0.15 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.84 1waf s ALA 447 CO 0.32 -0.48 0.57 -2.00 0.00 0.00 0.00 175.76 174.17 1waf s GLU 448 N -4.70 3.96 -0.15 0.00 2.12 -1.26 -4.95 118.70 113.71 1waf s GLU 448 Ca 0.49 0.48 -0.29 0.00 0.36 0.00 0.00 54.97 56.01 1waf s GLU 448 Cb -0.10 -2.84 -0.05 0.00 0.26 0.00 0.00 34.13 31.40 1waf s GLU 448 CO 0.41 0.42 1.91 0.50 -0.54 0.00 0.00 175.26 177.96 1waf s ARG 449 N -2.21 3.67 0.93 4.30 3.52 -1.26 -4.98 118.95 122.93 1waf s ARG 449 Ca 0.41 2.04 -0.13 0.00 -0.13 0.00 0.00 55.73 57.93 1waf s ARG 449 Cb -0.14 -4.18 0.15 0.00 -1.56 0.00 0.00 34.95 29.22 1waf s ARG 449 CO 0.20 -1.47 1.14 -2.14 -0.81 0.00 0.00 175.30 172.21 1waf s PRO 450 N 5.18 0.96 0.00 5.12 0.02 -1.26 -4.89 135.00 140.13 1waf s PRO 450 Ca 0.86 0.29 0.00 0.00 0.02 0.00 0.00 61.00 62.17 1waf s PRO 450 Cb -0.32 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1waf s PRO 450 CO 0.35 -2.32 0.00 0.45 -0.33 0.00 0.00 177.00 175.15 1waf n SER 451 N -3.85 0.00 -0.55 2.53 2.88 -1.26 -4.92 113.62 108.45 1waf n SER 451 Ca 0.07 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.66 1waf n SER 451 Cb 0.59 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.18 1waf n SER 451 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1waf n ASP 452 N 0.00 2.75 0.00 -3.46 9.92 -1.26 -4.30 116.55 120.19 1waf n ASP 452 Ca 0.00 -1.96 0.00 0.00 -0.53 0.00 0.00 54.79 52.30 1waf n ASP 452 Cb 0.00 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 1waf n ASP 452 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1waf n VAL 453 N 0.41 0.00 -4.39 2.53 0.24 -1.26 -5.08 118.33 110.78 1waf n VAL 453 Ca 0.10 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.34 61.90 1waf n VAL 453 Cb 0.39 0.72 -0.13 0.00 -1.47 0.00 0.00 33.84 33.36 1waf n VAL 453 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1waf s TYR 454 N -1.17 2.33 0.18 6.34 2.02 -1.26 -4.26 117.35 121.51 1waf s TYR 454 Ca 0.00 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 1waf s TYR 454 Cb 0.00 -1.24 -0.07 0.00 -0.40 0.00 0.00 41.96 40.25 1waf s TYR 454 CO 0.00 0.37 0.95 0.45 -1.57 0.00 0.00 175.55 175.75 1waf s SER 455 N -2.16 7.57 0.05 2.29 0.15 -0.01 -4.52 113.70 117.07 1waf s SER 455 Ca 0.15 1.88 0.04 0.00 0.70 0.00 0.00 55.95 58.72 1waf s SER 455 Cb -0.10 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1waf s SER 455 CO 0.07 0.04 -0.11 0.00 1.20 0.00 0.00 173.24 174.44 1waf s SER 457 N -1.48 2.96 0.00 0.00 0.15 -1.26 -4.88 113.70 109.20 1waf s SER 457 Ca -0.05 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1waf s SER 457 Cb -0.09 -1.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1waf s SER 457 CO 0.01 0.17 0.27 -2.65 1.20 0.00 0.00 173.24 172.24 1waf n PRO 458 N 3.40 0.00 -0.58 5.44 -0.02 -1.26 -0.36 135.00 141.61 1waf n PRO 458 Ca -0.19 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.34 1waf n PRO 458 Cb 0.53 -1.76 0.26 0.00 -0.02 0.00 0.00 33.50 32.50 1waf n PRO 458 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1waf n ASN 459 N -0.77 3.83 -1.53 2.55 2.04 -1.26 -4.82 115.26 115.30 1waf n ASN 459 Ca 0.00 -3.16 -0.03 0.00 -0.44 0.00 0.00 54.58 50.94 1waf n ASN 459 Cb 0.26 -0.59 0.02 0.00 -2.53 0.00 0.00 39.78 36.94 1waf n ASN 459 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1waf n GLY 460 N -0.54 0.30 0.09 4.83 0.00 0.51 -4.98 105.19 105.41 1waf n GLY 460 Ca 0.26 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1waf n GLY 460 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1waf n MET 461 N -1.65 0.87 -2.14 1.61 2.00 -0.75 -2.89 117.12 114.17 1waf n MET 461 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1waf n MET 461 Cb 0.53 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 32.37 1waf n MET 461 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1waf n MET 462 N -2.88 -3.63 -4.33 0.03 2.81 -1.21 -3.79 117.12 104.12 1waf n MET 462 Ca -0.31 2.60 -0.19 0.00 -1.81 0.00 0.00 57.70 58.00 1waf n MET 462 Cb 0.91 -3.27 -0.13 0.00 -0.71 0.00 0.00 33.22 30.01 1waf n MET 462 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1waf s TYR 463 N -0.39 1.05 -0.18 2.03 1.51 0.25 -1.11 117.35 120.51 1waf s TYR 463 Ca 0.00 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1waf s TYR 463 Cb 0.00 -0.64 -0.06 0.00 -0.11 0.00 0.00 41.96 41.15 1waf s TYR 463 CO 0.00 0.01 2.19 0.66 -1.11 0.00 0.00 175.55 177.29 1waf n TYR 464 N 2.12 2.04 1.23 2.71 4.02 -0.76 -0.83 117.16 127.69 1waf n TYR 464 Ca -0.17 -0.15 0.09 0.00 -0.01 0.00 0.00 57.90 57.66 1waf n TYR 464 Cb 0.55 -2.73 0.54 0.00 -0.02 0.00 0.00 39.34 37.67 1waf n TYR 464 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1waf n LYS 465 N 8.54 0.61 0.00 -0.72 5.02 -1.26 -4.22 118.16 126.13 1waf n LYS 465 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1waf n LYS 465 Cb 0.43 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1waf n LYS 465 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1waf n ASP 466 N -0.96 0.00 -4.45 4.39 5.75 -1.26 -4.97 116.55 115.05 1waf n ASP 466 Ca 0.14 0.00 -0.53 0.00 -0.01 0.00 0.00 54.79 54.38 1waf n ASP 466 Cb 0.06 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 1waf n ASP 466 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1waf n ARG 467 N -1.01 0.04 -2.95 0.11 1.74 -1.26 -4.85 116.66 108.48 1waf n ARG 467 Ca 0.00 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.67 1waf n ARG 467 Cb 0.00 -1.26 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 1waf n ARG 467 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1waf s ASP 468 N -0.51 6.43 0.43 0.55 2.15 -1.26 -4.98 116.67 119.48 1waf s ASP 468 Ca 0.77 -0.06 -0.26 0.00 0.43 0.00 0.00 52.55 53.43 1waf s ASP 468 Cb -1.08 -2.39 -0.09 0.00 -0.30 0.00 0.00 42.92 39.05 1waf s ASP 468 CO 0.56 -0.91 1.39 0.61 -0.17 0.00 0.00 175.17 176.65 1waf n GLY 469 N 4.95 0.88 0.00 2.66 0.00 -1.26 -4.88 105.19 107.54 1waf n GLY 469 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1waf n GLY 469 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1waf n VAL 470 N -0.14 0.00 -0.17 1.61 0.31 -1.26 -0.87 118.33 117.81 1waf n VAL 470 Ca 0.05 1.40 -0.08 0.00 -0.01 0.00 0.00 64.34 65.70 1waf n VAL 470 Cb 0.40 -2.22 -0.06 0.00 -0.91 0.00 0.00 33.84 31.05 1waf n VAL 470 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1waf h VAL 471 N 0.00 0.00 -0.58 2.52 2.07 -1.94 0.22 116.25 118.54 1waf h VAL 471 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1waf h VAL 471 Cb 0.00 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.66 1waf h VAL 471 CO 0.00 0.00 -0.15 1.55 0.02 0.00 0.00 177.57 178.99 1waf h PRO 472 N -0.14 -0.00 -0.32 1.57 0.13 -1.67 0.21 132.00 131.78 1waf h PRO 472 Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1waf h PRO 472 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1waf h PRO 472 CO -0.48 -0.00 0.12 1.79 -0.23 0.00 0.00 178.00 179.20 1waf h THR 473 N -0.00 1.19 -0.84 1.56 1.35 -0.24 -1.31 112.91 114.62 1waf h THR 473 Ca 0.28 -0.61 0.14 0.00 -0.55 0.00 0.00 66.41 65.66 1waf h THR 473 Cb 0.42 0.99 -0.09 0.00 -1.73 0.00 0.00 68.15 67.74 1waf h THR 473 CO -0.59 0.21 0.43 -0.08 -0.25 0.00 0.00 175.52 175.24 1waf h GLU 474 N 0.37 0.62 -0.18 4.72 4.57 0.83 0.18 114.58 125.68 1waf h GLU 474 Ca 0.11 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1waf h GLU 474 Cb 0.22 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1waf h GLU 474 CO -0.01 0.41 -0.05 0.82 -1.18 0.00 0.00 179.01 179.00 1waf h ILE 475 N 0.64 1.29 -0.58 2.32 2.04 -0.68 -3.03 117.51 119.50 1waf h ILE 475 Ca 0.45 -1.03 0.10 0.00 1.00 0.00 0.00 64.86 65.38 1waf h ILE 475 Cb 0.61 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 38.21 1waf h ILE 475 CO -0.35 0.31 0.16 0.74 0.00 0.00 0.00 178.15 179.01 1waf h THR 476 N 0.07 0.71 -0.65 -0.27 2.02 -0.09 0.22 112.91 114.92 1waf h THR 476 Ca 0.05 -0.11 0.13 0.00 0.77 0.00 0.00 66.41 67.25 1waf h THR 476 Cb 0.50 0.37 -0.12 0.00 -1.74 0.00 0.00 68.15 67.15 1waf h THR 476 CO 0.02 0.06 -0.18 0.11 0.37 0.00 0.00 175.52 175.89 1waf h LYS 477 N 0.31 -0.02 0.12 6.66 1.57 -0.59 0.70 116.57 125.33 1waf h LYS 477 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1waf h LYS 477 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1waf h LYS 477 CO -0.35 -0.01 -0.06 0.28 -0.57 0.00 0.00 179.45 178.74 1waf h VAL 478 N -0.02 0.89 -0.45 0.50 2.07 -0.60 -2.34 116.25 116.30 1waf h VAL 478 Ca 0.31 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.94 1waf h VAL 478 Cb 0.49 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1waf h VAL 478 CO -0.68 0.00 0.39 0.15 0.02 0.00 0.00 177.57 177.46 1waf h PHE 479 N -0.17 0.00 0.07 1.57 3.04 0.14 0.46 116.94 122.04 1waf h PHE 479 Ca -0.02 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.75 1waf h PHE 479 Cb 0.13 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.66 1waf h PHE 479 CO -0.07 0.00 -0.77 -0.91 -2.02 0.00 0.00 178.31 174.54 1waf h ASN 480 N 0.00 0.55 -0.94 0.41 2.35 -0.63 -2.12 115.58 115.21 1waf h ASN 480 Ca 0.21 -0.85 0.12 0.00 -0.55 0.00 0.00 56.30 55.24 1waf h ASN 480 Cb 1.00 -0.17 -0.07 0.00 0.05 0.00 0.00 38.32 39.12 1waf h ASN 480 CO -0.00 1.34 0.60 1.56 -1.65 0.00 0.00 177.43 179.28 1waf h GLN 481 N -0.16 0.85 0.12 0.81 4.20 -0.56 0.70 115.11 121.07 1waf h GLN 481 Ca -0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1waf h GLN 481 Cb 1.52 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1waf h GLN 481 CO 0.15 0.56 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.72 1waf h ARG 482 N 0.88 -0.16 -1.00 1.46 2.43 -1.28 0.29 114.38 117.00 1waf h ARG 482 Ca 0.46 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.85 1waf h ARG 482 Cb 0.53 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.00 1waf h ARG 482 CO -0.22 0.31 0.61 -0.22 -1.51 0.00 0.00 179.97 178.94 1waf h LYS 483 N -0.74 0.67 0.34 0.20 3.64 -0.62 0.11 116.57 120.17 1waf h LYS 483 Ca -0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1waf h LYS 483 Cb 0.54 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1waf h LYS 483 CO 0.03 0.44 -0.16 1.49 -2.27 0.00 0.00 179.45 178.98 1waf h GLU 484 N 0.69 -0.44 0.00 1.90 4.81 0.47 -3.03 114.58 118.98 1waf h GLU 484 Ca 0.60 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.85 1waf h GLU 484 Cb 1.03 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 1waf h GLU 484 CO -0.40 -0.15 -0.05 0.45 -0.73 0.00 0.00 179.01 178.13 1waf h HIS 485 N -1.01 0.00 0.11 0.92 3.86 0.10 -1.42 115.15 117.71 1waf h HIS 485 Ca -0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1waf h HIS 485 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1waf h HIS 485 CO 0.03 0.05 -0.05 -0.22 0.86 0.00 0.00 177.93 178.59 1waf h LYS 486 N 0.00 -0.15 -0.35 2.45 3.64 -0.85 -2.59 116.57 118.72 1waf h LYS 486 Ca -0.00 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1waf h LYS 486 Cb 0.12 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 1waf h LYS 486 CO 0.01 0.13 0.09 0.78 -2.27 0.00 0.00 179.45 178.18 1waf h GLY 487 N -0.41 0.42 -0.48 5.01 0.00 -1.22 -2.40 103.07 103.99 1waf h GLY 487 Ca -0.02 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1waf h GLY 487 CO 0.03 -0.01 -0.44 -0.97 0.00 0.00 0.00 176.54 175.14 1waf h TYR 488 N 0.21 -1.39 -0.36 5.60 -1.99 -1.18 0.46 116.97 118.33 1waf h TYR 488 Ca 0.16 0.08 0.10 0.00 2.00 0.00 0.00 58.73 61.08 1waf h TYR 488 Cb 0.17 0.67 -0.01 0.00 2.00 0.00 0.00 36.73 39.56 1waf h TYR 488 CO -0.17 -0.35 0.28 1.98 -0.00 0.00 0.00 178.16 179.90 1waf h MET 489 N -0.21 0.00 0.40 4.88 1.85 -1.27 -1.97 114.93 118.62 1waf h MET 489 Ca 0.08 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.15 1waf h MET 489 Cb 0.42 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.45 1waf h MET 489 CO -0.56 0.00 -0.19 -0.07 -0.40 0.00 0.00 176.91 175.69 1waf h LEU 490 N 0.00 -0.45 -0.25 3.39 3.38 0.32 -2.25 115.31 119.44 1waf h LEU 490 Ca 0.17 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1waf h LEU 490 Cb 0.73 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 1waf h LEU 490 CO -0.00 -0.02 -0.51 0.00 0.09 0.00 0.00 178.44 178.00 1waf h ALA 491 N -0.84 -0.81 0.00 1.53 0.00 -0.28 0.52 119.26 119.38 1waf h ALA 491 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1waf h ALA 491 Cb 0.52 1.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1waf h ALA 491 CO 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 178.31 1waf n ALA 492 N -3.01 1.25 -0.07 0.00 0.00 -0.80 0.25 120.51 118.12 1waf n ALA 492 Ca -0.05 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.37 1waf n ALA 492 Cb 0.33 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 1waf n ALA 492 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1waf h GLN 493 N 0.00 0.04 0.00 0.00 4.15 -0.12 -3.04 115.11 116.15 1waf h GLN 493 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1waf h GLN 493 Cb 0.12 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1waf h GLN 493 CO 0.00 1.04 0.00 0.54 -1.93 0.00 0.00 178.83 178.48 1waf n ARG 494 N -4.42 0.13 -0.00 1.69 1.74 0.15 -0.85 116.66 115.11 1waf n ARG 494 Ca -0.22 0.23 0.14 0.00 -0.77 0.00 0.00 57.85 57.23 1waf n ARG 494 Cb 0.64 -1.70 0.45 0.00 -1.02 0.00 0.00 32.46 30.83 1waf n ARG 494 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1waf n ASN 495 N -1.94 1.77 -0.06 0.55 4.13 0.69 -3.49 115.26 116.92 1waf n ASN 495 Ca 0.05 -1.59 -0.11 0.00 1.68 0.00 0.00 54.58 54.60 1waf n ASN 495 Cb 0.30 -0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.40 1waf n ASN 495 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1waf n GLY 496 N 1.21 -0.89 0.24 7.41 0.00 -0.03 -3.95 105.19 109.18 1waf n GLY 496 Ca 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1waf n GLY 496 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1waf h GLU 497 N 0.01 0.25 0.41 1.61 4.39 -1.56 0.34 114.58 120.02 1waf h GLU 497 Ca -0.43 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 1waf h GLU 497 Cb 2.09 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 1waf h GLU 497 CO 0.05 0.37 -0.19 0.82 -1.16 0.00 0.00 179.01 178.89 1waf h ILE 498 N 0.24 0.61 0.00 3.13 5.03 -1.71 -2.94 117.51 121.86 1waf h ILE 498 Ca 0.05 -0.07 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 1waf h ILE 498 Cb 0.35 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 34.78 1waf h ILE 498 CO 0.02 0.01 0.00 0.40 -0.68 0.00 0.00 178.15 177.90 1waf h ILE 499 N -0.58 0.00 0.98 -0.67 2.04 -1.62 -3.10 117.51 114.55 1waf h ILE 499 Ca -0.06 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1waf h ILE 499 Cb 0.44 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1waf h ILE 499 CO 0.09 0.00 -0.48 0.50 0.00 0.00 0.00 178.15 178.26 1waf h LYS 500 N 0.00 -1.27 0.00 2.37 3.64 -0.15 -3.28 116.57 117.88 1waf h LYS 500 Ca 0.00 0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1waf h LYS 500 Cb 0.76 0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 1waf h LYS 500 CO 0.00 -0.85 -0.73 1.05 -2.27 0.00 0.00 179.45 176.65 1waf h GLU 501 N -1.32 0.00 -0.58 1.90 9.09 -1.63 -3.31 114.58 118.73 1waf h GLU 501 Ca -0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.28 1waf h GLU 501 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 1waf h GLU 501 CO 0.21 0.23 0.00 0.00 0.05 0.00 0.00 179.01 179.51 1waf n ALA 502 N -2.23 2.51 -0.73 1.06 0.00 -1.17 -1.72 120.51 118.23 1waf n ALA 502 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.41 1waf n ALA 502 Cb 0.68 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.15 1waf n ALA 502 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1waf n LEU 503 N -0.19 1.13 0.07 0.00 0.00 -1.24 -4.18 117.00 112.59 1waf n LEU 503 Ca 0.01 -1.36 0.12 0.00 0.00 0.00 0.00 56.01 54.78 1waf n LEU 503 Cb 0.16 -0.06 0.07 0.00 0.00 0.00 0.00 43.42 43.59 1waf n LEU 503 CO 0.01 0.33 0.14 1.41 0.00 0.00 0.00 177.39 179.27 1waf n HIS 504 N -0.40 0.66 -2.72 1.96 8.25 -0.70 -4.33 115.22 117.94 1waf n HIS 504 Ca 0.02 0.19 -0.08 0.00 -0.26 0.00 0.00 57.72 57.59 1waf n HIS 504 Cb 0.44 -0.73 0.10 0.00 1.12 0.00 0.00 29.99 30.92 1waf n HIS 504 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1waf n ASN 505 N -2.31 -2.12 0.00 0.41 6.94 -1.26 -5.10 115.26 111.81 1waf n ASN 505 Ca 0.02 -3.15 0.00 0.00 -0.02 0.00 0.00 54.58 51.43 1waf n ASN 505 Cb 0.48 1.56 0.00 0.00 -2.36 0.00 0.00 39.78 39.46 1waf n ASN 505 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1waf n PRO 506 N -0.00 0.00 0.00 -0.53 -0.04 -1.26 -4.99 135.00 128.17 1waf n PRO 506 Ca 0.02 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1waf n PRO 506 Cb 0.76 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 1waf n PRO 506 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1waf n ASN 507 N -0.65 0.00 -3.15 3.54 6.94 -1.13 -4.22 115.26 116.58 1waf n ASN 507 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 54.58 54.48 1waf n ASN 507 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1waf n ASN 507 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1waf s LEU 508 N 0.00 -0.85 0.00 -4.53 1.02 -1.26 -4.86 118.68 108.20 1waf s LEU 508 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 54.13 52.70 1waf s LEU 508 Cb 0.00 1.35 0.00 0.00 0.02 0.00 0.00 46.19 47.56 1waf s LEU 508 CO 0.00 -0.16 0.00 -1.54 0.02 0.00 0.00 176.35 174.67 1waf n SER 509 N 3.85 0.00 -3.89 2.29 3.41 -1.26 -4.55 113.62 113.46 1waf n SER 509 Ca 0.15 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.48 1waf n SER 509 Cb 0.53 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.31 1waf n SER 509 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1waf s VAL 510 N 0.00 1.04 0.36 -3.33 1.01 -1.26 -4.83 120.40 113.39 1waf s VAL 510 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1waf s VAL 510 Cb 0.00 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1waf s VAL 510 CO 0.00 0.26 0.39 -1.81 0.00 0.00 0.00 175.10 173.94 1waf s ASP 511 N 1.68 5.48 -0.34 3.32 1.11 -1.26 -5.08 116.67 121.58 1waf s ASP 511 Ca 0.03 -0.44 -0.10 0.00 0.18 0.00 0.00 52.55 52.22 1waf s ASP 511 Cb -0.14 -0.94 0.01 0.00 1.07 0.00 0.00 42.92 42.93 1waf s ASP 511 CO -0.08 -0.47 0.17 -1.61 1.18 0.00 0.00 175.17 174.36 1waf s GLU 512 N -4.11 3.01 0.17 8.23 0.41 -1.26 -4.47 118.70 120.67 1waf s GLU 512 Ca 0.45 -0.94 -0.33 0.00 -0.41 0.00 0.00 54.97 53.73 1waf s GLU 512 Cb -0.07 -3.63 -0.16 0.00 -1.78 0.00 0.00 34.13 28.50 1waf s GLU 512 CO 0.29 -0.58 1.22 -2.30 -0.49 0.00 0.00 175.26 173.40 1waf n PRO 513 N 4.97 1.28 -2.49 0.39 -0.02 -1.26 -4.98 135.00 132.89 1waf n PRO 513 Ca -0.13 0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 61.45 1waf n PRO 513 Cb 0.47 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1waf n PRO 513 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1waf s LEU 514 N 0.58 4.03 -1.51 2.45 1.02 -1.26 -5.01 118.68 118.98 1waf s LEU 514 Ca 0.74 2.06 -0.11 0.00 0.02 0.00 0.00 54.13 56.84 1waf s LEU 514 Cb -0.84 -4.30 -0.06 0.00 0.02 0.00 0.00 46.19 41.01 1waf s LEU 514 CO 0.51 -0.66 2.68 0.47 0.02 0.00 0.00 176.35 179.37 1waf n ASP 515 N -0.41 7.06 -4.75 2.29 9.92 -1.26 -4.96 116.55 124.45 1waf n ASP 515 Ca 0.07 -2.62 -0.36 0.00 -0.53 0.00 0.00 54.79 51.35 1waf n ASP 515 Cb 0.50 -1.54 -0.07 0.00 -0.64 0.00 0.00 41.12 39.37 1waf n ASP 515 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1waf s VAL 516 N 2.61 5.37 -1.18 2.53 -7.23 -1.26 -5.01 120.40 116.23 1waf s VAL 516 Ca 0.61 0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 61.00 1waf s VAL 516 Cb 0.16 -3.53 0.21 0.00 0.56 0.00 0.00 36.38 33.79 1waf s VAL 516 CO -0.06 0.45 1.35 -0.67 -0.31 0.00 0.00 175.10 175.85 1waf n ASP 517 N 3.33 5.35 -0.17 4.85 2.03 -1.26 -4.89 116.55 125.79 1waf n ASP 517 Ca -0.15 -3.01 0.28 0.00 0.52 0.00 0.00 54.79 52.43 1waf n ASP 517 Cb 0.52 -1.50 0.53 0.00 -0.72 0.00 0.00 41.12 39.95 1waf n ASP 517 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1waf h TYR 518 N 6.88 0.00 -1.72 -0.67 0.05 -1.96 -2.99 116.97 116.56 1waf h TYR 518 Ca 0.27 0.00 0.50 0.00 0.05 0.00 0.00 58.73 59.55 1waf h TYR 518 Cb 0.86 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.53 1waf h TYR 518 CO 0.99 0.00 1.33 0.54 -1.05 0.00 0.00 178.16 179.97 1waf n ARG 519 N -3.39 0.00 -4.36 4.88 3.00 -1.26 -3.16 116.66 112.38 1waf n ARG 519 Ca 0.21 1.03 -0.25 0.00 -0.01 0.00 0.00 57.85 58.82 1waf n ARG 519 Cb 1.34 -2.42 -0.12 0.00 0.00 0.00 0.00 32.46 31.27 1waf n ARG 519 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1waf s PHE 520 N -4.69 2.06 0.94 -1.55 0.08 -1.13 -4.47 117.98 109.21 1waf s PHE 520 Ca -0.04 -0.40 -0.11 0.00 0.12 0.00 0.00 56.93 56.49 1waf s PHE 520 Cb 0.23 -1.07 0.09 0.00 -0.57 0.00 0.00 43.02 41.70 1waf s PHE 520 CO 0.77 0.35 0.76 -0.25 -0.10 0.00 0.00 175.22 176.75 1waf n ASP 521 N 0.62 -0.94 0.00 1.36 8.00 -1.26 -4.78 116.55 119.55 1waf n ASP 521 Ca -0.16 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1waf n ASP 521 Cb 0.55 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.31 1waf n ASP 521 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1waf n PHE 522 N -3.91 0.00 0.00 1.24 3.72 -1.26 -5.05 117.46 112.20 1waf n PHE 522 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1waf n PHE 522 Cb 0.53 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1waf n PHE 522 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1waf n SER 523 N -0.56 0.00 0.25 4.37 2.88 -1.26 -4.84 113.62 114.47 1waf n SER 523 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1waf n SER 523 Cb 0.00 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.13 1waf n SER 523 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1waf h ASP 524 N 0.00 0.00 0.13 -3.46 5.19 -1.98 -0.46 116.42 115.84 1waf h ASP 524 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1waf h ASP 524 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1waf h ASP 524 CO 0.00 0.15 -0.10 -0.08 -3.12 0.00 0.00 179.24 176.08 1waf h GLU 525 N 0.00 -0.23 -0.04 3.56 4.22 -2.01 -1.99 114.58 118.09 1waf h GLU 525 Ca -0.00 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1waf h GLU 525 Cb 0.38 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1waf h GLU 525 CO 0.02 -0.16 -0.00 0.82 -2.18 0.00 0.00 179.01 177.51 1waf h ILE 526 N -0.24 1.25 -0.55 2.32 1.08 -1.82 -3.06 117.51 116.48 1waf h ILE 526 Ca -0.00 -0.77 0.16 0.00 -0.39 0.00 0.00 64.86 63.86 1waf h ILE 526 Cb 0.22 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 1waf h ILE 526 CO -0.01 0.21 0.57 0.11 -0.69 0.00 0.00 178.15 178.33 1waf h LYS 527 N -0.24 0.00 0.15 2.37 1.57 -0.86 -1.11 116.57 118.45 1waf h LYS 527 Ca 0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.49 1waf h LYS 527 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1waf h LYS 527 CO 0.00 0.00 -1.40 0.93 -0.57 0.00 0.00 179.45 178.41 1waf h GLU 528 N 0.00 0.32 0.00 3.15 3.07 -1.26 -3.26 114.58 116.61 1waf h GLU 528 Ca 0.26 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1waf h GLU 528 Cb 1.40 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.51 1waf h GLU 528 CO -0.00 1.23 0.00 1.63 -1.40 0.00 0.00 179.01 180.47 1waf n LYS 529 N -3.54 0.15 -0.02 2.33 5.02 -0.45 -3.16 118.16 118.49 1waf n LYS 529 Ca -0.13 0.29 -0.16 0.00 -2.02 0.00 0.00 58.31 56.29 1waf n LYS 529 Cb 1.05 -1.74 -0.11 0.00 -0.02 0.00 0.00 35.03 34.21 1waf n LYS 529 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1waf h ILE 530 N 0.00 1.51 0.00 -0.18 1.08 -1.53 -3.18 117.51 115.21 1waf h ILE 530 Ca 0.00 -1.99 -0.02 0.00 -0.39 0.00 0.00 64.86 62.45 1waf h ILE 530 Cb 0.44 2.72 -0.00 0.00 -3.07 0.00 0.00 36.82 36.91 1waf h ILE 530 CO 0.00 0.56 -0.12 0.11 -0.69 0.00 0.00 178.15 178.01 1waf h LYS 531 N -0.38 0.00 0.00 2.37 1.57 -1.65 -1.89 116.57 116.59 1waf h LYS 531 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1waf h LYS 531 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1waf h LYS 531 CO 0.07 0.12 0.00 1.17 -0.57 0.00 0.00 179.45 180.24 1waf n LYS 532 N -3.40 0.83 -4.31 3.15 4.81 -1.20 -4.82 118.16 113.22 1waf n LYS 532 Ca -0.01 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.20 1waf n LYS 532 Cb 0.30 -1.29 -0.08 0.00 0.02 0.00 0.00 35.03 33.98 1waf n LYS 532 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1waf s LEU 533 N -1.59 3.13 0.40 3.14 1.02 -0.71 -4.50 118.68 119.56 1waf s LEU 533 Ca 0.24 -0.69 0.08 0.00 0.02 0.00 0.00 54.13 53.78 1waf s LEU 533 Cb 0.11 -1.65 0.00 0.00 0.02 0.00 0.00 46.19 44.67 1waf s LEU 533 CO 0.18 0.01 0.52 -0.94 0.02 0.00 0.00 176.35 176.14 1waf s SER 534 N -3.65 5.68 0.37 2.29 1.04 -1.26 -2.84 113.70 115.34 1waf s SER 534 Ca 0.31 -0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.42 1waf s SER 534 Cb -0.06 -0.80 0.79 0.00 0.10 0.00 0.00 66.02 66.04 1waf s SER 534 CO 0.19 -0.66 1.96 0.00 0.98 0.00 0.00 173.24 175.71 1waf h ALA 535 N 0.74 1.75 0.56 5.32 0.00 -1.92 0.46 119.26 126.17 1waf h ALA 535 Ca -0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1waf h ALA 535 Cb 1.27 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1waf h ALA 535 CO 0.48 0.13 -0.27 -0.22 0.00 0.00 0.00 179.25 179.38 1waf h LYS 536 N 0.70 -0.72 -0.06 0.00 3.11 -1.97 -3.21 116.57 114.42 1waf h LYS 536 Ca 0.31 0.05 0.02 0.00 -2.81 0.00 0.00 60.65 58.21 1waf h LYS 536 Cb 0.30 0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1waf h LYS 536 CO -0.10 -0.48 0.04 0.77 -2.81 0.00 0.00 179.45 176.87 1waf h SER 537 N -1.05 0.00 0.00 4.20 0.02 -1.73 -3.40 113.55 111.59 1waf h SER 537 Ca -0.08 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1waf h SER 537 Cb 0.58 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1waf h SER 537 CO 0.13 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.00 1waf n LEU 538 N -4.52 0.00 0.00 5.07 4.77 0.16 -4.06 117.00 118.42 1waf n LEU 538 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1waf n LEU 538 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1waf n LEU 538 CO 0.34 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.99 1waf n ASN 539 N 0.00 0.00 0.18 -1.43 3.02 -1.21 -2.11 115.26 113.70 1waf n ASN 539 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 1waf n ASN 539 Cb 0.00 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.46 1waf n ASN 539 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1waf h GLU 540 N 0.00 0.00 0.41 3.52 4.57 -1.83 0.63 114.58 121.88 1waf h GLU 540 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1waf h GLU 540 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1waf h GLU 540 CO 0.00 0.42 -0.20 1.98 -1.18 0.00 0.00 179.01 180.04 1waf h MET 541 N 0.00 -0.53 0.00 1.92 4.05 -1.67 -2.14 114.93 116.56 1waf h MET 541 Ca -0.00 0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 1waf h MET 541 Cb 0.96 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.88 1waf h MET 541 CO 0.05 -0.25 -0.21 1.25 0.23 0.00 0.00 176.91 177.98 1waf h LEU 542 N -0.76 0.00 0.18 3.39 6.46 -1.77 -2.97 115.31 119.83 1waf h LEU 542 Ca -0.06 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1waf h LEU 542 Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1waf h LEU 542 CO 0.09 0.21 -0.09 0.15 -0.62 0.00 0.00 178.44 178.19 1waf h PHE 543 N 0.00 -0.23 -0.43 1.25 3.57 -0.83 -2.79 116.94 117.49 1waf h PHE 543 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1waf h PHE 543 Cb 0.74 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1waf h PHE 543 CO 0.00 0.18 0.09 0.00 -2.23 0.00 0.00 178.31 176.35 1waf h ARG 544 N -0.77 0.21 0.42 1.11 3.08 -1.41 0.22 114.38 117.25 1waf h ARG 544 Ca -0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1waf h ARG 544 Cb 0.51 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1waf h ARG 544 CO 0.04 0.14 -0.21 0.00 -1.07 0.00 0.00 179.97 178.88 1waf h ALA 545 N 1.32 -1.14 -0.54 0.04 0.00 -1.62 1.84 119.26 119.16 1waf h ALA 545 Ca 0.21 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.15 1waf h ALA 545 Cb 0.26 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1waf h ALA 545 CO -0.27 -1.11 0.55 -0.56 0.00 0.00 0.00 179.25 177.87 1waf h GLN 546 N -0.57 0.00 0.00 0.00 3.07 -1.41 0.30 115.11 116.50 1waf h GLN 546 Ca -0.06 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.41 1waf h GLN 546 Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.95 1waf h GLN 546 CO 0.09 0.00 -1.79 -2.13 0.09 0.00 0.00 178.83 175.09 1waf n ARG 547 N -3.73 0.64 0.22 0.06 0.00 0.75 -2.28 116.66 112.32 1waf n ARG 547 Ca 0.10 0.20 0.13 0.00 -0.00 0.00 0.00 57.85 58.29 1waf n ARG 547 Cb 0.76 -1.73 0.31 0.00 0.00 0.00 0.00 32.46 31.80 1waf n ARG 547 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1waf h THR 548 N 0.00 0.00 0.08 5.15 1.35 0.58 0.35 112.91 120.42 1waf h THR 548 Ca -0.30 -0.83 -0.25 0.00 -0.55 0.00 0.00 66.41 64.48 1waf h THR 548 Cb 1.92 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 70.15 1waf h THR 548 CO 0.06 0.00 -1.19 -0.08 -0.25 0.00 0.00 175.52 174.06 1waf h GLU 549 N 0.00 0.17 0.00 4.72 4.81 -0.68 0.23 114.58 123.83 1waf h GLU 549 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1waf h GLU 549 Cb 0.86 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1waf h GLU 549 CO 0.00 1.12 0.00 0.28 -0.73 0.00 0.00 179.01 179.68 1waf n VAL 550 N -3.45 0.00 -0.07 0.32 0.31 -0.75 -2.41 118.33 112.28 1waf n VAL 550 Ca -0.06 0.89 -0.02 0.00 -0.01 0.00 0.00 64.34 65.14 1waf n VAL 550 Cb 1.00 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 32.13 1waf n VAL 550 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1waf n ALA 551 N -0.50 -0.10 -0.20 3.52 0.00 0.12 -0.24 120.51 123.10 1waf n ALA 551 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1waf n ALA 551 Cb 0.00 0.21 0.04 0.00 0.00 0.00 0.00 19.45 19.70 1waf n ALA 551 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1waf h GLY 552 N 0.00 0.21 1.54 0.00 0.00 -0.67 -0.59 103.07 103.56 1waf h GLY 552 Ca 0.03 0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.70 1waf h GLY 552 CO -0.15 -0.23 0.23 0.00 0.00 0.00 0.00 176.54 176.38 1waf h MET 553 N -0.08 0.28 -0.46 4.80 3.00 -0.25 -1.49 114.93 120.74 1waf h MET 553 Ca 0.27 -0.02 0.09 0.00 0.00 0.00 0.00 59.70 60.05 1waf h MET 553 Cb 0.51 -0.06 -0.08 0.00 0.00 0.00 0.00 31.60 31.96 1waf h MET 553 CO -0.66 0.19 -0.07 1.15 0.00 0.00 0.00 176.91 177.52 1waf h THR 554 N 0.29 0.58 -0.76 -0.10 2.02 -0.63 -2.01 112.91 112.31 1waf h THR 554 Ca 0.14 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 1waf h THR 554 Cb 0.20 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1waf h THR 554 CO -0.03 0.01 0.27 0.00 0.37 0.00 0.00 175.52 176.14 1waf h ALA 555 N 1.44 0.98 -0.97 6.16 0.00 -1.27 -1.93 119.26 123.67 1waf h ALA 555 Ca 0.22 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 55.12 1waf h ALA 555 Cb 0.34 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 1waf h ALA 555 CO -0.44 0.64 0.61 0.37 0.00 0.00 0.00 179.25 180.43 1waf h GLN 556 N 1.11 0.61 -0.08 0.00 -0.00 -1.23 0.29 115.11 115.80 1waf h GLN 556 Ca 0.25 -0.04 -0.10 0.00 -0.00 0.00 0.00 58.65 58.76 1waf h GLN 556 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.60 1waf h GLN 556 CO -0.01 0.41 -0.35 0.82 0.00 0.00 0.00 178.83 179.69 1waf h ILE 557 N 0.63 1.41 -0.82 2.39 1.08 -1.13 -2.96 117.51 118.10 1waf h ILE 557 Ca 0.54 -1.72 0.08 0.00 -0.39 0.00 0.00 64.86 63.36 1waf h ILE 557 Cb 1.00 2.26 -0.11 0.00 -3.07 0.00 0.00 36.82 36.91 1waf h ILE 557 CO -0.29 0.50 -0.58 -1.13 -0.69 0.00 0.00 178.15 175.96 1waf h ASN 558 N -0.08 -2.08 -0.17 1.72 -0.73 -0.21 0.17 115.58 114.20 1waf h ASN 558 Ca -0.02 0.30 0.05 0.00 1.87 0.00 0.00 56.30 58.50 1waf h ASN 558 Cb 0.99 0.90 -0.05 0.00 0.27 0.00 0.00 38.32 40.43 1waf h ASN 558 CO 0.07 -0.28 -0.15 0.03 -0.37 0.00 0.00 177.43 176.73 1waf h ARG 559 N -0.12 -0.16 -1.07 6.67 2.47 -1.35 -0.09 114.38 120.73 1waf h ARG 559 Ca 0.13 0.01 0.35 0.00 -1.26 0.00 0.00 59.98 59.21 1waf h ARG 559 Cb 0.47 0.04 -0.14 0.00 -1.65 0.00 0.00 29.97 28.68 1waf h ARG 559 CO -0.84 -0.10 0.64 -0.22 0.56 0.00 0.00 179.97 180.00 1waf h LYS 560 N -0.16 0.25 0.42 0.04 3.64 -0.58 0.25 116.57 120.43 1waf h LYS 560 Ca 0.11 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1waf h LYS 560 Cb 0.32 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1waf h LYS 560 CO -0.27 0.17 -0.20 -0.07 -2.27 0.00 0.00 179.45 176.81 1waf h LEU 561 N 0.26 -0.48 -0.81 5.20 3.38 0.80 -2.60 115.31 121.06 1waf h LEU 561 Ca 0.74 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.82 1waf h LEU 561 Cb 1.88 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 42.64 1waf h LEU 561 CO -0.54 -0.15 -0.52 -0.07 0.09 0.00 0.00 178.44 177.24 1waf h LEU 562 N -0.95 -1.87 -1.19 1.67 4.07 -0.35 1.30 115.31 117.99 1waf h LEU 562 Ca -0.06 0.30 0.23 0.00 0.08 0.00 0.00 57.88 58.43 1waf h LEU 562 Cb 0.43 0.84 -0.10 0.00 1.08 0.00 0.00 40.66 42.91 1waf h LEU 562 CO 0.09 -0.29 0.63 0.40 -1.08 0.00 0.00 178.44 178.19 1waf h ILE 563 N -0.11 0.59 0.00 1.22 2.04 -0.70 -1.77 117.51 118.78 1waf h ILE 563 Ca 0.18 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 1waf h ILE 563 Cb 0.50 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1waf h ILE 563 CO -0.84 0.10 -0.88 0.78 0.00 0.00 0.00 178.15 177.31 1waf h ASN 564 N 0.55 0.00 -0.56 1.72 4.21 0.19 -3.29 115.58 118.40 1waf h ASN 564 Ca 0.59 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 58.04 1waf h ASN 564 Cb 1.24 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.40 1waf h ASN 564 CO -0.36 0.71 0.08 -1.54 -1.29 0.00 0.00 177.43 175.03 1waf n SER 565 N -3.21 4.99 0.06 5.81 3.41 0.12 -4.45 113.62 120.36 1waf n SER 565 Ca -0.02 -2.90 -0.04 0.00 -0.26 0.00 0.00 58.87 55.65 1waf n SER 565 Cb 0.84 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 1waf n SER 565 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1waf h LEU 566 N 3.19 -0.22 -1.85 1.04 5.85 -1.51 -3.26 115.31 118.56 1waf h LEU 566 Ca 0.08 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1waf h LEU 566 Cb 1.93 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 1waf h LEU 566 CO 0.51 0.22 0.42 0.22 -0.34 0.00 0.00 178.44 179.47 1waf h TYR 567 N -1.02 0.00 0.42 1.25 5.03 -1.84 0.40 116.97 121.21 1waf h TYR 567 Ca -0.03 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 1waf h TYR 567 Cb 0.20 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 1waf h TYR 567 CO 0.00 0.00 -0.27 0.78 -1.32 0.00 0.00 178.16 177.35 1waf h GLY 568 N 0.00 -0.70 1.08 1.82 0.00 -1.82 -2.42 103.07 101.02 1waf h GLY 568 Ca 0.06 0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.60 1waf h GLY 568 CO -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 176.54 176.34 1waf h ALA 569 N -0.14 0.87 -0.56 3.60 0.00 -0.29 -3.02 119.26 119.72 1waf h ALA 569 Ca -0.04 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1waf h ALA 569 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1waf h ALA 569 CO 0.03 0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 179.85 1waf h LEU 570 N 1.02 0.99 0.00 0.00 3.38 -1.50 -1.56 115.31 117.64 1waf h LEU 570 Ca 0.19 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1waf h LEU 570 Cb 0.49 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1waf h LEU 570 CO 0.02 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.22 1waf n GLY 571 N -0.41 -0.76 3.49 0.83 0.00 -0.91 -4.43 105.19 102.99 1waf n GLY 571 Ca 0.02 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1waf n GLY 571 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1waf s ASN 572 N -1.85 5.55 0.24 1.61 3.04 -0.59 -4.99 114.94 117.96 1waf s ASN 572 Ca 0.29 -0.25 -0.05 0.00 0.04 0.00 0.00 52.86 52.89 1waf s ASN 572 Cb 0.13 -2.01 0.44 0.00 -1.54 0.00 0.00 41.25 38.27 1waf s ASN 572 CO 0.23 -0.10 1.33 0.52 -3.04 0.00 0.00 177.10 176.04 1waf n VAL 573 N 4.99 -0.36 0.26 -5.21 0.31 -1.26 0.05 118.33 117.11 1waf n VAL 573 Ca -0.15 1.94 0.15 0.00 -0.01 0.00 0.00 64.34 66.27 1waf n VAL 573 Cb 0.51 -2.71 0.47 0.00 -0.91 0.00 0.00 33.84 31.20 1waf n VAL 573 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 1waf h TRP 574 N 0.00 0.00 -2.51 3.52 4.06 -1.91 -3.38 115.95 115.73 1waf h TRP 574 Ca 0.43 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.85 1waf h TRP 574 Cb 0.70 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.89 1waf h TRP 574 CO -0.62 0.00 1.14 0.12 -3.56 0.00 0.00 178.44 175.52 1waf s PHE 575 N -3.47 1.85 0.20 0.49 5.36 0.11 -4.80 117.98 117.71 1waf s PHE 575 Ca 0.04 -0.11 -0.22 0.00 -0.96 0.00 0.00 56.93 55.67 1waf s PHE 575 Cb 0.07 -4.14 0.11 0.00 -0.34 0.00 0.00 43.02 38.72 1waf s PHE 575 CO 0.59 -4.86 1.50 -2.13 -1.46 0.00 0.00 175.22 168.86 1waf n ARG 576 N 6.52 -0.31 0.00 10.12 0.63 -1.26 0.18 116.66 132.54 1waf n ARG 576 Ca 0.18 1.48 0.00 0.00 -0.92 0.00 0.00 57.85 58.60 1waf n ARG 576 Cb 0.40 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1waf n ARG 576 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1waf n TYR 577 N -5.34 0.00 -2.22 -0.14 4.02 -1.26 -4.76 117.16 107.46 1waf n TYR 577 Ca 0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.55 1waf n TYR 577 Cb 0.33 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.61 1waf n TYR 577 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1waf s TYR 578 N -1.77 3.17 -0.27 -0.72 5.04 0.13 -4.82 117.35 118.11 1waf s TYR 578 Ca 0.00 1.50 -0.12 0.00 -2.44 0.00 0.00 57.07 56.01 1waf s TYR 578 Cb 0.00 -3.55 0.09 0.00 0.35 0.00 0.00 41.96 38.85 1waf s TYR 578 CO 0.00 -1.49 0.62 0.34 -1.34 0.00 0.00 175.55 173.68 1waf s ASP 579 N -0.67 -0.90 0.17 4.32 -1.08 -1.26 -5.03 116.67 112.21 1waf s ASP 579 Ca 0.49 1.42 -0.15 0.00 -0.52 0.00 0.00 52.55 53.79 1waf s ASP 579 Cb -0.37 1.61 0.08 0.00 -1.46 0.00 0.00 42.92 42.79 1waf s ASP 579 CO 0.48 -0.23 1.78 0.25 0.52 0.00 0.00 175.17 177.98 1waf h LEU 580 N 7.45 0.32 -0.79 -1.34 5.85 -1.95 -0.90 115.31 123.95 1waf h LEU 580 Ca -0.26 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1waf h LEU 580 Cb 1.17 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 1waf h LEU 580 CO 0.15 0.23 0.48 0.03 -0.34 0.00 0.00 178.44 178.99 1waf h ARG 581 N 0.44 0.84 0.70 1.25 3.08 -1.99 0.15 114.38 118.85 1waf h ARG 581 Ca 0.19 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1waf h ARG 581 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1waf h ARG 581 CO -0.13 0.55 -0.48 -0.91 -1.07 0.00 0.00 179.97 177.93 1waf h ASN 582 N 0.86 -1.25 -0.33 7.04 2.35 -1.80 -0.36 115.58 122.09 1waf h ASN 582 Ca 0.35 0.08 0.06 0.00 -0.55 0.00 0.00 56.30 56.24 1waf h ASN 582 Cb 0.19 0.38 -0.08 0.00 0.05 0.00 0.00 38.32 38.86 1waf h ASN 582 CO -0.18 -0.72 -0.42 0.00 -1.65 0.00 0.00 177.43 174.46 1waf h ALA 583 N -1.02 -0.47 -0.90 -0.83 0.00 -0.77 -1.47 119.26 113.80 1waf h ALA 583 Ca -0.09 0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1waf h ALA 583 Cb 0.93 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 19.50 1waf h ALA 583 CO 0.06 -0.88 0.53 1.15 0.00 0.00 0.00 179.25 180.11 1waf h THR 584 N -0.37 0.91 -0.72 0.00 2.02 -0.59 -1.23 112.91 112.93 1waf h THR 584 Ca 0.12 -0.30 0.15 0.00 0.77 0.00 0.00 66.41 67.16 1waf h THR 584 Cb 0.59 -0.04 -0.13 0.00 -1.74 0.00 0.00 68.15 66.84 1waf h THR 584 CO -0.52 0.16 -0.06 0.00 0.37 0.00 0.00 175.52 175.46 1waf h ALA 585 N 1.49 0.64 -2.26 6.16 0.00 0.02 0.16 119.26 125.47 1waf h ALA 585 Ca 0.44 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1waf h ALA 585 Cb 0.42 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1waf h ALA 585 CO -0.26 -0.42 0.00 -0.89 0.00 0.00 0.00 179.25 177.68 1waf n ILE 586 N -5.38 0.00 -0.32 0.00 5.41 -0.49 -1.10 119.36 117.48 1waf n ILE 586 Ca 0.11 1.12 0.22 0.00 1.00 0.00 0.00 62.75 65.20 1waf n ILE 586 Cb 0.42 -2.11 0.43 0.00 -0.71 0.00 0.00 39.64 37.67 1waf n ILE 586 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1waf h THR 587 N 0.00 0.12 -0.12 1.39 1.03 -1.21 0.53 112.91 114.65 1waf h THR 587 Ca 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 66.41 66.35 1waf h THR 587 Cb 0.00 0.01 -0.00 0.00 -1.07 0.00 0.00 68.15 67.08 1waf h THR 587 CO 0.00 0.02 0.02 0.71 -0.01 0.00 0.00 175.52 176.26 1waf h THR 588 N 0.10 1.22 0.23 0.00 1.35 -0.98 0.75 112.91 115.57 1waf h THR 588 Ca 0.71 -0.68 0.01 0.00 -0.55 0.00 0.00 66.41 65.90 1waf h THR 588 Cb 1.66 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 69.49 1waf h THR 588 CO -0.76 0.20 -0.41 0.15 -0.25 0.00 0.00 175.52 174.44 1waf h PHE 589 N -0.03 -1.15 -0.49 4.73 3.04 0.15 0.10 116.94 123.29 1waf h PHE 589 Ca 0.04 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.11 1waf h PHE 589 Cb 0.29 0.47 -0.10 0.00 2.56 0.00 0.00 35.95 39.17 1waf h PHE 589 CO 0.02 -0.53 -0.24 0.78 -2.02 0.00 0.00 178.31 176.31 1waf h GLY 590 N -0.72 0.07 0.33 2.40 0.00 -0.45 0.58 103.07 105.28 1waf h GLY 590 Ca -0.00 0.31 0.23 0.00 0.00 0.00 0.00 47.33 47.87 1waf h GLY 590 CO -0.17 -0.21 0.59 1.46 0.00 0.00 0.00 176.54 178.20 1waf h GLN 591 N -0.13 0.14 0.13 4.80 4.20 0.13 -2.55 115.11 121.82 1waf h GLN 591 Ca 0.23 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1waf h GLN 591 Cb 0.49 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1waf h GLN 591 CO -0.57 0.09 -0.06 1.98 -0.67 0.00 0.00 178.83 179.60 1waf h MET 592 N 0.15 -0.16 -1.14 1.46 4.05 0.26 -3.36 114.93 116.19 1waf h MET 592 Ca 0.42 0.01 0.38 0.00 -0.28 0.00 0.00 59.70 60.23 1waf h MET 592 Cb 1.43 0.04 -0.14 0.00 -0.80 0.00 0.00 31.60 32.12 1waf h MET 592 CO -0.07 0.15 0.69 0.00 0.23 0.00 0.00 176.91 177.91 1waf h ALA 593 N -0.68 2.35 -0.84 0.39 0.00 -0.80 0.26 119.26 119.95 1waf h ALA 593 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1waf h ALA 593 Cb 0.38 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1waf h ALA 593 CO 0.03 -0.98 0.00 1.28 0.00 0.00 0.00 179.25 179.58 1waf n LEU 594 N -4.89 0.00 0.29 0.00 7.99 -1.17 -0.93 117.00 118.29 1waf n LEU 594 Ca 0.35 0.86 0.18 0.00 -0.01 0.00 0.00 56.01 57.38 1waf n LEU 594 Cb 1.22 -0.36 0.87 0.00 -0.11 0.00 0.00 43.42 45.04 1waf n LEU 594 CO 0.14 -0.36 1.05 0.06 -1.51 0.00 0.00 177.39 176.77 1waf h GLN 595 N 0.00 0.00 0.55 3.23 3.07 -1.47 0.26 115.11 120.75 1waf h GLN 595 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 1waf h GLN 595 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.57 1waf h GLN 595 CO 0.00 0.04 -0.26 2.35 0.09 0.00 0.00 178.83 181.05 1waf h TRP 596 N 0.00 -0.68 0.00 0.06 2.91 -0.44 0.35 115.95 118.15 1waf h TRP 596 Ca -0.00 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 1waf h TRP 596 Cb 0.29 0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 29.17 1waf h TRP 596 CO 0.00 -0.42 -0.05 0.97 -1.03 0.00 0.00 178.44 177.90 1waf h ILE 597 N -0.84 0.85 0.19 2.65 6.09 -0.61 -1.87 117.51 123.98 1waf h ILE 597 Ca -0.08 -0.19 -0.01 0.00 -1.37 0.00 0.00 64.86 63.22 1waf h ILE 597 Cb 0.56 1.11 0.00 0.00 0.47 0.00 0.00 36.82 38.96 1waf h ILE 597 CO 0.12 0.05 -0.09 1.05 -3.07 0.00 0.00 178.15 176.21 1waf h GLU 598 N 0.00 -0.25 0.15 2.19 4.11 -0.34 -1.08 114.58 119.36 1waf h GLU 598 Ca -0.00 0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.45 1waf h GLU 598 Cb 0.10 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1waf h GLU 598 CO 0.01 -0.02 -0.40 -0.09 0.07 0.00 0.00 179.01 178.57 1waf h ARG 599 N -0.44 -0.59 -0.94 1.06 2.43 -0.20 -2.51 114.38 113.19 1waf h ARG 599 Ca -0.03 0.04 0.27 0.00 -0.81 0.00 0.00 59.98 59.45 1waf h ARG 599 Cb 0.34 0.13 -0.17 0.00 -0.42 0.00 0.00 29.97 29.85 1waf h ARG 599 CO 0.04 -0.39 0.05 1.63 -1.51 0.00 0.00 179.97 179.79 1waf n LYS 600 N -4.76 -0.07 0.00 0.20 4.76 -0.77 -0.78 118.16 116.73 1waf n LYS 600 Ca -0.07 1.40 0.00 0.00 -2.87 0.00 0.00 58.31 56.77 1waf n LYS 600 Cb 0.32 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 1waf n LYS 600 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1waf n VAL 601 N -5.37 0.00 -0.34 -0.18 0.31 -0.41 -1.83 118.33 110.50 1waf n VAL 601 Ca 0.23 1.48 0.08 0.00 -0.01 0.00 0.00 64.34 66.12 1waf n VAL 601 Cb 0.76 -2.40 0.17 0.00 -0.91 0.00 0.00 33.84 31.46 1waf n VAL 601 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1waf n ASN 602 N -2.10 -0.27 0.00 4.52 3.02 0.04 -0.40 115.26 120.06 1waf n ASN 602 Ca 0.00 1.62 0.00 0.00 -0.03 0.00 0.00 54.58 56.17 1waf n ASN 602 Cb 0.00 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1waf n ASN 602 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1waf n GLU 603 N -5.50 0.00 -0.28 3.52 2.13 -0.29 0.10 120.64 120.32 1waf n GLU 603 Ca 0.17 0.53 -0.07 0.00 0.66 0.00 0.00 57.16 58.45 1waf n GLU 603 Cb 0.55 -1.31 -0.07 0.00 0.27 0.00 0.00 31.44 30.88 1waf n GLU 603 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1waf n TYR 604 N -1.80 -0.29 0.14 4.31 4.19 -0.48 -1.50 117.16 121.73 1waf n TYR 604 Ca 0.00 0.83 -0.07 0.00 3.31 0.00 0.00 57.90 61.97 1waf n TYR 604 Cb 0.00 -0.54 -0.04 0.00 0.49 0.00 0.00 39.34 39.25 1waf n TYR 604 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1waf h LEU 605 N 0.00 -0.52 0.00 2.98 3.38 -0.57 0.40 115.31 120.99 1waf h LEU 605 Ca 0.11 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1waf h LEU 605 Cb 0.27 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1waf h LEU 605 CO -0.63 -0.28 0.00 -0.46 0.09 0.00 0.00 178.44 177.17 1waf n ASN 606 N -3.50 0.00 -0.09 -0.43 2.04 0.12 -0.50 115.26 112.89 1waf n ASN 606 Ca -0.05 0.23 -0.18 0.00 -0.44 0.00 0.00 54.58 54.14 1waf n ASN 606 Cb 0.19 -0.24 -0.10 0.00 -2.53 0.00 0.00 39.78 37.10 1waf n ASN 606 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1waf h GLU 607 N 0.00 0.00 -0.08 -3.83 4.22 -0.51 0.61 114.58 114.99 1waf h GLU 607 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1waf h GLU 607 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1waf h GLU 607 CO 0.00 0.82 -0.06 0.28 -2.18 0.00 0.00 179.01 177.87 1waf h VAL 608 N -1.00 1.10 0.00 0.32 2.07 0.24 0.13 116.25 119.12 1waf h VAL 608 Ca -0.25 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1waf h VAL 608 Cb 1.11 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1waf h VAL 608 CO -0.15 0.13 -0.81 0.00 0.02 0.00 0.00 177.57 176.76 1waf n GLY 610 N 1.31 -1.07 3.37 0.00 0.00 0.46 -5.03 105.19 104.23 1waf n GLY 610 Ca 0.02 0.52 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 1waf n GLY 610 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1waf n THR 611 N -3.57 0.00 -3.80 2.61 -2.24 0.20 -4.99 114.28 102.48 1waf n THR 611 Ca -0.09 -2.32 -0.14 0.00 -2.27 0.00 0.00 64.05 59.23 1waf n THR 611 Cb 0.61 0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 69.38 1waf n THR 611 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1waf s GLU 612 N -3.62 -0.00 -1.54 -0.78 0.41 -1.26 -4.55 118.70 107.36 1waf s GLU 612 Ca 0.12 0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.83 1waf s GLU 612 Cb 0.01 -0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.21 1waf s GLU 612 CO 0.08 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 1waf n GLY 613 N 3.80 0.41 3.57 -1.39 0.00 -1.26 -4.93 105.19 105.39 1waf n GLY 613 Ca -0.22 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1waf n GLY 613 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1waf s GLU 614 N -4.31 3.59 -0.49 1.61 2.56 -1.26 -4.99 118.70 115.42 1waf s GLU 614 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 54.97 54.91 1waf s GLU 614 Cb 0.00 -3.89 0.03 0.00 2.00 0.00 0.00 34.13 32.27 1waf s GLU 614 CO 0.00 -1.12 1.04 0.00 -0.56 0.00 0.00 175.26 174.63 1waf s ALA 615 N 3.56 3.17 -0.21 6.30 0.00 -1.26 -4.61 121.76 128.71 1waf s ALA 615 Ca 0.35 -0.71 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 1waf s ALA 615 Cb -0.11 -3.80 -0.19 0.00 0.00 0.00 0.00 23.12 19.02 1waf s ALA 615 CO 0.23 -2.24 0.14 1.19 0.00 0.00 0.00 175.76 175.08 1waf n PHE 616 N 7.62 0.88 -1.62 0.00 3.72 -1.26 -4.77 117.46 122.03 1waf n PHE 616 Ca 0.08 0.34 -0.38 0.00 -0.05 0.00 0.00 57.45 57.44 1waf n PHE 616 Cb 0.49 -1.09 -0.03 0.00 -0.94 0.00 0.00 39.48 37.90 1waf n PHE 616 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1waf s VAL 617 N -2.41 3.05 0.07 -4.37 1.01 -1.26 -2.93 120.40 113.55 1waf s VAL 617 Ca -0.30 0.03 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1waf s VAL 617 Cb 0.07 -3.10 -0.16 0.00 0.00 0.00 0.00 36.38 33.20 1waf s VAL 617 CO 0.60 -0.09 1.31 0.25 0.00 0.00 0.00 175.10 177.18 1waf h LEU 618 N 18.05 0.00 -7.00 3.92 7.12 -0.33 -3.49 115.31 133.59 1waf h LEU 618 Ca -0.29 0.00 0.17 0.00 0.13 0.00 0.00 57.88 57.89 1waf h LEU 618 Cb 1.25 0.00 -0.23 0.00 -0.53 0.00 0.00 40.66 41.15 1waf h LEU 618 CO 1.11 0.90 0.72 -0.47 -0.13 0.00 0.00 178.44 180.57 1waf s TYR 619 N -2.76 -0.22 0.06 1.25 5.04 -1.23 -4.45 117.35 115.05 1waf s TYR 619 Ca 0.02 0.32 -0.08 0.00 -2.44 0.00 0.00 57.07 54.88 1waf s TYR 619 Cb 0.10 0.48 -0.00 0.00 0.35 0.00 0.00 41.96 42.89 1waf s TYR 619 CO 0.81 -0.24 0.17 0.20 -1.34 0.00 0.00 175.55 175.14 1waf s GLY 620 N -1.42 0.10 -0.29 8.97 0.00 -1.26 -0.31 107.32 113.11 1waf s GLY 620 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1waf s GLY 620 CO -0.03 -0.69 0.58 -0.35 0.00 0.00 0.00 173.10 172.61 1waf s ASP 621 N -2.48 -1.31 0.00 1.64 -1.08 -0.45 -2.26 116.67 110.73 1waf s ASP 621 Ca 0.00 0.70 0.00 0.00 -0.52 0.00 0.00 52.55 52.73 1waf s ASP 621 Cb 0.02 2.07 0.00 0.00 -1.46 0.00 0.00 42.92 43.55 1waf s ASP 621 CO -0.07 -0.27 0.00 0.41 0.52 0.00 0.00 175.17 175.75 1waf n THR 622 N 5.42 0.00 -2.04 1.71 -1.04 0.37 -2.63 114.28 116.07 1waf n THR 622 Ca -0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1waf n THR 622 Cb 0.51 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.01 1waf n THR 622 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1waf n ASP 623 N 0.00 -0.19 -4.12 8.00 5.75 -1.26 -4.81 116.55 119.93 1waf n ASP 623 Ca 0.00 -1.48 -0.08 0.00 -0.01 0.00 0.00 54.79 53.21 1waf n ASP 623 Cb 0.00 0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.02 1waf n ASP 623 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1waf s SER 624 N -0.56 0.69 0.10 -1.12 1.04 -1.08 -1.65 113.70 111.11 1waf s SER 624 Ca 0.03 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1waf s SER 624 Cb 0.03 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1waf s SER 624 CO -0.01 -0.56 -0.01 0.27 0.98 0.00 0.00 173.24 173.90 1waf s ILE 625 N -3.83 0.38 -0.11 -1.02 -4.36 -0.80 -1.34 121.20 110.12 1waf s ILE 625 Ca 0.09 -1.89 -0.01 0.00 -0.26 0.00 0.00 60.65 58.58 1waf s ILE 625 Cb 0.07 -1.78 0.03 0.00 1.25 0.00 0.00 42.46 42.03 1waf s ILE 625 CO -0.08 -0.76 -0.04 -0.31 0.24 0.00 0.00 174.94 173.98 1waf s TYR 626 N -3.84 1.23 -0.10 1.37 1.51 0.57 -2.93 117.35 115.17 1waf s TYR 626 Ca 0.15 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1waf s TYR 626 Cb 0.07 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 1waf s TYR 626 CO -0.04 -0.47 -0.15 0.08 -1.11 0.00 0.00 175.55 173.85 1waf s VAL 627 N 1.79 2.88 -0.69 0.71 1.01 -0.70 0.43 120.40 125.84 1waf s VAL 627 Ca 0.04 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1waf s VAL 627 Cb -0.13 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.12 1waf s VAL 627 CO -0.07 0.55 1.22 -0.55 0.00 0.00 0.00 175.10 176.24 1waf s SER 628 N 0.01 6.24 0.48 3.32 0.15 -1.15 -0.84 113.70 121.91 1waf s SER 628 Ca -0.05 -0.36 0.24 0.00 0.70 0.00 0.00 55.95 56.48 1waf s SER 628 Cb -0.14 -2.54 1.23 0.00 -1.71 0.00 0.00 66.02 62.86 1waf s SER 628 CO 0.04 -1.70 1.99 0.00 1.20 0.00 0.00 173.24 174.78 1waf h ALA 629 N 9.84 1.25 -0.01 5.45 0.00 -1.38 -3.36 119.26 131.06 1waf h ALA 629 Ca -0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1waf h ALA 629 Cb 1.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1waf h ALA 629 CO 1.24 0.22 0.00 -0.25 0.00 0.00 0.00 179.25 180.46 1waf n ASP 630 N -3.67 0.00 0.10 0.00 9.92 -1.20 0.11 116.55 121.81 1waf n ASP 630 Ca -0.01 0.07 0.01 0.00 -0.53 0.00 0.00 54.79 54.32 1waf n ASP 630 Cb 0.30 -0.03 0.34 0.00 -0.64 0.00 0.00 41.12 41.09 1waf n ASP 630 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1waf h LYS 631 N 0.00 0.26 -0.50 -1.24 6.56 -1.95 -2.03 116.57 117.67 1waf h LYS 631 Ca 0.00 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 1waf h LYS 631 Cb 0.00 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 1waf h LYS 631 CO 0.00 0.45 0.28 0.82 -2.06 0.00 0.00 179.45 178.93 1waf h ILE 632 N 0.24 1.17 0.19 1.86 2.04 0.47 -1.81 117.51 121.67 1waf h ILE 632 Ca 0.04 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1waf h ILE 632 Cb 0.48 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1waf h ILE 632 CO 0.03 0.18 -0.09 0.40 0.00 0.00 0.00 178.15 178.67 1waf h ILE 633 N 0.67 0.81 -0.93 -0.67 1.08 -0.70 -2.75 117.51 115.02 1waf h ILE 633 Ca 0.18 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.80 1waf h ILE 633 Cb 0.04 0.81 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 1waf h ILE 633 CO -0.03 0.00 0.59 0.44 -0.69 0.00 0.00 178.15 178.46 1waf h ASP 634 N -0.25 0.69 -0.76 1.72 5.19 -1.17 -0.16 116.42 121.68 1waf h ASP 634 Ca -0.03 0.05 0.18 0.00 -0.62 0.00 0.00 57.03 56.61 1waf h ASP 634 Cb 0.19 -0.09 -0.13 0.00 0.18 0.00 0.00 39.33 39.49 1waf h ASP 634 CO 0.04 0.33 0.06 0.50 -3.12 0.00 0.00 179.24 177.05 1waf h LYS 635 N 0.72 0.13 -0.06 3.56 1.63 -1.02 0.24 116.57 121.78 1waf h LYS 635 Ca 0.48 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1waf h LYS 635 Cb 0.75 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1waf h LYS 635 CO -0.24 0.09 0.00 0.28 -3.45 0.00 0.00 179.45 176.13 1waf n VAL 636 N -5.31 0.06 -1.61 2.00 0.31 -0.21 -5.07 118.33 108.51 1waf n VAL 636 Ca 0.14 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1waf n VAL 636 Cb 0.49 0.80 0.00 0.00 -0.91 0.00 0.00 33.84 34.22 1waf n VAL 636 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1waf n GLY 637 N 1.24 -4.71 0.25 2.92 0.00 0.84 -4.58 105.19 101.15 1waf n GLY 637 Ca 0.17 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.64 1waf n GLY 637 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1waf h GLU 638 N 1.99 0.00 -0.26 1.61 5.08 -1.85 -3.23 114.58 117.93 1waf h GLU 638 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1waf h GLU 638 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1waf h GLU 638 CO 0.00 0.12 -0.35 0.66 -1.00 0.00 0.00 179.01 178.44 1waf h SER 639 N 0.00 -1.12 -1.00 1.42 4.64 -1.98 -2.99 113.55 112.52 1waf h SER 639 Ca -0.00 0.17 0.19 0.00 -0.47 0.00 0.00 61.79 61.69 1waf h SER 639 Cb 0.23 0.49 -0.11 0.00 -0.31 0.00 0.00 62.40 62.71 1waf h SER 639 CO 0.02 -0.36 0.61 0.11 -0.87 0.00 0.00 176.83 176.34 1waf h LYS 640 N -0.35 0.73 -6.27 4.77 6.56 -1.80 -3.41 116.57 116.80 1waf h LYS 640 Ca 0.13 -0.04 -0.57 0.00 -1.06 0.00 0.00 60.65 59.10 1waf h LYS 640 Cb 0.56 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 32.03 1waf h LYS 640 CO -0.45 0.49 1.17 -0.06 -2.06 0.00 0.00 179.45 178.54 1waf s PHE 641 N -5.85 1.98 -0.95 -1.35 0.40 -1.13 -4.92 117.98 106.15 1waf s PHE 641 Ca -0.11 0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 56.71 1waf s PHE 641 Cb 0.25 -4.02 0.28 0.00 0.51 0.00 0.00 43.02 40.04 1waf s PHE 641 CO 0.80 -3.10 1.16 0.54 0.70 0.00 0.00 175.22 175.32 1waf n ARG 642 N 7.84 3.64 0.00 0.44 1.74 -1.26 -4.85 116.66 124.20 1waf n ARG 642 Ca 0.20 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.71 1waf n ARG 642 Cb 0.45 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1waf n ARG 642 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1waf n ASP 643 N 1.46 0.00 -0.23 0.55 -0.08 -1.26 -4.62 116.55 112.37 1waf n ASP 643 Ca 0.26 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.50 1waf n ASP 643 Cb 0.36 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.89 1waf n ASP 643 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1waf h THR 644 N 0.00 1.10 -0.61 5.18 1.03 -1.89 -0.15 112.91 117.57 1waf h THR 644 Ca 0.00 -0.28 0.05 0.00 -0.01 0.00 0.00 66.41 66.17 1waf h THR 644 Cb 0.00 0.20 -0.04 0.00 -1.07 0.00 0.00 68.15 67.25 1waf h THR 644 CO 0.00 0.15 0.40 -1.13 -0.01 0.00 0.00 175.52 174.94 1waf h ASN 645 N 0.83 0.56 -0.12 0.00 -1.24 -1.92 -2.64 115.58 111.05 1waf h ASN 645 Ca 0.26 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.28 1waf h ASN 645 Cb -0.00 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.90 1waf h ASN 645 CO -0.10 0.38 -0.13 -0.74 -1.29 0.00 0.00 177.43 175.55 1waf h HIS 646 N 0.65 -0.41 -0.93 0.67 2.76 -1.27 -2.22 115.15 114.39 1waf h HIS 646 Ca 0.26 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.48 1waf h HIS 646 Cb 0.20 0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.29 1waf h HIS 646 CO -0.00 -0.11 0.61 0.11 -1.30 0.00 0.00 177.93 177.24 1waf h TRP 647 N -0.08 1.13 -0.81 5.26 0.09 -1.51 -2.82 115.95 117.22 1waf h TRP 647 Ca 0.02 0.03 0.18 0.00 0.09 0.00 0.00 58.89 59.21 1waf h TRP 647 Cb 0.13 -0.38 -0.15 0.00 0.08 0.00 0.00 29.16 28.84 1waf h TRP 647 CO -0.69 0.65 -0.11 0.28 0.09 0.00 0.00 178.44 178.66 1waf h VAL 648 N 1.17 0.22 -0.98 0.12 2.07 -1.20 1.26 116.25 118.91 1waf h VAL 648 Ca 0.37 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.94 1waf h VAL 648 Cb 0.02 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 1waf h VAL 648 CO -0.11 0.01 0.64 0.44 0.02 0.00 0.00 177.57 178.56 1waf h ASP 649 N 0.03 1.03 0.08 0.57 3.32 -1.40 -2.72 116.42 117.32 1waf h ASP 649 Ca 0.42 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.48 1waf h ASP 649 Cb 0.70 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1waf h ASP 649 CO -0.79 0.67 -0.38 0.15 -1.72 0.00 0.00 179.24 177.17 1waf h PHE 650 N 1.17 -1.11 -0.57 4.55 3.57 0.15 -0.75 116.94 123.96 1waf h PHE 650 Ca 0.41 0.03 0.11 0.00 3.53 0.00 0.00 57.97 62.05 1waf h PHE 650 Cb 0.11 0.47 -0.09 0.00 2.79 0.00 0.00 35.95 39.24 1waf h PHE 650 CO -0.00 -0.43 0.06 -0.07 -2.23 0.00 0.00 178.31 175.64 1waf h LEU 651 N -0.54 -0.13 -0.31 0.59 3.38 -1.18 -1.29 115.31 115.83 1waf h LEU 651 Ca -0.00 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1waf h LEU 651 Cb 0.54 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 1waf h LEU 651 CO -0.21 -0.05 -0.39 -0.78 0.09 0.00 0.00 178.44 177.10 1waf h ASP 652 N 0.18 -1.28 -0.10 -0.43 3.58 -1.06 0.44 116.42 117.75 1waf h ASP 652 Ca 0.30 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.92 1waf h ASP 652 Cb 0.46 0.56 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 1waf h ASP 652 CO -0.44 -0.37 0.01 0.11 -2.88 0.00 0.00 179.24 175.67 1waf h LYS 653 N -0.36 0.26 0.41 0.28 1.79 -0.55 0.47 116.57 118.87 1waf h LYS 653 Ca 0.13 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.54 1waf h LYS 653 Cb 0.58 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1waf h LYS 653 CO -0.50 0.27 -0.20 0.35 -1.08 0.00 0.00 179.45 178.29 1waf h PHE 654 N 0.26 -0.51 0.14 -1.35 3.04 0.26 0.14 116.94 118.92 1waf h PHE 654 Ca 0.06 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.02 1waf h PHE 654 Cb 0.16 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.80 1waf h PHE 654 CO 0.00 -0.21 -0.44 0.00 -2.02 0.00 0.00 178.31 175.64 1waf h ALA 655 N -0.30 -0.80 0.00 2.41 0.00 0.24 0.74 119.26 121.56 1waf h ALA 655 Ca -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1waf h ALA 655 Cb 0.53 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1waf h ALA 655 CO 0.09 -1.01 -0.05 -0.09 0.00 0.00 0.00 179.25 178.19 1waf h ARG 656 N -0.69 0.00 0.00 0.00 2.43 -0.92 0.40 114.38 115.59 1waf h ARG 656 Ca 0.01 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 1waf h ARG 656 Cb 0.70 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1waf h ARG 656 CO -0.24 0.05 -1.57 0.39 -1.51 0.00 0.00 179.97 177.09 1waf n GLU 657 N -3.62 0.88 -0.10 0.20 1.02 0.48 -4.66 120.64 114.83 1waf n GLU 657 Ca -0.02 0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 1waf n GLU 657 Cb 0.15 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.29 1waf n GLU 657 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1waf n ARG 658 N -2.67 0.53 0.00 3.49 1.74 0.25 -4.56 116.66 115.44 1waf n ARG 658 Ca -0.17 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1waf n ARG 658 Cb 0.71 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1waf n ARG 658 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1waf n MET 659 N -4.46 0.00 -0.11 5.56 1.56 -0.54 -3.01 117.12 116.13 1waf n MET 659 Ca -0.27 0.02 0.01 0.00 -0.27 0.00 0.00 57.70 57.19 1waf n MET 659 Cb 0.58 -0.70 0.03 0.00 2.15 0.00 0.00 33.22 35.27 1waf n MET 659 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1waf n GLU 660 N -0.22 -0.05 0.02 2.12 -0.58 0.14 0.10 120.64 122.17 1waf n GLU 660 Ca 0.00 0.45 -0.10 0.00 -0.42 0.00 0.00 57.16 57.09 1waf n GLU 660 Cb 0.00 -0.66 -0.04 0.00 -0.57 0.00 0.00 31.44 30.17 1waf n GLU 660 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1waf h PRO 661 N 0.00 -0.23 -0.99 3.49 0.11 -1.80 -2.17 132.00 130.41 1waf h PRO 661 Ca 0.12 0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.30 1waf h PRO 661 Cb 0.19 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.29 1waf h PRO 661 CO -0.29 -0.15 0.64 0.00 -0.21 0.00 0.00 178.00 177.99 1waf h ALA 662 N 0.75 1.40 0.23 -0.75 0.00 0.77 -2.23 119.26 119.43 1waf h ALA 662 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1waf h ALA 662 Cb 0.35 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1waf h ALA 662 CO -0.21 0.48 -0.12 0.82 0.00 0.00 0.00 179.25 180.21 1waf h ILE 663 N 1.19 0.00 -0.64 0.00 5.03 -0.78 0.50 117.51 122.82 1waf h ILE 663 Ca 0.41 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 65.26 1waf h ILE 663 Cb 0.11 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.78 1waf h ILE 663 CO -0.15 0.00 -0.33 -0.78 -0.68 0.00 0.00 178.15 176.21 1waf h ASP 664 N -0.32 -1.17 -0.78 1.72 1.82 -1.49 0.80 116.42 117.01 1waf h ASP 664 Ca -0.03 0.24 0.18 0.00 -0.39 0.00 0.00 57.03 57.02 1waf h ASP 664 Cb 0.25 0.59 -0.11 0.00 0.68 0.00 0.00 39.33 40.73 1waf h ASP 664 CO 0.05 -0.30 0.22 0.03 -1.61 0.00 0.00 179.24 177.63 1waf h ARG 665 N -0.14 0.29 0.00 0.28 3.08 -1.35 0.28 114.38 116.82 1waf h ARG 665 Ca 0.25 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.22 1waf h ARG 665 Cb 0.55 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1waf h ARG 665 CO -0.71 0.19 -0.30 0.78 -1.07 0.00 0.00 179.97 178.86 1waf h GLY 666 N 0.30 0.00 1.87 0.04 0.00 0.50 -2.97 103.07 102.80 1waf h GLY 666 Ca 0.45 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.56 1waf h GLY 666 CO -0.52 0.00 -1.09 0.74 0.00 0.00 0.00 176.54 175.67 1waf h PHE 667 N 0.00 0.02 -0.53 5.60 0.04 0.22 -3.23 116.94 119.06 1waf h PHE 667 Ca -0.00 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.77 1waf h PHE 667 Cb 0.98 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.09 1waf h PHE 667 CO 0.00 1.01 0.33 0.00 -0.60 0.00 0.00 178.31 179.05 1waf h ARG 668 N 0.00 0.64 -0.76 1.51 3.08 -0.40 -0.13 114.38 118.32 1waf h ARG 668 Ca -0.05 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.07 1waf h ARG 668 Cb 1.81 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.64 1waf h ARG 668 CO 0.13 0.42 0.38 1.49 -1.07 0.00 0.00 179.97 181.32 1waf h GLU 669 N 0.66 0.61 0.56 0.04 4.81 -1.56 0.35 114.58 120.04 1waf h GLU 669 Ca 0.21 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1waf h GLU 669 Cb -0.01 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.24 1waf h GLU 669 CO -0.08 0.40 -0.27 1.98 -0.73 0.00 0.00 179.01 180.31 1waf h MET 670 N 0.62 -0.72 -1.09 1.92 4.05 -1.38 -0.41 114.93 117.93 1waf h MET 670 Ca 0.38 0.05 0.31 0.00 -0.28 0.00 0.00 59.70 60.16 1waf h MET 670 Cb 0.43 0.16 -0.12 0.00 -0.80 0.00 0.00 31.60 31.28 1waf h MET 670 CO -0.29 -0.41 0.67 0.00 0.23 0.00 0.00 176.91 177.11 1waf h GLU 672 N 0.34 -0.60 -1.01 0.00 4.57 0.04 -1.57 114.58 116.36 1waf h GLU 672 Ca 0.69 0.04 0.23 0.00 -1.18 0.00 0.00 59.36 59.14 1waf h GLU 672 Cb 1.74 0.14 -0.11 0.00 -0.16 0.00 0.00 28.75 30.36 1waf h GLU 672 CO -0.43 -0.39 0.62 -0.92 -1.18 0.00 0.00 179.01 176.71 1waf h TYR 673 N -0.63 0.90 -0.00 0.92 3.20 0.17 -1.40 116.97 120.12 1waf h TYR 673 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1waf h TYR 673 Cb 0.48 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1waf h TYR 673 CO -0.04 0.12 -0.34 -1.33 -1.64 0.00 0.00 178.16 174.93 1waf n MET 674 N -4.75 0.43 -3.55 1.82 2.81 -0.73 -4.66 117.12 108.49 1waf n MET 674 Ca 0.25 -0.24 -0.22 0.00 -1.81 0.00 0.00 57.70 55.68 1waf n MET 674 Cb 0.73 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.79 1waf n MET 674 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1waf n ASN 675 N -1.08 -4.12 -4.89 7.83 5.15 -0.53 -1.88 115.26 115.74 1waf n ASN 675 Ca 0.09 -0.84 -0.29 0.00 -0.60 0.00 0.00 54.58 52.94 1waf n ASN 675 Cb 0.34 -4.25 -0.03 0.00 -0.53 0.00 0.00 39.78 35.31 1waf n ASN 675 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1waf s ASN 676 N -3.80 6.47 0.19 1.20 0.01 -0.96 -3.18 114.94 114.88 1waf s ASN 676 Ca 0.28 0.90 -0.15 0.00 -0.71 0.00 0.00 52.86 53.19 1waf s ASN 676 Cb -0.07 -2.22 0.17 0.00 0.41 0.00 0.00 41.25 39.54 1waf s ASN 676 CO 0.80 -0.30 1.65 0.50 -1.51 0.00 0.00 177.10 178.24 1waf h LYS 677 N 1.42 0.01 0.00 -0.60 3.64 -1.70 -3.46 116.57 115.88 1waf h LYS 677 Ca -0.47 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.81 1waf h LYS 677 Cb 1.19 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1waf h LYS 677 CO 0.65 0.01 -0.04 0.00 -2.27 0.00 0.00 179.45 177.79 1waf n GLN 678 N -5.36 0.29 0.00 1.90 10.64 -1.24 -5.11 117.38 118.50 1waf n GLN 678 Ca 0.05 -1.06 0.12 0.00 -1.83 0.00 0.00 57.00 54.28 1waf n GLN 678 Cb 0.28 1.05 0.26 0.00 -0.86 0.00 0.00 30.24 30.97 1waf n GLN 678 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1waf n HIS 679 N -0.22 0.00 0.00 2.61 -0.00 -1.26 -4.82 115.22 111.52 1waf n HIS 679 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1waf n HIS 679 Cb 0.23 -0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.08 1waf n HIS 679 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1waf n LEU 680 N -0.88 0.00 -4.31 0.27 4.77 -1.26 -4.65 117.00 110.94 1waf n LEU 680 Ca 0.09 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.62 1waf n LEU 680 Cb 0.36 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1waf n LEU 680 CO 0.30 0.00 0.52 -0.04 -1.33 0.00 0.00 177.39 176.84 1waf s MET 681 N 0.00 3.72 -0.30 3.23 -1.94 -1.26 -4.83 119.30 117.92 1waf s MET 681 Ca 0.00 -2.77 -0.03 0.00 -1.71 0.00 0.00 55.69 51.18 1waf s MET 681 Cb 0.00 -4.40 0.04 0.00 2.01 0.00 0.00 34.83 32.48 1waf s MET 681 CO 0.00 -1.26 0.01 -0.06 -0.01 0.00 0.00 175.02 173.70 1waf s PHE 682 N -0.42 3.22 -0.12 -0.03 0.08 -1.26 -4.85 117.98 114.59 1waf s PHE 682 Ca 0.23 -1.69 0.01 0.00 0.12 0.00 0.00 56.93 55.60 1waf s PHE 682 Cb -0.11 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 1waf s PHE 682 CO -0.08 -0.77 -0.16 1.41 -0.10 0.00 0.00 175.22 175.52 1waf s MET 683 N 1.30 2.35 0.09 0.44 -2.45 -1.26 -1.70 119.30 118.08 1waf s MET 683 Ca -0.03 -0.60 0.09 0.00 -1.25 0.00 0.00 55.69 53.90 1waf s MET 683 Cb -0.19 -2.02 -0.03 0.00 1.25 0.00 0.00 34.83 33.83 1waf s MET 683 CO -0.01 -0.10 -0.23 0.16 1.05 0.00 0.00 175.02 175.89 1waf s ASP 684 N 1.09 2.83 0.47 1.11 1.47 -1.11 -4.82 116.67 117.72 1waf s ASP 684 Ca -0.04 -0.67 -0.22 0.00 1.18 0.00 0.00 52.55 52.80 1waf s ASP 684 Cb -0.14 -0.19 -0.10 0.00 -0.34 0.00 0.00 42.92 42.15 1waf s ASP 684 CO -0.04 0.13 0.82 -1.14 0.68 0.00 0.00 175.17 175.63 1waf n ARG 685 N 1.23 0.98 0.00 2.11 0.63 -1.26 -1.46 116.66 118.89 1waf n ARG 685 Ca -0.18 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1waf n ARG 685 Cb 0.53 -1.88 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1waf n ARG 685 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1waf n GLU 686 N 0.06 5.45 -3.69 -0.14 0.28 0.81 -4.79 120.64 118.62 1waf n GLU 686 Ca 0.11 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.96 1waf n GLU 686 Cb 0.41 -0.50 -0.08 0.00 1.43 0.00 0.00 31.44 32.70 1waf n GLU 686 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1waf s ALA 687 N -0.10 -1.12 -0.04 -1.84 0.00 -1.23 -1.33 121.76 116.10 1waf s ALA 687 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1waf s ALA 687 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1waf s ALA 687 CO 0.00 -0.28 -0.07 0.42 0.00 0.00 0.00 175.76 175.83 1waf s ILE 688 N -0.85 0.71 -0.01 0.00 1.01 -1.02 -1.84 121.20 119.20 1waf s ILE 688 Ca -0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1waf s ILE 688 Cb -0.03 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.78 1waf s ILE 688 CO 0.05 0.25 0.21 0.00 0.00 0.00 0.00 174.94 175.44 1waf s ALA 689 N 0.56 -0.51 0.00 9.38 0.00 -0.64 -0.94 121.76 129.61 1waf s ALA 689 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1waf s ALA 689 Cb -0.12 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.09 1waf s ALA 689 CO 0.01 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1waf n GLY 690 N 1.41 0.54 3.70 0.00 0.00 0.60 -2.33 105.19 109.12 1waf n GLY 690 Ca -0.22 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 1waf n GLY 690 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1waf s PRO 691 N -2.00 4.28 0.00 1.61 0.04 -1.26 -4.68 135.00 132.99 1waf s PRO 691 Ca 0.00 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1waf s PRO 691 Cb 0.00 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1waf s PRO 691 CO 0.00 -0.54 0.16 -2.30 0.04 0.00 0.00 177.00 174.36 1waf n PRO 692 N 4.61 0.00 -0.73 0.56 -0.02 -1.26 -4.75 135.00 133.42 1waf n PRO 692 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1waf n PRO 692 Cb 0.42 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1waf n PRO 692 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1waf n LEU 693 N -0.60 -1.66 0.00 2.45 0.00 -1.26 -4.02 117.00 111.91 1waf n LEU 693 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1waf n LEU 693 Cb 0.16 -0.83 0.00 0.00 0.00 0.00 0.00 43.42 42.75 1waf n LEU 693 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 1waf n GLY 694 N 0.51 2.81 3.73 -3.96 0.00 -1.26 -4.88 105.19 102.14 1waf n GLY 694 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1waf n GLY 694 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1waf s SER 695 N 0.31 6.97 -0.03 1.61 1.04 -1.26 -4.92 113.70 117.41 1waf s SER 695 Ca 0.00 2.30 0.01 0.00 0.48 0.00 0.00 55.95 58.75 1waf s SER 695 Cb 0.00 -2.60 0.09 0.00 0.10 0.00 0.00 66.02 63.61 1waf s SER 695 CO 0.00 -0.48 0.75 0.29 0.98 0.00 0.00 173.24 174.78 1waf n LYS 696 N 2.82 1.40 -2.66 4.02 5.02 -1.11 -4.75 118.16 122.89 1waf n LYS 696 Ca 0.06 -0.37 -0.32 0.00 -2.02 0.00 0.00 58.31 55.66 1waf n LYS 696 Cb 0.44 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1waf n LYS 696 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1waf s GLY 697 N 0.09 2.14 0.00 0.72 0.00 -1.15 -3.29 107.32 105.83 1waf s GLY 697 Ca 0.07 0.14 0.27 0.00 0.00 0.00 0.00 44.72 45.19 1waf s GLY 697 CO 0.02 0.39 1.59 0.29 0.00 0.00 0.00 173.10 175.39 1waf n ILE 698 N -1.19 0.00 0.00 0.90 -0.00 -0.65 -4.44 119.36 113.98 1waf n ILE 698 Ca 0.05 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 1waf n ILE 698 Cb 0.54 0.75 0.00 0.00 -0.00 0.00 0.00 39.64 40.93 1waf n ILE 698 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1waf n GLY 699 N 1.24 1.36 0.00 3.28 0.00 -0.64 -2.85 105.19 107.58 1waf n GLY 699 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1waf n GLY 699 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1waf n GLY 700 N 0.00 2.08 3.31 -0.02 0.00 -1.24 -0.11 105.19 109.21 1waf n GLY 700 Ca 0.00 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1waf n GLY 700 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1waf s PHE 701 N -2.00 -0.21 0.17 1.61 -0.71 -0.52 -0.00 117.98 116.31 1waf s PHE 701 Ca 0.00 0.04 0.10 0.00 -1.04 0.00 0.00 56.93 56.03 1waf s PHE 701 Cb 0.00 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 1waf s PHE 701 CO 0.00 -0.62 -0.21 -1.58 -1.34 0.00 0.00 175.22 171.47 1waf s TRP 702 N -3.07 2.01 0.00 3.49 0.52 -0.80 -2.10 118.94 119.00 1waf s TRP 702 Ca -0.02 -0.42 0.00 0.00 0.02 0.00 0.00 56.10 55.69 1waf s TRP 702 Cb 0.01 -1.01 0.00 0.00 -1.15 0.00 0.00 33.47 31.31 1waf s TRP 702 CO -0.07 0.38 0.00 2.41 0.02 0.00 0.00 176.95 179.70 1waf n THR 703 N 0.38 0.00 -0.31 2.01 -1.04 0.17 -3.22 114.28 112.27 1waf n THR 703 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1waf n THR 703 Cb 0.56 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 1waf n THR 703 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1waf n GLY 704 N 2.72 -2.47 3.62 3.41 0.00 -1.08 -4.86 105.19 106.51 1waf n GLY 704 Ca 0.00 -1.25 -0.48 0.00 0.00 0.00 0.00 46.02 44.29 1waf n GLY 704 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1waf n LYS 705 N -0.73 1.52 -0.76 1.61 4.01 -1.26 -0.75 118.16 121.80 1waf n LYS 705 Ca 0.00 0.54 0.00 0.00 -0.51 0.00 0.00 58.31 58.34 1waf n LYS 705 Cb 0.00 -2.14 0.00 0.00 -0.51 0.00 0.00 35.03 32.38 1waf n LYS 705 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1waf n LYS 706 N 2.15 -1.67 -3.77 1.97 5.02 -1.26 -4.84 118.16 115.76 1waf n LYS 706 Ca 0.15 0.35 -0.32 0.00 -2.02 0.00 0.00 58.31 56.46 1waf n LYS 706 Cb 0.26 -4.47 -0.09 0.00 -0.02 0.00 0.00 35.03 30.70 1waf n LYS 706 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1waf s ARG 707 N -1.53 2.82 0.17 1.97 3.52 0.08 -3.75 118.95 122.23 1waf s ARG 707 Ca 0.00 -3.23 -0.09 0.00 -0.13 0.00 0.00 55.73 52.28 1waf s ARG 707 Cb 0.00 -3.68 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 1waf s ARG 707 CO 0.00 -1.26 0.30 1.52 -0.81 0.00 0.00 175.30 175.04 1waf s TYR 708 N -1.27 0.41 -0.12 5.12 -0.85 -0.35 0.45 117.35 120.74 1waf s TYR 708 Ca 0.25 -0.77 -0.17 0.00 -0.52 0.00 0.00 57.07 55.87 1waf s TYR 708 Cb -0.08 -0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.26 1waf s TYR 708 CO -0.13 -0.74 0.44 0.00 -1.52 0.00 0.00 175.55 173.61 1waf s ALA 709 N -3.97 -1.11 0.07 9.51 0.00 -0.89 0.56 121.76 125.93 1waf s ALA 709 Ca 0.18 1.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.94 1waf s ALA 709 Cb 0.03 -0.48 0.08 0.00 0.00 0.00 0.00 23.12 22.75 1waf s ALA 709 CO 0.01 -0.24 0.71 -0.48 0.00 0.00 0.00 175.76 175.76 1waf s LEU 710 N -0.26 -0.51 -0.99 0.00 0.05 -0.50 -1.44 118.68 115.03 1waf s LEU 710 Ca -0.04 0.09 -0.20 0.00 0.05 0.00 0.00 54.13 54.03 1waf s LEU 710 Cb -0.03 2.39 0.10 0.00 -2.05 0.00 0.00 46.19 46.60 1waf s LEU 710 CO 0.02 -0.80 1.27 0.21 -0.55 0.00 0.00 176.35 176.51 1waf s ASN 711 N -2.44 6.61 0.17 1.48 2.47 0.84 -1.80 114.94 122.27 1waf s ASN 711 Ca 0.01 -1.90 -0.28 0.00 0.42 0.00 0.00 52.86 51.11 1waf s ASN 711 Cb -0.01 -2.46 -0.08 0.00 -1.45 0.00 0.00 41.25 37.25 1waf s ASN 711 CO -0.09 -1.20 0.86 -0.69 -3.72 0.00 0.00 177.10 172.26 1waf s VAL 712 N 3.46 4.33 -0.07 -5.21 1.01 -1.03 -0.29 120.40 122.60 1waf s VAL 712 Ca 0.38 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 64.24 1waf s VAL 712 Cb -0.03 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1waf s VAL 712 CO -0.09 0.46 -0.07 0.79 0.00 0.00 0.00 175.10 176.19 1waf n TRP 713 N 1.91 0.00 -4.71 5.22 5.03 -0.12 -2.51 117.44 122.27 1waf n TRP 713 Ca -0.03 0.00 -0.25 0.00 3.03 0.00 0.00 57.50 60.25 1waf n TRP 713 Cb 0.48 -0.26 -0.16 0.00 -1.03 0.00 0.00 31.31 30.34 1waf n TRP 713 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 1waf s ASP 714 N -5.03 1.94 -0.79 -0.99 -1.08 -1.24 0.29 116.67 109.77 1waf s ASP 714 Ca -0.10 -0.32 0.02 0.00 -0.52 0.00 0.00 52.55 51.63 1waf s ASP 714 Cb 0.03 -0.70 0.22 0.00 -1.46 0.00 0.00 42.92 41.01 1waf s ASP 714 CO 0.15 0.10 0.77 0.80 0.52 0.00 0.00 175.17 177.50 1waf n MET 715 N 3.45 2.59 -2.42 4.34 0.00 -0.07 -2.44 117.12 122.57 1waf n MET 715 Ca -0.20 -4.55 -0.04 0.00 -0.00 0.00 0.00 57.70 52.91 1waf n MET 715 Cb 0.53 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.41 1waf n MET 715 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1waf n GLU 716 N 1.67 -1.33 0.00 2.12 2.13 -0.44 -3.60 120.64 121.18 1waf n GLU 716 Ca 0.24 1.43 0.00 0.00 0.66 0.00 0.00 57.16 59.49 1waf n GLU 716 Cb 0.37 -4.23 0.00 0.00 0.27 0.00 0.00 31.44 27.85 1waf n GLU 716 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1waf n GLY 717 N -0.72 0.99 3.54 8.31 0.00 -1.26 -4.86 105.19 111.18 1waf n GLY 717 Ca 0.05 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1waf n GLY 717 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1waf n THR 718 N 0.00 -0.07 -1.45 2.61 -2.24 -1.24 -4.90 114.28 106.99 1waf n THR 718 Ca 0.00 -0.69 -0.32 0.00 -2.27 0.00 0.00 64.05 60.77 1waf n THR 718 Cb 0.00 -2.49 0.07 0.00 -2.10 0.00 0.00 70.33 65.81 1waf n THR 718 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1waf s ARG 719 N 8.35 2.46 -0.06 -0.78 6.06 -1.26 -0.89 118.95 132.83 1waf s ARG 719 Ca 1.03 1.25 0.02 0.00 -2.50 0.00 0.00 55.73 55.53 1waf s ARG 719 Cb -0.32 -1.92 -0.03 0.00 0.06 0.00 0.00 34.95 32.74 1waf s ARG 719 CO 0.29 -1.49 -0.09 0.71 -2.50 0.00 0.00 175.30 172.22 1waf s TYR 720 N -2.69 2.88 0.00 5.12 2.02 0.15 -4.91 117.35 119.92 1waf s TYR 720 Ca 0.63 -0.02 0.00 0.00 -0.37 0.00 0.00 57.07 57.31 1waf s TYR 720 Cb -0.18 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1waf s TYR 720 CO 0.50 0.30 0.49 0.00 -1.57 0.00 0.00 175.55 175.27 1waf n ALA 721 N 2.18 0.00 -2.51 3.71 0.00 -1.26 -4.70 120.51 117.93 1waf n ALA 721 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.02 1waf n ALA 721 Cb 0.53 0.09 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 1waf n ALA 721 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1waf s GLU 722 N -0.97 2.15 1.10 0.00 4.04 -1.26 -5.11 118.70 118.64 1waf s GLU 722 Ca 0.00 -1.80 -0.13 0.00 0.04 0.00 0.00 54.97 53.08 1waf s GLU 722 Cb 0.00 -1.94 0.22 0.00 0.02 0.00 0.00 34.13 32.43 1waf s GLU 722 CO 0.00 0.02 0.89 -2.30 -1.84 0.00 0.00 175.26 172.03 1waf n PRO 723 N -1.08 -1.75 -3.68 -4.83 -0.02 -1.26 -5.01 135.00 117.37 1waf n PRO 723 Ca -0.03 -0.47 -0.18 0.00 -2.02 0.00 0.00 63.50 60.80 1waf n PRO 723 Cb 0.63 -2.14 -0.17 0.00 -0.02 0.00 0.00 33.50 31.80 1waf n PRO 723 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1waf s LYS 724 N -4.29 -0.02 -0.09 -0.52 1.02 -1.04 -5.01 119.74 109.78 1waf s LYS 724 Ca 0.66 0.45 -0.30 0.00 0.02 0.00 0.00 55.97 56.80 1waf s LYS 724 Cb -0.23 -0.38 -0.02 0.00 -0.52 0.00 0.00 37.83 36.68 1waf s LYS 724 CO 0.64 -0.30 1.14 -0.51 -0.92 0.00 0.00 175.35 175.39 1waf s LEU 725 N 2.10 4.25 -0.46 3.17 1.43 -1.26 -2.48 118.68 125.44 1waf s LEU 725 Ca 0.03 1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 1waf s LEU 725 Cb -0.12 -3.56 0.10 0.00 0.03 0.00 0.00 46.19 42.64 1waf s LEU 725 CO -0.04 -0.56 0.34 -0.75 0.23 0.00 0.00 176.35 175.56 1waf s LYS 726 N 2.30 2.66 0.11 1.70 2.20 -0.75 -4.98 119.74 122.98 1waf s LYS 726 Ca 0.53 -1.58 -0.06 0.00 -0.36 0.00 0.00 55.97 54.50 1waf s LYS 726 Cb -0.22 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 1waf s LYS 726 CO 0.19 -1.09 0.36 0.42 -0.36 0.00 0.00 175.35 174.87 1waf s ILE 727 N 1.45 5.18 -0.24 5.43 1.09 -1.26 -1.41 121.20 131.43 1waf s ILE 727 Ca 0.04 0.13 -0.03 0.00 -1.10 0.00 0.00 60.65 59.69 1waf s ILE 727 Cb -0.25 -3.62 0.10 0.00 -1.06 0.00 0.00 42.46 37.63 1waf s ILE 727 CO 0.02 0.14 0.21 -0.04 -0.10 0.00 0.00 174.94 175.17 1waf s MET 728 N -2.37 0.22 -1.48 2.79 -1.94 0.19 -4.89 119.30 111.83 1waf s MET 728 Ca 0.37 -0.08 0.00 0.00 -1.71 0.00 0.00 55.69 54.27 1waf s MET 728 Cb -0.13 -1.10 0.00 0.00 2.01 0.00 0.00 34.83 35.61 1waf s MET 728 CO 0.22 -0.84 0.00 0.41 -0.01 0.00 0.00 175.02 174.80 1waf n GLY 729 N 5.30 1.04 2.10 -0.03 0.00 -1.25 -1.21 105.19 111.14 1waf n GLY 729 Ca -0.05 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 1waf n GLY 729 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1waf n LEU 730 N -1.79 6.69 0.00 0.99 4.77 -1.26 -4.87 117.00 121.53 1waf n LEU 730 Ca -0.15 -3.60 0.00 0.00 -0.03 0.00 0.00 56.01 52.23 1waf n LEU 730 Cb 0.52 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1waf n LEU 730 CO 0.22 1.16 0.00 -1.84 -1.33 0.00 0.00 177.39 175.60 1waf n GLU 731 N -0.70 -1.02 0.18 3.23 0.00 -1.26 -4.58 120.64 116.49 1waf n GLU 731 Ca 0.51 0.15 0.03 0.00 0.00 0.00 0.00 57.16 57.84 1waf n GLU 731 Cb 1.08 -3.49 0.35 0.00 0.00 0.00 0.00 31.44 29.38 1waf n GLU 731 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1waf h THR 732 N 0.00 1.23 0.00 3.84 1.35 -1.94 -3.30 112.91 114.10 1waf h THR 732 Ca 0.00 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1waf h THR 732 Cb 0.29 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1waf h THR 732 CO 0.00 0.39 -0.30 1.56 -0.25 0.00 0.00 175.52 176.92 1waf h GLN 733 N 0.00 0.00 -1.61 4.72 7.50 -1.96 -3.46 115.11 120.30 1waf h GLN 733 Ca -0.00 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.98 1waf h GLN 733 Cb 0.73 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.23 1waf h GLN 733 CO 0.05 0.00 0.54 1.63 -1.50 0.00 0.00 178.83 179.56 1waf n LYS 734 N -4.62 0.00 -0.17 1.46 5.02 -1.24 -4.73 118.16 113.88 1waf n LYS 734 Ca -0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.24 1waf n LYS 734 Cb 0.16 -0.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.70 1waf n LYS 734 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1waf n SER 735 N 3.23 -0.31 -0.29 4.39 7.64 -1.26 -0.43 113.62 126.59 1waf n SER 735 Ca 0.21 0.75 0.13 0.00 1.01 0.00 0.00 58.87 60.96 1waf n SER 735 Cb 0.01 -0.16 0.25 0.00 -1.01 0.00 0.00 64.21 63.30 1waf n SER 735 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1waf n SER 736 N -4.61 -0.10 -4.75 6.43 3.41 -1.25 -4.52 113.62 108.23 1waf n SER 736 Ca 0.04 1.45 -0.41 0.00 -0.26 0.00 0.00 58.87 59.68 1waf n SER 736 Cb 0.16 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 1waf n SER 736 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1waf s THR 737 N -5.81 2.22 0.57 6.66 -4.23 0.43 -1.78 115.64 113.71 1waf s THR 737 Ca -0.11 0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.39 1waf s THR 737 Cb 0.25 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1waf s THR 737 CO 0.66 0.03 1.31 -2.84 -0.54 0.00 0.00 174.62 173.24 1waf s PRO 738 N -0.55 3.01 0.13 3.99 0.02 -1.25 -4.75 135.00 135.60 1waf s PRO 738 Ca 0.62 2.10 -0.25 0.00 0.02 0.00 0.00 61.00 63.49 1waf s PRO 738 Cb -0.46 -2.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 1waf s PRO 738 CO 0.47 -1.25 1.64 0.87 -0.33 0.00 0.00 177.00 178.40 1waf h LYS 739 N 1.18 -0.34 -0.77 5.54 1.57 -1.74 0.13 116.57 122.14 1waf h LYS 739 Ca -0.51 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1waf h LYS 739 Cb 1.31 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 1waf h LYS 739 CO 0.56 -0.23 0.51 0.00 -0.57 0.00 0.00 179.45 179.72 1waf h ALA 740 N 0.52 2.02 0.02 3.86 0.00 -0.52 -0.90 119.26 124.26 1waf h ALA 740 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1waf h ALA 740 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1waf h ALA 740 CO -0.26 -0.22 -0.01 0.28 0.00 0.00 0.00 179.25 179.04 1waf h VAL 741 N 0.49 1.48 -0.04 0.00 2.07 -1.47 -2.86 116.25 115.92 1waf h VAL 741 Ca 0.37 -1.64 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1waf h VAL 741 Cb 0.76 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 1waf h VAL 741 CO -0.13 0.41 -0.30 1.56 0.02 0.00 0.00 177.57 179.14 1waf h GLN 742 N -0.75 -0.33 -1.24 1.57 4.20 -0.11 0.49 115.11 118.93 1waf h GLN 742 Ca -0.00 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.09 1waf h GLN 742 Cb 0.70 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 1waf h GLN 742 CO 0.00 -0.22 1.00 -0.22 -0.67 0.00 0.00 178.83 178.72 1waf h LYS 743 N -0.35 0.00 0.04 1.46 3.64 -1.31 0.19 116.57 120.24 1waf h LYS 743 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1waf h LYS 743 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1waf h LYS 743 CO -0.22 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 176.94 1waf h ALA 744 N 1.16 -0.30 -0.86 5.00 0.00 -0.23 -3.12 119.26 120.91 1waf h ALA 744 Ca 0.59 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.57 1waf h ALA 744 Cb 2.59 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 20.28 1waf h ALA 744 CO -0.01 -0.29 -0.57 -0.07 0.00 0.00 0.00 179.25 178.31 1waf h LEU 745 N -0.15 -2.04 -0.84 0.00 3.38 0.25 1.35 115.31 117.26 1waf h LEU 745 Ca -0.01 0.31 0.27 0.00 0.09 0.00 0.00 57.88 58.54 1waf h LEU 745 Cb 0.04 0.90 -0.16 0.00 0.09 0.00 0.00 40.66 41.53 1waf h LEU 745 CO 0.01 -0.27 0.14 1.17 0.09 0.00 0.00 178.44 179.57 1waf n LYS 746 N -5.29 -0.06 -0.15 1.13 4.81 0.20 0.15 118.16 118.94 1waf n LYS 746 Ca 0.01 1.24 -0.10 0.00 -0.87 0.00 0.00 58.31 58.59 1waf n LYS 746 Cb 0.29 -2.03 -0.01 0.00 0.02 0.00 0.00 35.03 33.30 1waf n LYS 746 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1waf h GLU 747 N 0.00 0.80 -0.70 1.64 4.22 0.18 -2.82 114.58 117.90 1waf h GLU 747 Ca 0.57 -0.27 0.09 0.00 0.08 0.00 0.00 59.36 59.83 1waf h GLU 747 Cb 1.29 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 1waf h GLU 747 CO -0.76 0.87 0.35 0.00 -2.18 0.00 0.00 179.01 177.30 1waf h ILE 749 N 0.61 1.21 -0.47 0.00 2.04 -1.31 -0.37 117.51 119.22 1waf h ILE 749 Ca 0.34 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1waf h ILE 749 Cb 0.33 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 1waf h ILE 749 CO -0.25 0.23 0.21 -0.09 0.00 0.00 0.00 178.15 178.25 1waf h ARG 750 N 0.99 0.41 -0.62 2.37 2.43 -0.84 -0.20 114.38 118.92 1waf h ARG 750 Ca 0.26 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1waf h ARG 750 Cb 0.00 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1waf h ARG 750 CO -0.04 0.27 0.41 0.00 -1.51 0.00 0.00 179.97 179.09 1waf h ARG 751 N 0.42 0.80 0.75 0.20 3.08 -0.34 0.75 114.38 120.05 1waf h ARG 751 Ca 0.21 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1waf h ARG 751 Cb 0.16 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1waf h ARG 751 CO -0.18 0.53 -0.36 0.52 -1.07 0.00 0.00 179.97 179.41 1waf h MET 752 N 0.83 -0.97 -0.87 0.04 2.86 -0.69 0.63 114.93 116.77 1waf h MET 752 Ca 0.23 0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.98 1waf h MET 752 Cb -0.07 0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1waf h MET 752 CO -0.06 -0.64 0.56 -0.07 1.06 0.00 0.00 176.91 177.75 1waf h LEU 753 N -1.03 0.92 0.04 1.22 3.38 -0.95 -1.74 115.31 117.14 1waf h LEU 753 Ca -0.10 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.53 1waf h LEU 753 Cb 0.77 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1waf h LEU 753 CO 0.17 0.62 -1.86 0.00 0.09 0.00 0.00 178.44 177.46 1waf n GLN 754 N -4.55 0.64 -0.11 1.13 6.02 0.25 -1.61 117.38 119.14 1waf n GLN 754 Ca 0.11 0.38 -0.24 0.00 -0.01 0.00 0.00 57.00 57.23 1waf n GLN 754 Cb 0.10 -1.66 -0.11 0.00 1.02 0.00 0.00 30.24 29.59 1waf n GLN 754 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1waf n GLU 755 N -3.98 0.62 0.00 -1.09 1.02 0.20 -2.94 120.64 114.47 1waf n GLU 755 Ca -0.38 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1waf n GLU 755 Cb 0.86 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1waf n GLU 755 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1waf n GLY 756 N 1.64 2.83 0.30 0.62 0.00 0.06 -2.76 105.19 107.88 1waf n GLY 756 Ca -0.46 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.58 1waf n GLY 756 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1waf h GLU 757 N 0.00 0.66 0.48 1.61 4.81 -1.86 -2.46 114.58 117.82 1waf h GLU 757 Ca 0.00 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1waf h GLU 757 Cb 0.00 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1waf h GLU 757 CO 0.00 0.57 -0.40 0.93 -0.73 0.00 0.00 179.01 179.38 1waf h GLU 758 N 0.65 -0.84 -0.67 1.92 3.07 -1.94 0.58 114.58 117.34 1waf h GLU 758 Ca 0.15 0.06 0.13 0.00 -0.50 0.00 0.00 59.36 59.21 1waf h GLU 758 Cb 0.18 0.19 -0.13 0.00 -0.84 0.00 0.00 28.75 28.16 1waf h GLU 758 CO -0.01 -0.56 -0.18 1.03 -1.40 0.00 0.00 179.01 177.89 1waf h SER 759 N -0.88 -0.65 0.75 1.42 0.87 -1.84 0.07 113.55 113.29 1waf h SER 759 Ca -0.05 0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1waf h SER 759 Cb 0.75 0.43 0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1waf h SER 759 CO -0.02 -0.23 -0.36 0.25 -0.53 0.00 0.00 176.83 175.94 1waf h LEU 760 N -0.01 -0.86 -0.88 2.23 6.46 -0.94 -2.44 115.31 118.88 1waf h LEU 760 Ca 0.32 0.01 0.16 0.00 -0.12 0.00 0.00 57.88 58.26 1waf h LEU 760 Cb 0.50 0.22 -0.16 0.00 -0.73 0.00 0.00 40.66 40.49 1waf h LEU 760 CO -0.70 -0.54 -0.27 1.56 -0.62 0.00 0.00 178.44 177.87 1waf h GLN 761 N -1.15 -0.02 -0.30 1.25 4.20 0.11 0.24 115.11 119.45 1waf h GLN 761 Ca -0.10 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1waf h GLN 761 Cb 0.80 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1waf h GLN 761 CO 0.17 -0.01 0.03 1.05 -0.67 0.00 0.00 178.83 179.40 1waf h GLU 762 N -0.02 0.50 -0.87 1.46 4.11 -1.01 -2.18 114.58 116.56 1waf h GLU 762 Ca 0.39 -0.14 0.09 0.00 0.07 0.00 0.00 59.36 59.77 1waf h GLU 762 Cb 0.63 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 1waf h GLU 762 CO -0.90 0.62 0.52 -0.92 0.07 0.00 0.00 179.01 178.39 1waf h TYR 763 N 0.31 0.95 -0.73 2.06 5.03 -0.53 0.11 116.97 124.17 1waf h TYR 763 Ca 0.09 0.03 0.16 0.00 2.58 0.00 0.00 58.73 61.59 1waf h TYR 763 Cb 0.37 -0.30 -0.11 0.00 1.55 0.00 0.00 36.73 38.24 1waf h TYR 763 CO 0.03 0.41 0.18 0.35 -1.32 0.00 0.00 178.16 177.80 1waf h PHE 764 N 0.88 0.27 -0.17 -3.82 3.57 0.05 0.23 116.94 117.96 1waf h PHE 764 Ca 0.41 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.89 1waf h PHE 764 Cb 0.34 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1waf h PHE 764 CO -0.04 -0.08 -0.19 -0.22 -2.23 0.00 0.00 178.31 175.54 1waf h LYS 765 N 0.27 0.29 0.00 1.11 1.63 -0.87 -3.34 116.57 115.65 1waf h LYS 765 Ca 0.41 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1waf h LYS 765 Cb 0.70 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1waf h LYS 765 CO -0.51 0.48 0.00 0.39 -3.45 0.00 0.00 179.45 176.36 1waf n GLU 766 N -4.20 0.00 -2.04 1.90 -0.58 0.80 -2.48 120.64 114.04 1waf n GLU 766 Ca -0.01 0.06 -0.43 0.00 -0.42 0.00 0.00 57.16 56.37 1waf n GLU 766 Cb 0.33 -0.65 -0.03 0.00 -0.57 0.00 0.00 31.44 30.53 1waf n GLU 766 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1waf s PHE 767 N -0.29 1.98 0.00 -0.32 2.19 -1.07 0.01 117.98 120.47 1waf s PHE 767 Ca 0.00 0.44 0.00 0.00 0.33 0.00 0.00 56.93 57.70 1waf s PHE 767 Cb 0.00 -3.98 0.00 0.00 -1.31 0.00 0.00 43.02 37.73 1waf s PHE 767 CO 0.00 -3.28 0.00 -1.91 1.83 0.00 0.00 175.22 171.86 1waf n GLU 768 N 7.66 0.00 0.15 10.12 4.07 -1.25 -4.66 120.64 136.73 1waf n GLU 768 Ca 0.19 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.23 1waf n GLU 768 Cb 0.45 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.80 1waf n GLU 768 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1waf h LYS 769 N 0.00 -0.41 0.00 5.31 3.64 -0.10 -3.10 116.57 121.91 1waf h LYS 769 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1waf h LYS 769 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1waf h LYS 769 CO 0.00 -0.27 0.00 -0.85 -2.27 0.00 0.00 179.45 176.06 1waf n GLU 770 N -4.14 0.01 -0.16 1.90 0.28 -0.67 -2.51 120.64 115.35 1waf n GLU 770 Ca -0.05 0.39 -0.04 0.00 -0.16 0.00 0.00 57.16 57.30 1waf n GLU 770 Cb 0.17 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.59 1waf n GLU 770 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1waf h PHE 771 N 0.00 0.36 0.00 -1.84 3.57 -1.78 -2.44 116.94 114.81 1waf h PHE 771 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1waf h PHE 771 Cb 0.04 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1waf h PHE 771 CO 0.00 0.14 0.00 0.54 -2.23 0.00 0.00 178.31 176.76 1waf n ARG 772 N -4.96 0.05 -0.11 1.11 1.74 -1.04 -2.41 116.66 111.04 1waf n ARG 772 Ca 0.05 0.31 0.09 0.00 -0.77 0.00 0.00 57.85 57.53 1waf n ARG 772 Cb 0.17 -1.61 0.14 0.00 -1.02 0.00 0.00 32.46 30.15 1waf n ARG 772 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1waf n GLN 773 N -1.71 1.99 -2.62 5.56 3.00 -0.92 -4.97 117.38 117.71 1waf n GLN 773 Ca 0.03 -1.89 -0.34 0.00 -0.01 0.00 0.00 57.00 54.80 1waf n GLN 773 Cb 0.17 -1.38 -0.05 0.00 0.00 0.00 0.00 30.24 28.99 1waf n GLN 773 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1waf s LEU 774 N -1.32 3.87 0.08 1.08 1.43 -1.01 -4.96 118.68 117.85 1waf s LEU 774 Ca 0.27 1.84 -0.31 0.00 -1.03 0.00 0.00 54.13 54.91 1waf s LEU 774 Cb 0.17 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.76 1waf s LEU 774 CO 0.24 -0.65 1.37 0.21 0.23 0.00 0.00 176.35 177.75 1waf s ASN 775 N -2.08 6.86 0.24 2.29 3.84 -1.26 -4.91 114.94 119.92 1waf s ASN 775 Ca 0.65 2.24 -0.13 0.00 0.21 0.00 0.00 52.86 55.84 1waf s ASN 775 Cb -0.14 -2.58 0.33 0.00 -0.55 0.00 0.00 41.25 38.31 1waf s ASN 775 CO 0.18 -0.64 1.49 0.00 -2.79 0.00 0.00 177.10 175.34 1waf n TYR 776 N 4.27 0.17 -0.23 0.43 0.18 -1.26 -0.94 117.16 119.78 1waf n TYR 776 Ca 0.11 1.18 0.04 0.00 1.88 0.00 0.00 57.90 61.11 1waf n TYR 776 Cb 0.43 -0.95 0.16 0.00 -0.38 0.00 0.00 39.34 38.60 1waf n TYR 776 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 1waf h ILE 777 N 0.00 0.60 0.00 -3.48 2.04 -1.96 0.41 117.51 115.12 1waf h ILE 777 Ca 0.39 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.15 1waf h ILE 777 Cb 0.63 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1waf h ILE 777 CO -0.97 0.06 0.00 0.77 0.00 0.00 0.00 178.15 178.01 1waf h SER 778 N 0.31 0.00 -0.00 1.72 4.64 -1.43 -1.47 113.55 117.32 1waf h SER 778 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1waf h SER 778 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1waf h SER 778 CO -0.44 0.00 -0.63 2.30 -0.87 0.00 0.00 176.83 177.19 1waf n ILE 779 N -2.32 0.00 -1.22 0.95 -5.35 0.14 0.28 119.36 111.84 1waf n ILE 779 Ca -0.01 -0.19 -0.30 0.00 -0.27 0.00 0.00 62.75 61.98 1waf n ILE 779 Cb 0.05 1.02 0.11 0.00 -1.74 0.00 0.00 39.64 39.08 1waf n ILE 779 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1waf s ALA 780 N -2.28 1.93 -0.20 -1.28 0.00 -0.55 -4.74 121.76 114.63 1waf s ALA 780 Ca 0.06 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 1waf s ALA 780 Cb 0.11 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1waf s ALA 780 CO 0.56 -2.04 -0.06 0.45 0.00 0.00 0.00 175.76 174.66 1waf s SER 781 N -3.38 4.23 0.38 0.00 0.15 -0.99 -3.77 113.70 110.33 1waf s SER 781 Ca 0.62 -0.37 -0.08 0.00 0.70 0.00 0.00 55.95 56.82 1waf s SER 781 Cb -0.18 -1.71 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1waf s SER 781 CO 0.56 0.03 0.70 0.54 1.20 0.00 0.00 173.24 176.27 1waf s VAL 782 N 1.20 4.89 -0.28 4.45 0.11 -0.73 -3.98 120.40 126.05 1waf s VAL 782 Ca 0.02 0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 59.15 1waf s VAL 782 Cb -0.14 -3.76 0.18 0.00 -1.53 0.00 0.00 36.38 31.12 1waf s VAL 782 CO -0.02 -0.53 1.34 -0.94 -3.33 0.00 0.00 175.10 171.63 1waf s SER 783 N -3.37 -0.11 0.34 3.54 1.04 -1.16 -3.75 113.70 110.24 1waf s SER 783 Ca 0.48 0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.83 1waf s SER 783 Cb -0.10 0.18 -0.09 0.00 0.10 0.00 0.00 66.02 66.10 1waf s SER 783 CO 0.34 -0.06 1.13 -0.44 0.98 0.00 0.00 173.24 175.18 1waf s SER 784 N -0.34 6.93 -0.86 7.02 0.01 -1.26 -2.02 113.70 123.18 1waf s SER 784 Ca 0.07 2.28 -0.15 0.00 1.31 0.00 0.00 55.95 59.46 1waf s SER 784 Cb -0.03 -2.62 0.21 0.00 0.21 0.00 0.00 66.02 63.79 1waf s SER 784 CO -0.11 -0.39 0.84 0.00 0.41 0.00 0.00 173.24 173.99 1waf s ALA 785 N -1.33 3.99 -0.74 1.44 0.00 -1.26 -4.86 121.76 119.01 1waf s ALA 785 Ca 0.51 -3.25 -0.06 0.00 0.00 0.00 0.00 51.96 49.15 1waf s ALA 785 Cb -0.30 -3.61 -0.11 0.00 0.00 0.00 0.00 23.12 19.10 1waf s ALA 785 CO 0.39 -2.39 2.51 0.09 0.00 0.00 0.00 175.76 176.36 1waf n ASN 786 N 4.35 5.32 -0.15 0.00 3.02 -1.26 -3.03 115.26 123.52 1waf n ASN 786 Ca 0.16 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.38 1waf n ASN 786 Cb 0.47 -1.16 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 1waf n ASN 786 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1waf n ASN 787 N 3.50 0.00 -0.47 6.41 5.15 -1.24 -4.59 115.26 124.02 1waf n ASN 787 Ca 0.47 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.46 1waf n ASN 787 Cb 0.34 -0.26 0.04 0.00 -0.53 0.00 0.00 39.78 39.37 1waf n ASN 787 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1waf n ILE 788 N -0.15 0.22 0.21 -1.44 -5.35 -1.26 -2.90 119.36 108.70 1waf n ILE 788 Ca 0.00 -0.13 0.10 0.00 -0.27 0.00 0.00 62.75 62.45 1waf n ILE 788 Cb 0.00 -0.29 0.64 0.00 -1.74 0.00 0.00 39.64 38.25 1waf n ILE 788 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1waf h ALA 789 N 2.53 2.07 0.15 -1.28 0.00 -1.92 -1.77 119.26 119.05 1waf h ALA 789 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1waf h ALA 789 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1waf h ALA 789 CO 0.03 -0.09 -0.32 0.87 0.00 0.00 0.00 179.25 179.74 1waf h LYS 790 N 0.02 -0.50 -0.63 0.00 1.57 -1.93 -2.53 116.57 112.57 1waf h LYS 790 Ca 0.04 0.03 0.18 0.00 -1.87 0.00 0.00 60.65 59.04 1waf h LYS 790 Cb 0.15 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1waf h LYS 790 CO -0.00 -0.33 0.79 0.10 -0.57 0.00 0.00 179.45 179.44 1waf h TYR 791 N -0.52 0.00 0.00 -1.35 -0.00 -1.59 0.54 116.97 114.05 1waf h TYR 791 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.71 1waf h TYR 791 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.22 1waf h TYR 791 CO -0.32 0.00 -0.95 -0.25 -0.00 0.00 0.00 178.16 176.64 1waf n ASP 792 N -3.39 0.93 -4.54 0.10 8.00 -0.98 -4.77 116.55 111.90 1waf n ASP 792 Ca 0.13 -0.95 -0.22 0.00 0.71 0.00 0.00 54.79 54.46 1waf n ASP 792 Cb 1.01 1.01 -0.09 0.00 -0.02 0.00 0.00 41.12 43.03 1waf n ASP 792 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1waf n VAL 793 N -1.48 0.91 -1.92 2.53 0.31 0.18 -4.38 118.33 114.48 1waf n VAL 793 Ca 0.04 -0.94 -0.38 0.00 -0.01 0.00 0.00 64.34 63.05 1waf n VAL 793 Cb 0.31 -2.08 0.04 0.00 -0.91 0.00 0.00 33.84 31.20 1waf n VAL 793 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1waf n GLY 794 N 5.92 5.64 5.00 2.92 0.00 -1.26 -4.82 105.19 118.59 1waf n GLY 794 Ca 0.43 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1waf n GLY 794 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1waf n GLY 795 N -0.58 1.93 0.00 -0.02 0.00 -1.26 -4.60 105.19 100.66 1waf n GLY 795 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1waf n GLY 795 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1waf n PHE 796 N 0.00 -0.08 0.00 1.61 3.01 -1.26 -5.04 117.46 115.69 1waf n PHE 796 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1waf n PHE 796 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1waf n PHE 796 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1waf n PRO 797 N -0.03 0.00 0.00 -1.08 -0.04 -1.26 -4.40 135.00 128.19 1waf n PRO 797 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1waf n PRO 797 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1waf n PRO 797 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1waf n GLY 798 N 1.91 2.84 0.55 0.55 0.00 -1.26 -4.06 105.19 105.71 1waf n GLY 798 Ca 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 1waf n GLY 798 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1waf n PRO 799 N 0.00 0.00 -1.03 1.61 -0.02 -1.26 -3.57 135.00 130.73 1waf n PRO 799 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1waf n PRO 799 Cb 0.00 -0.17 -0.00 0.00 -0.02 0.00 0.00 33.50 33.31 1waf n PRO 799 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1waf n LYS 800 N 0.29 -0.16 -4.08 -0.52 4.81 -1.26 -5.02 118.16 112.22 1waf n LYS 800 Ca 0.01 0.29 -0.36 0.00 -0.87 0.00 0.00 58.31 57.38 1waf n LYS 800 Cb 0.08 -3.63 -0.08 0.00 0.02 0.00 0.00 35.03 31.43 1waf n LYS 800 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1waf s PRO 802 N -0.82 1.73 0.08 0.00 0.05 -1.26 -4.93 135.00 129.85 1waf s PRO 802 Ca 0.13 -0.55 -0.25 0.00 0.05 0.00 0.00 61.00 60.38 1waf s PRO 802 Cb -0.12 -2.16 -0.10 0.00 0.05 0.00 0.00 34.50 32.17 1waf s PRO 802 CO 0.03 -1.53 1.40 0.35 0.05 0.00 0.00 177.00 177.30 1waf h PHE 803 N -0.77 -1.14 0.00 0.56 3.57 -1.99 -2.08 116.94 115.09 1waf h PHE 803 Ca -0.42 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1waf h PHE 803 Cb 1.28 0.49 0.00 0.00 2.79 0.00 0.00 35.95 40.52 1waf h PHE 803 CO -0.14 -0.42 0.00 0.72 -2.23 0.00 0.00 178.31 176.24 1waf n HIS 804 N -4.64 0.00 0.19 0.41 8.25 -1.26 -0.16 115.22 118.01 1waf n HIS 804 Ca -0.05 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.59 1waf n HIS 804 Cb 0.29 0.00 0.78 0.00 1.12 0.00 0.00 29.99 32.18 1waf n HIS 804 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1waf h ILE 805 N 0.00 0.24 0.38 1.59 2.04 -1.93 0.30 117.51 120.13 1waf h ILE 805 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1waf h ILE 805 Cb 0.00 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1waf h ILE 805 CO 0.00 0.00 -0.18 -0.09 0.00 0.00 0.00 178.15 177.88 1waf h ARG 806 N 0.00 -0.50 -0.13 2.37 9.65 0.19 -1.53 114.38 124.43 1waf h ARG 806 Ca 0.11 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.07 1waf h ARG 806 Cb 0.89 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 1waf h ARG 806 CO -0.00 -0.22 0.11 0.78 2.80 0.00 0.00 179.97 183.44 1waf h GLY 807 N -0.73 0.00 0.49 2.80 0.00 0.19 -0.72 103.07 105.10 1waf h GLY 807 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.18 1waf h GLY 807 CO 0.09 0.00 -0.40 -2.22 0.00 0.00 0.00 176.54 174.01 1waf h ILE 808 N 0.00 1.56 0.11 2.60 2.04 -1.20 -1.80 117.51 120.81 1waf h ILE 808 Ca 0.06 -2.16 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 1waf h ILE 808 Cb 0.28 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 1waf h ILE 808 CO -0.00 0.60 -0.05 0.25 0.00 0.00 0.00 178.15 178.94 1waf h LEU 809 N -0.48 -0.12 -1.21 1.44 6.46 -0.42 -0.97 115.31 120.01 1waf h LEU 809 Ca -0.06 -0.16 0.22 0.00 -0.12 0.00 0.00 57.88 57.75 1waf h LEU 809 Cb 1.20 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 41.06 1waf h LEU 809 CO 0.08 0.09 0.62 0.00 -0.62 0.00 0.00 178.44 178.61 1waf h THR 810 N -0.34 0.64 0.17 1.05 1.03 -1.29 -1.07 112.91 113.10 1waf h THR 810 Ca -0.02 -0.20 -0.01 0.00 -0.01 0.00 0.00 66.41 66.18 1waf h THR 810 Cb 0.28 0.01 -0.00 0.00 -1.07 0.00 0.00 68.15 67.37 1waf h THR 810 CO 0.02 0.11 -0.14 0.22 -0.01 0.00 0.00 175.52 175.72 1waf h TYR 811 N 0.58 -0.38 -0.44 0.00 5.03 -0.89 -2.33 116.97 118.54 1waf h TYR 811 Ca 0.57 0.00 0.13 0.00 2.58 0.00 0.00 58.73 62.00 1waf h TYR 811 Cb 1.14 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 39.54 1waf h TYR 811 CO -0.00 -0.19 0.53 -0.91 -1.32 0.00 0.00 178.16 176.26 1waf h ASN 812 N -0.30 0.00 0.00 -2.11 2.35 -0.02 0.76 115.58 116.27 1waf h ASN 812 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1waf h ASN 812 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1waf h ASN 812 CO -0.00 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.32 1waf n ARG 813 N -3.57 0.87 -0.05 0.81 1.74 -0.56 -2.41 116.66 113.49 1waf n ARG 813 Ca 0.08 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.10 1waf n ARG 813 Cb 0.71 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.67 1waf n ARG 813 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1waf n ALA 814 N -0.92 1.75 1.92 7.54 0.00 0.26 -4.50 120.51 126.57 1waf n ALA 814 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1waf n ALA 814 Cb 0.08 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1waf n ALA 814 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1waf n ILE 815 N -2.60 0.00 -0.30 0.00 -0.00 -0.99 -4.02 119.36 111.45 1waf n ILE 815 Ca -0.18 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.70 1waf n ILE 815 Cb 0.77 -0.03 0.30 0.00 -0.00 0.00 0.00 39.64 40.68 1waf n ILE 815 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1waf h LYS 816 N 0.00 0.27 -4.38 0.38 1.57 -1.71 -3.19 116.57 109.50 1waf h LYS 816 Ca 0.00 -0.02 -0.73 0.00 -1.87 0.00 0.00 60.65 58.03 1waf h LYS 816 Cb 0.01 -0.06 -0.22 0.00 0.08 0.00 0.00 32.23 32.04 1waf h LYS 816 CO 0.00 0.18 -0.26 0.20 -0.57 0.00 0.00 179.45 179.00 1waf s GLY 817 N -3.89 2.01 0.00 3.86 0.00 -1.26 -5.00 107.32 103.05 1waf s GLY 817 Ca -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 42.50 1waf s GLY 817 CO 0.77 1.13 0.30 0.70 0.00 0.00 0.00 173.10 176.00 1waf n ASN 818 N 5.36 0.00 0.00 1.64 3.02 -1.21 -4.91 115.26 119.17 1waf n ASN 818 Ca -0.12 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1waf n ASN 818 Cb 0.44 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1waf n ASN 818 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1waf n ILE 819 N -1.50 0.00 0.00 2.41 5.41 -1.26 -4.02 119.36 120.40 1waf n ILE 819 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1waf n ILE 819 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1waf n ILE 819 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1waf n ASP 820 N 0.00 0.00 -0.29 4.38 9.92 -1.26 -4.69 116.55 124.61 1waf n ASP 820 Ca 0.00 0.00 0.31 0.00 -0.53 0.00 0.00 54.79 54.57 1waf n ASP 820 Cb 0.00 0.00 0.70 0.00 -0.64 0.00 0.00 41.12 41.18 1waf n ASP 820 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1waf h ALA 821 N 0.00 2.88 -2.14 2.24 0.00 -1.99 -3.38 119.26 116.86 1waf h ALA 821 Ca 0.00 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.28 1waf h ALA 821 Cb 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 1waf h ALA 821 CO 0.00 -1.22 0.36 -1.25 0.00 0.00 0.00 179.25 177.14 1waf s PRO 822 N -5.07 3.65 0.90 0.00 0.04 -1.26 -4.95 135.00 128.32 1waf s PRO 822 Ca -0.06 0.18 -0.12 0.00 0.04 0.00 0.00 61.00 61.04 1waf s PRO 822 Cb 0.23 -3.85 0.13 0.00 0.04 0.00 0.00 34.50 31.06 1waf s PRO 822 CO 0.80 -0.92 1.10 -1.14 0.04 0.00 0.00 177.00 176.87 1waf s GLN 823 N 3.14 1.19 0.25 4.56 0.74 -1.26 -4.94 119.66 123.34 1waf s GLN 823 Ca 0.31 0.71 0.11 0.00 0.05 0.00 0.00 55.36 56.53 1waf s GLN 823 Cb -0.13 -1.81 -0.05 0.00 1.10 0.00 0.00 33.01 32.12 1waf s GLN 823 CO 0.19 -2.26 -0.15 0.14 -0.55 0.00 0.00 175.29 172.66 1waf s VAL 824 N -2.99 2.76 -0.52 1.34 -7.23 -1.26 -5.03 120.40 107.47 1waf s VAL 824 Ca 0.63 -2.14 -0.25 0.00 -1.81 0.00 0.00 61.98 58.41 1waf s VAL 824 Cb -0.17 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.37 1waf s VAL 824 CO 0.56 -0.31 0.95 -0.69 -0.31 0.00 0.00 175.10 175.30 1waf s VAL 825 N -2.23 4.40 -0.45 1.32 1.01 -1.26 -4.55 120.40 118.64 1waf s VAL 825 Ca 0.28 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 1waf s VAL 825 Cb -0.06 -4.51 0.08 0.00 0.00 0.00 0.00 36.38 31.89 1waf s VAL 825 CO 0.15 -1.03 0.34 -0.70 0.00 0.00 0.00 175.10 173.86 1waf s GLU 826 N 3.93 2.80 0.00 2.72 2.12 -1.26 -4.88 118.70 124.13 1waf s GLU 826 Ca 0.33 -1.43 0.00 0.00 0.36 0.00 0.00 54.97 54.23 1waf s GLU 826 Cb -0.11 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.29 1waf s GLU 826 CO 0.22 -1.02 0.00 0.41 -0.54 0.00 0.00 175.26 174.33 1waf n GLY 827 N 5.07 0.00 3.59 -1.50 0.00 -1.26 -4.78 105.19 106.31 1waf n GLY 827 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1waf n GLY 827 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1waf s GLU 828 N -0.12 0.75 0.00 1.61 2.56 -1.17 -3.68 118.70 118.65 1waf s GLU 828 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 54.97 55.98 1waf s GLU 828 Cb 0.00 0.30 0.00 0.00 2.00 0.00 0.00 34.13 36.43 1waf s GLU 828 CO 0.00 -0.11 0.00 1.63 -0.56 0.00 0.00 175.26 176.22 1waf n LYS 829 N 3.20 0.00 -4.44 4.30 5.02 -1.26 -4.72 118.16 120.26 1waf n LYS 829 Ca -0.16 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.90 1waf n LYS 829 Cb 0.56 -0.27 -0.09 0.00 -0.02 0.00 0.00 35.03 35.21 1waf n LYS 829 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1waf s VAL 830 N 0.00 0.52 -0.19 -0.18 1.01 -0.86 -1.71 120.40 118.99 1waf s VAL 830 Ca 0.00 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 59.83 1waf s VAL 830 Cb 0.00 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 1waf s VAL 830 CO 0.00 0.00 -0.11 -1.22 0.00 0.00 0.00 175.10 173.77 1waf n TYR 831 N -0.77 0.69 -1.38 5.22 4.01 0.25 -2.96 117.16 122.22 1waf n TYR 831 Ca -0.02 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 58.02 1waf n TYR 831 Cb 0.65 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 1waf n TYR 831 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1waf n VAL 832 N -4.49 -6.87 -3.64 -0.72 0.31 -1.13 -2.34 118.33 99.45 1waf n VAL 832 Ca -0.22 2.02 -0.08 0.00 -0.01 0.00 0.00 64.34 66.05 1waf n VAL 832 Cb 0.51 -3.47 -0.07 0.00 -0.91 0.00 0.00 33.84 29.90 1waf n VAL 832 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1waf s LEU 833 N -1.02 -0.87 0.00 7.52 1.43 0.24 -2.91 118.68 123.07 1waf s LEU 833 Ca 0.00 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1waf s LEU 833 Cb 0.00 2.36 0.00 0.00 0.03 0.00 0.00 46.19 48.58 1waf s LEU 833 CO 0.00 -0.23 0.27 -2.65 0.23 0.00 0.00 176.35 173.97 1waf n PRO 834 N 3.88 0.00 -1.16 1.29 -0.02 -1.26 -1.74 135.00 135.98 1waf n PRO 834 Ca -0.18 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1waf n PRO 834 Cb 0.58 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 1waf n PRO 834 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1waf n LEU 835 N -1.38 -3.34 -4.76 2.45 4.77 -1.26 -1.46 117.00 112.02 1waf n LEU 835 Ca 0.00 0.97 -0.37 0.00 -0.03 0.00 0.00 56.01 56.58 1waf n LEU 835 Cb 0.00 -1.68 0.02 0.00 -2.33 0.00 0.00 43.42 39.43 1waf n LEU 835 CO 0.00 -0.69 0.88 -0.13 -1.33 0.00 0.00 177.39 176.12 1waf s ARG 836 N -1.99 3.26 0.63 3.23 0.52 -0.72 -4.45 118.95 119.43 1waf s ARG 836 Ca 0.00 1.94 -0.17 0.00 -0.52 0.00 0.00 55.73 56.99 1waf s ARG 836 Cb 0.00 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 1waf s ARG 836 CO 0.00 -1.01 1.15 -1.83 0.02 0.00 0.00 175.30 173.63 1waf s GLU 837 N -3.00 2.83 0.00 3.54 -1.05 -1.26 -3.70 118.70 116.06 1waf s GLU 837 Ca 0.71 1.59 0.00 0.00 -0.15 0.00 0.00 54.97 57.12 1waf s GLU 837 Cb -0.33 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 31.42 1waf s GLU 837 CO 0.38 -1.26 0.00 0.41 0.95 0.00 0.00 175.26 175.74 1waf n GLY 838 N -0.00 0.48 3.85 -3.83 0.00 -1.26 -5.04 105.19 99.38 1waf n GLY 838 Ca 0.12 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1waf n GLY 838 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1waf s ASN 839 N -2.90 6.67 0.00 1.61 2.20 -1.24 -4.92 114.94 116.36 1waf s ASN 839 Ca 0.00 1.35 -0.03 0.00 -0.94 0.00 0.00 52.86 53.25 1waf s ASN 839 Cb 0.00 -2.41 -0.12 0.00 -2.00 0.00 0.00 41.25 36.72 1waf s ASN 839 CO 0.00 -0.38 2.36 -0.81 -2.94 0.00 0.00 177.10 175.33 1waf n PRO 840 N -1.02 1.23 0.00 3.55 -0.04 -1.26 -3.73 135.00 133.74 1waf n PRO 840 Ca 0.04 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1waf n PRO 840 Cb 0.54 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1waf n PRO 840 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1waf n PHE 841 N 2.16 0.00 0.00 0.54 3.01 -1.26 -5.14 117.46 116.76 1waf n PHE 841 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1waf n PHE 841 Cb 0.58 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 1waf n PHE 841 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1waf n GLY 842 N 1.83 -1.08 0.60 1.37 0.00 -1.24 -5.01 105.19 101.66 1waf n GLY 842 Ca 0.00 -1.34 0.08 0.00 0.00 0.00 0.00 46.02 44.76 1waf n GLY 842 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1waf n ASP 843 N -0.69 -3.61 -3.44 1.61 8.00 -1.26 -4.84 116.55 112.32 1waf n ASP 843 Ca 0.00 0.36 -0.25 0.00 0.71 0.00 0.00 54.79 55.61 1waf n ASP 843 Cb 0.00 -1.91 -0.11 0.00 -0.02 0.00 0.00 41.12 39.08 1waf n ASP 843 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1waf s LYS 844 N -2.17 0.54 0.00 -1.24 1.02 -1.26 -4.85 119.74 111.77 1waf s LYS 844 Ca 0.00 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.86 1waf s LYS 844 Cb 0.00 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.19 1waf s LYS 844 CO 0.00 -1.19 0.00 0.00 -0.92 0.00 0.00 175.35 173.24 1waf s ILE 846 N -1.13 1.09 0.03 0.00 1.01 -0.71 -3.87 121.20 117.62 1waf s ILE 846 Ca 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 60.65 58.65 1waf s ILE 846 Cb 0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1waf s ILE 846 CO 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 174.94 174.19 1waf s ALA 847 N -3.22 0.18 0.07 9.38 0.00 -0.72 0.83 121.76 128.27 1waf s ALA 847 Ca 0.15 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1waf s ALA 847 Cb 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 1waf s ALA 847 CO -0.00 -0.22 0.14 1.67 0.00 0.00 0.00 175.76 177.35 1waf s TRP 848 N -2.07 0.21 0.18 0.00 -2.14 -1.26 -4.57 118.94 109.28 1waf s TRP 848 Ca -0.10 -0.62 -0.26 0.00 2.66 0.00 0.00 56.10 57.78 1waf s TRP 848 Cb -0.05 -0.12 -0.16 0.00 -3.10 0.00 0.00 33.47 30.04 1waf s TRP 848 CO -0.03 -0.48 0.48 -2.30 -2.66 0.00 0.00 176.95 171.96 1waf n PRO 849 N 0.17 0.00 -1.44 3.25 -0.02 -1.26 0.85 135.00 136.55 1waf n PRO 849 Ca -0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.00 1waf n PRO 849 Cb 0.61 -0.92 0.08 0.00 -0.02 0.00 0.00 33.50 33.25 1waf n PRO 849 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1waf s SER 850 N -0.90 4.72 0.00 2.55 1.04 -0.70 -3.40 113.70 117.01 1waf s SER 850 Ca 0.59 1.89 0.00 0.00 0.48 0.00 0.00 55.95 58.91 1waf s SER 850 Cb -0.85 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 62.74 1waf s SER 850 CO 0.51 -1.89 0.00 0.61 0.98 0.00 0.00 173.24 173.45 1waf n GLY 851 N -0.96 2.16 3.93 7.32 0.00 -1.26 -4.97 105.19 111.42 1waf n GLY 851 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1waf n GLY 851 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1waf s THR 852 N -0.42 4.14 0.06 2.61 -4.23 -1.22 -4.99 115.64 111.59 1waf s THR 852 Ca 0.00 -0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1waf s THR 852 Cb 0.00 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.28 1waf s THR 852 CO 0.00 -0.49 0.09 -0.62 -0.54 0.00 0.00 174.62 173.05 1waf n GLU 853 N -2.26 0.37 -4.73 3.99 -0.58 -1.26 -5.00 120.64 111.17 1waf n GLU 853 Ca 0.02 -0.20 -0.26 0.00 -0.42 0.00 0.00 57.16 56.30 1waf n GLU 853 Cb 0.57 -0.07 -0.14 0.00 -0.57 0.00 0.00 31.44 31.23 1waf n GLU 853 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1waf s ILE 854 N -0.37 1.69 -0.19 -3.67 1.01 -1.26 -4.98 121.20 113.43 1waf s ILE 854 Ca 0.05 -1.15 -0.34 0.00 0.00 0.00 0.00 60.65 59.21 1waf s ILE 854 Cb -0.00 -1.46 -0.11 0.00 0.01 0.00 0.00 42.46 40.90 1waf s ILE 854 CO 0.04 0.26 2.02 0.41 0.00 0.00 0.00 174.94 177.67 1waf n THR 855 N 1.97 0.42 -0.33 2.92 -1.04 -1.26 -4.50 114.28 112.46 1waf n THR 855 Ca -0.17 -0.21 0.31 0.00 -2.04 0.00 0.00 64.05 61.94 1waf n THR 855 Cb 0.53 -1.91 0.55 0.00 -1.82 0.00 0.00 70.33 67.68 1waf n THR 855 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1waf n ASP 856 N 8.41 0.28 -0.25 8.00 8.00 -1.26 -0.43 116.55 139.29 1waf n ASP 856 Ca 0.29 1.42 0.03 0.00 0.71 0.00 0.00 54.79 57.24 1waf n ASP 856 Cb 0.30 -0.69 0.16 0.00 -0.02 0.00 0.00 41.12 40.87 1waf n ASP 856 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1waf h LEU 857 N 0.00 0.40 0.07 0.64 -0.00 -2.02 -3.02 115.31 111.38 1waf h LEU 857 Ca 0.77 0.08 -0.37 0.00 -0.00 0.00 0.00 57.88 58.36 1waf h LEU 857 Cb 2.18 0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 42.83 1waf h LEU 857 CO -0.61 0.20 -2.18 2.30 -0.00 0.00 0.00 178.44 178.15 1waf n ILE 858 N -4.92 1.66 0.00 0.15 -5.35 0.32 -4.66 119.36 106.56 1waf n ILE 858 Ca 0.12 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1waf n ILE 858 Cb 0.33 -1.62 0.00 0.00 -1.74 0.00 0.00 39.64 36.62 1waf n ILE 858 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1waf n LYS 859 N -3.42 0.00 -0.50 6.28 0.00 0.42 -0.50 118.16 120.45 1waf n LYS 859 Ca -0.38 0.23 0.43 0.00 0.00 0.00 0.00 58.31 58.59 1waf n LYS 859 Cb 1.02 -0.42 0.78 0.00 0.00 0.00 0.00 35.03 36.41 1waf n LYS 859 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1waf h ASP 860 N 0.00 0.01 0.24 3.14 5.19 -1.82 -0.99 116.42 122.19 1waf h ASP 860 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1waf h ASP 860 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1waf h ASP 860 CO 0.00 -0.00 -0.12 0.44 -3.12 0.00 0.00 179.24 176.44 1waf h ASP 861 N 0.01 -0.28 0.00 6.45 3.32 -1.07 -2.94 116.42 121.91 1waf h ASP 861 Ca 0.74 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.71 1waf h ASP 861 Cb 2.94 0.07 0.00 0.00 0.22 0.00 0.00 39.33 42.56 1waf h ASP 861 CO -0.02 0.21 0.00 0.52 -1.72 0.00 0.00 179.24 178.23 1waf n VAL 862 N -4.99 0.00 -0.24 -1.35 0.31 -0.38 0.49 118.33 112.17 1waf n VAL 862 Ca -0.05 0.97 0.10 0.00 -0.01 0.00 0.00 64.34 65.35 1waf n VAL 862 Cb 0.17 -1.31 0.38 0.00 -0.91 0.00 0.00 33.84 32.17 1waf n VAL 862 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1waf h LEU 863 N 0.00 0.64 -0.64 7.52 4.07 -1.70 1.20 115.31 126.39 1waf h LEU 863 Ca 0.00 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1waf h LEU 863 Cb 0.00 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 1waf h LEU 863 CO 0.00 0.36 0.39 -0.74 -1.08 0.00 0.00 178.44 177.37 1waf h HIS 864 N 0.70 0.84 -0.15 1.13 -0.00 -0.48 -2.95 115.15 114.24 1waf h HIS 864 Ca 0.40 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.57 1waf h HIS 864 Cb 0.58 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1waf h HIS 864 CO -0.00 0.57 -0.70 -1.49 -0.00 0.00 0.00 177.93 176.30 1waf h TRP 865 N 0.87 0.86 -0.08 5.26 -0.00 0.63 -3.48 115.95 120.02 1waf h TRP 865 Ca 0.23 -0.36 -0.06 0.00 -0.00 0.00 0.00 58.89 58.70 1waf h TRP 865 Cb -0.04 -0.14 0.01 0.00 -0.00 0.00 0.00 29.16 28.99 1waf h TRP 865 CO -0.02 1.16 -0.01 -0.12 -0.00 0.00 0.00 178.44 179.45 1waf n MET 866 N -3.92 0.00 -3.17 0.49 1.56 0.27 -1.76 117.12 110.59 1waf n MET 866 Ca -0.05 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.95 1waf n MET 866 Cb 0.70 -0.10 -0.07 0.00 2.15 0.00 0.00 33.22 35.89 1waf n MET 866 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1waf s ASP 867 N -0.02 6.32 -0.02 6.12 -1.08 -1.26 -4.26 116.67 122.47 1waf s ASP 867 Ca 0.06 -0.22 -0.01 0.00 -0.52 0.00 0.00 52.55 51.87 1waf s ASP 867 Cb -0.09 -2.29 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 1waf s ASP 867 CO 0.04 -0.64 0.16 1.88 0.52 0.00 0.00 175.17 177.14 1waf h TYR 868 N 8.68 -0.04 -0.89 -5.34 -1.99 -1.96 -3.16 116.97 112.27 1waf h TYR 868 Ca -0.26 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.55 1waf h TYR 868 Cb 1.11 0.01 -0.11 0.00 2.00 0.00 0.00 36.73 39.74 1waf h TYR 868 CO 0.72 -0.02 -0.51 0.25 -0.00 0.00 0.00 178.16 178.60 1waf n THR 869 N -2.58 -0.59 -0.07 -2.88 -2.24 -1.26 -1.74 114.28 102.93 1waf n THR 869 Ca -0.00 2.14 -0.07 0.00 -2.27 0.00 0.00 64.05 63.85 1waf n THR 869 Cb 0.02 -2.67 -0.05 0.00 -2.10 0.00 0.00 70.33 65.53 1waf n THR 869 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1waf h VAL 870 N 0.00 0.00 -0.88 2.28 2.07 -2.00 -1.79 116.25 115.93 1waf h VAL 870 Ca 0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.80 1waf h VAL 870 Cb 0.38 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.02 1waf h VAL 870 CO -0.84 0.00 -0.39 -0.11 0.02 0.00 0.00 177.57 176.25 1waf n LEU 871 N -3.99 -0.68 0.05 2.57 0.00 -0.73 -0.94 117.00 113.28 1waf n LEU 871 Ca -0.02 1.54 -0.11 0.00 0.00 0.00 0.00 56.01 57.43 1waf n LEU 871 Cb 0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 43.42 43.23 1waf n LEU 871 CO 0.00 -1.35 0.70 0.25 0.00 0.00 0.00 177.39 176.99 1waf h LEU 872 N 0.00 -0.73 0.13 -1.96 6.46 -0.62 0.01 115.31 118.60 1waf h LEU 872 Ca 0.26 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 58.13 1waf h LEU 872 Cb 0.48 0.31 -0.05 0.00 -0.73 0.00 0.00 40.66 40.67 1waf h LEU 872 CO -0.86 -0.31 -0.53 -0.33 -0.62 0.00 0.00 178.44 175.79 1waf h GLU 873 N -0.37 -0.74 0.44 1.25 5.08 -0.23 0.62 114.58 120.64 1waf h GLU 873 Ca 0.07 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1waf h GLU 873 Cb 0.46 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1waf h GLU 873 CO -0.24 -0.49 -0.45 -0.22 -1.00 0.00 0.00 179.01 176.61 1waf h LYS 874 N -0.76 -0.87 0.25 2.33 1.63 -1.23 0.24 116.57 118.16 1waf h LYS 874 Ca -0.01 0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1waf h LYS 874 Cb 0.77 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 1waf h LYS 874 CO -0.28 -0.58 -0.12 1.79 -3.45 0.00 0.00 179.45 176.80 1waf h THR 875 N -0.91 0.79 0.00 1.00 1.35 -0.90 -3.39 112.91 110.86 1waf h THR 875 Ca -0.04 -0.24 -0.11 0.00 -0.55 0.00 0.00 66.41 65.46 1waf h THR 875 Cb 0.80 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 1waf h THR 875 CO -0.07 0.05 -1.12 0.33 -0.25 0.00 0.00 175.52 174.46 1waf n PHE 876 N -5.18 0.00 0.09 4.73 7.35 0.20 -4.60 117.46 120.05 1waf n PHE 876 Ca -0.09 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.48 1waf n PHE 876 Cb 0.19 -0.33 -0.05 0.00 0.35 0.00 0.00 39.48 39.65 1waf n PHE 876 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1waf h ILE 877 N -0.42 0.51 -0.26 -2.13 2.04 -1.04 -2.32 117.51 113.89 1waf h ILE 877 Ca -0.17 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.73 1waf h ILE 877 Cb 0.90 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1waf h ILE 877 CO -0.10 0.00 -0.44 0.50 0.00 0.00 0.00 178.15 178.11 1waf h LYS 878 N -0.38 -0.35 -0.48 2.37 3.64 -0.71 0.61 116.57 121.28 1waf h LYS 878 Ca 0.04 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1waf h LYS 878 Cb 0.42 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1waf h LYS 878 CO -0.15 -0.23 0.29 -1.00 -2.27 0.00 0.00 179.45 176.09 1waf h PRO 879 N -0.36 0.57 -0.15 1.90 0.13 -1.77 -2.16 132.00 130.16 1waf h PRO 879 Ca 0.05 -0.03 0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1waf h PRO 879 Cb 0.49 -0.13 -0.07 0.00 0.13 0.00 0.00 31.00 31.43 1waf h PRO 879 CO -0.44 0.38 -0.35 1.25 -0.23 0.00 0.00 178.00 178.61 1waf h LEU 880 N 0.59 -1.09 -0.89 1.56 6.46 -0.76 -1.08 115.31 120.11 1waf h LEU 880 Ca 0.19 0.16 0.13 0.00 -0.12 0.00 0.00 57.88 58.23 1waf h LEU 880 Cb -0.01 0.46 -0.14 0.00 -0.73 0.00 0.00 40.66 40.24 1waf h LEU 880 CO -0.07 -0.38 -0.38 1.21 -0.62 0.00 0.00 178.44 178.20 1waf n GLU 881 N -5.42 -0.25 -0.04 1.25 4.07 0.21 -1.01 120.64 119.46 1waf n GLU 881 Ca -0.03 1.36 -0.08 0.00 -0.06 0.00 0.00 57.16 58.35 1waf n GLU 881 Cb 0.34 -2.02 -0.05 0.00 -0.06 0.00 0.00 31.44 29.64 1waf n GLU 881 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1waf h GLY 882 N 0.00 -1.36 -0.34 8.31 0.00 -0.59 -2.91 103.07 106.18 1waf h GLY 882 Ca 0.28 0.72 0.03 0.00 0.00 0.00 0.00 47.33 48.36 1waf h GLY 882 CO -0.87 -0.39 -0.20 0.69 0.00 0.00 0.00 176.54 175.77 1waf n PHE 883 N -4.14 -0.15 -0.15 5.60 3.01 -0.18 -1.27 117.46 120.18 1waf n PHE 883 Ca -0.03 0.42 -0.04 0.00 1.01 0.00 0.00 57.45 58.81 1waf n PHE 883 Cb 0.20 -0.46 -0.03 0.00 -0.01 0.00 0.00 39.48 39.18 1waf n PHE 883 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1waf n THR 884 N -3.73 -0.24 -0.27 4.37 -2.24 -1.01 -0.40 114.28 110.76 1waf n THR 884 Ca 0.01 1.74 -0.01 0.00 -2.27 0.00 0.00 64.05 63.52 1waf n THR 884 Cb 0.09 -2.24 0.06 0.00 -2.10 0.00 0.00 70.33 66.13 1waf n THR 884 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1waf h SER 885 N 0.00 -1.02 0.82 3.42 0.02 -1.06 1.09 113.55 116.83 1waf h SER 885 Ca 0.06 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1waf h SER 885 Cb 0.14 0.58 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1waf h SER 885 CO -0.33 -0.28 -0.43 0.00 -1.14 0.00 0.00 176.83 174.65 1waf h ALA 886 N 1.44 -1.29 0.00 3.77 0.00 -0.47 -2.19 119.26 120.52 1waf h ALA 886 Ca 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1waf h ALA 886 Cb 0.58 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1waf h ALA 886 CO -0.81 -1.22 0.00 0.00 0.00 0.00 0.00 179.25 177.22 1waf n ALA 887 N -2.62 1.68 -2.60 0.00 0.00 0.47 -3.21 120.51 114.24 1waf n ALA 887 Ca -0.14 -0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1waf n ALA 887 Cb 0.46 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.79 1waf n ALA 887 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1waf n LYS 888 N -1.23 -2.56 -4.40 0.00 4.76 0.35 -4.10 118.16 110.97 1waf n LYS 888 Ca 0.05 0.43 -0.25 0.00 -2.87 0.00 0.00 58.31 55.68 1waf n LYS 888 Cb 0.07 -4.02 -0.07 0.00 -1.84 0.00 0.00 35.03 29.17 1waf n LYS 888 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1waf n LEU 889 N -2.51 0.00 -3.91 -0.35 4.77 0.67 -4.95 117.00 110.72 1waf n LEU 889 Ca -0.11 -3.14 -0.18 0.00 -0.03 0.00 0.00 56.01 52.55 1waf n LEU 889 Cb 0.58 1.08 -0.16 0.00 -2.33 0.00 0.00 43.42 42.59 1waf n LEU 889 CO 0.30 -0.49 -0.40 -0.62 -1.33 0.00 0.00 177.39 174.85 1waf s ASP 890 N -3.51 0.76 -0.07 -1.43 -1.08 -1.26 -4.04 116.67 106.04 1waf s ASP 890 Ca 0.22 -0.10 0.04 0.00 -0.52 0.00 0.00 52.55 52.19 1waf s ASP 890 Cb 0.01 -0.27 -0.25 0.00 -1.46 0.00 0.00 42.92 40.96 1waf s ASP 890 CO 0.16 -0.01 0.55 0.00 0.52 0.00 0.00 175.17 176.38 1waf n TYR 891 N 3.61 1.14 -4.67 -5.34 0.18 -1.26 -4.69 117.16 106.14 1waf n TYR 891 Ca -0.21 0.33 -0.33 0.00 1.88 0.00 0.00 57.90 59.57 1waf n TYR 891 Cb 0.53 -1.18 -0.15 0.00 -0.38 0.00 0.00 39.34 38.16 1waf n TYR 891 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1waf s GLU 892 N -2.58 3.24 0.52 -3.48 2.02 -1.26 -4.32 118.70 112.84 1waf s GLU 892 Ca -0.12 -0.75 -0.22 0.00 0.02 0.00 0.00 54.97 53.90 1waf s GLU 892 Cb 0.07 -2.59 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 1waf s GLU 892 CO 0.80 0.08 1.31 0.21 0.02 0.00 0.00 175.26 177.68 1waf s LYS 893 N 0.65 3.30 0.00 1.61 2.20 -1.26 -4.90 119.74 121.34 1waf s LYS 893 Ca -0.08 2.11 -0.33 0.00 -0.36 0.00 0.00 55.97 57.30 1waf s LYS 893 Cb -0.16 -2.29 -0.12 0.00 -1.51 0.00 0.00 37.83 33.75 1waf s LYS 893 CO 0.02 -1.03 1.82 1.63 -0.36 0.00 0.00 175.35 177.44 1waf n LYS 894 N -0.90 2.30 -1.52 4.03 4.76 -1.26 -4.72 118.16 120.85 1waf n LYS 894 Ca 0.10 0.84 -0.22 0.00 -2.87 0.00 0.00 58.31 56.16 1waf n LYS 894 Cb 0.46 -2.68 -0.15 0.00 -1.84 0.00 0.00 35.03 30.81 1waf n LYS 894 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1waf n ALA 895 N 5.87 0.76 -1.22 7.82 0.00 -1.26 -4.82 120.51 127.67 1waf n ALA 895 Ca 0.21 -0.98 -0.37 0.00 0.00 0.00 0.00 53.44 52.30 1waf n ALA 895 Cb 0.31 -2.75 0.05 0.00 0.00 0.00 0.00 19.45 17.07 1waf n ALA 895 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1waf n SER 896 N 11.24 -2.40 0.11 0.00 2.88 -1.26 -4.86 113.62 119.33 1waf n SER 896 Ca 0.59 0.55 -0.03 0.00 -1.33 0.00 0.00 58.87 58.64 1waf n SER 896 Cb 0.26 -1.07 0.12 0.00 -0.75 0.00 0.00 64.21 62.77 1waf n SER 896 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1waf h LEU 897 N -0.38 0.10 -1.68 2.46 4.07 -2.04 -3.30 115.31 114.54 1waf h LEU 897 Ca -0.44 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.45 1waf h LEU 897 Cb 1.36 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1waf h LEU 897 CO 0.40 0.73 0.00 0.49 -1.08 0.00 0.00 178.44 178.98 1waf n PHE 898 N -3.78 0.00 -1.01 1.13 3.01 -1.26 -4.89 117.46 110.66 1waf n PHE 898 Ca -0.02 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.13 1waf n PHE 898 Cb 0.65 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1waf n PHE 898 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1waf n ASP 899 N 0.38 0.00 0.00 4.37 8.00 -1.25 -4.04 116.55 124.02 1waf n ASP 899 Ca 0.00 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1waf n ASP 899 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1waf n ASP 899 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1waf n MET 900 N -0.84 0.00 -3.37 -1.24 2.81 -1.26 -4.90 117.12 108.32 1waf n MET 900 Ca 0.00 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 1waf n MET 900 Cb 0.00 -0.82 -0.08 0.00 -0.71 0.00 0.00 33.22 31.61 1waf n MET 900 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1waf s PHE 901 N -0.01 3.30 -0.38 2.03 0.08 -1.26 -5.05 117.98 116.69 1waf s PHE 901 Ca 0.00 0.52 -0.21 0.00 0.12 0.00 0.00 56.93 57.36 1waf s PHE 901 Cb 0.00 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.89 1waf s PHE 901 CO 0.00 -0.15 0.69 -0.51 -0.10 0.00 0.00 175.22 175.15 1waf s ASP 902 N 1.38 6.43 0.00 1.36 1.11 -1.26 -5.12 116.67 120.58 1waf s ASP 902 Ca 0.17 0.08 0.00 0.00 0.18 0.00 0.00 52.55 52.98 1waf s ASP 902 Cb -0.15 -2.35 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1waf s ASP 902 CO 0.09 -0.70 0.28 0.33 1.18 0.00 0.00 175.17 176.35